#======================================================================= #Building Units and intergrowths : #Towards the Design of an extended family of acentric Bi-based Compounds # with second harmonic generacy #M. Huve, M. Colmont, J. Lejay, P. Aschehoug and O. Mentre #======================================================================= # 1. PROCESSING SUMMARY (IUCr Office Use Only) _audit_creation_method 'Jana2000 Version : 08/11/2007' _journal_date_recd_electronic ? _journal_date_to_coeditor ? _journal_date_from_coeditor ? _journal_date_accepted ? _journal_date_printers_first ? _journal_date_printers_final ? _journal_date_proofs_out ? _journal_date_proofs_in ? _journal_coeditor_name ? _journal_coeditor_code ? _journal_coeditor_notes ; ? ; _journal_techeditor_code ? _journal_paper_category ? _journal_techeditor_notes ; ? ; _journal_coden_ASTM ? _journal_name_full 'JACS' _journal_year ? _journal_volume ? _journal_issue ? _journal_page_first ? _journal_page_last ? _journal_suppl_publ_number ? _journal_suppl_publ_pages ? #======================================================================= # 2. SUBMISSION DETAILS _publ_contact_author_name 'O. Mentre' _publ_contact_author_address ; ? ; _publ_contact_author_email 'olivier.mentre@ensc-lille.fr' _publ_contact_author_fax ? _publ_contact_author_phone ? _publ_requested_journal 'Chemistry of Materials' _publ_requested_category ? _publ_contact_letter ; ? ; #======================================================================= # 3. TITLE AND AUTHOR LIST _publ_section_title ; ? ; _publ_section_title_footnote ; ? ; loop_ _publ_author_name _publ_author_footnote _publ_author_address ? # name ; ? # footnote ; ; ? # address ; #======================================================================= # 4. TEXT _publ_section_synopsis ; ? ; _publ_section_abstract ; ? ; _publ_section_comment ; ? ; _publ_section_introduction ; ? ; _publ_section_experimental ; ? ; _publ_section_exptl_prep ; ? ; _publ_section_exptl_refinement ; ? ; _publ_section_exptl_solution ; ? ; _publ_section_discussion ; ? ; _publ_section_acknowledgements ; ? ; _publ_section_references ; Becker, P. J. & Coppens, P. (1974). Acta Cryst. A30, 129-153. Petricek, V., Dusek, M. & Palatinus L. (2000). Jana2000. Structure Determination Software Programs. Institute of Physics, Praha, Czech Republic. # enable this reference if Diamond ver. 2 was used for visualization #Brandenburg, K. (1999). DIAMOND. Version. 2.1c. #Crystal Impact GbR, Bonn, Germany. # enable this reference if Diamond ver. 3 was used for visualization #Brandenburg, K. & Putz, H. (2005). DIAMOND Version 3. #Crystal Impact GbR, Postfach 1251, D-53002 Bonn, Germany. # enable this reference if SIR97 was used for solving of the structure #Altomare, A., Burla, M. C., Camalli, M., Cascarano, G., Giacovazzo, C., #Guagliardi, A., Moliterni, A. G. G., Polidori, G., Spagna, R. (1997). #SIR97. A Package for Crystal Structure Solution by Direct Methods #and Refinement, Bari, Rome, Italy. # use this reference if SIR2002 was used for solving of the structure #Burla, M.C., Camalli, M., Carrozzini, B., Cascarano, G., Giacovazzo, C., #Polidori, G., Spagna, R. #SIR2002: the program, J. Appl. Cryst, (2003). 36, 1103 # enable this reference if bond valences were calculated #Brown, I. D. (1996). J. Appl. Cryst. 29, 479-480. # enable this reference if Xshape wase used for crystal shape refinement #Stoe & Cie (1998). X-SHAPE. Stoe & Cie, Darmstadt, Germany. # enable this reference if Flack coefficient was refined #Flack, H. D. (1983). Acta Cryst. A39, 876-881. ; _publ_section_figure_captions ; ? ; _publ_section_table_legends ; ? ; #======================================================================= data_(I) #======================================================================= # 5. CHEMICAL DATA _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_formula_moiety ? _chemical_formula_structural ? _chemical_formula_analytical ? _chemical_formula_iupac ? _chemical_formula_sum 'Bi14.32 O42 P7 Zn1.99' _chemical_formula_weight 4011.51 _chemical_melting_point ? _chemical_compound_source ? _chemical_absolute_configuration ? #======================================================================= # 6. CRYSTAL DATA _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'Im' _symmetry_space_group_name_Hall '-I 4bd;2ab;3' loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 x,y,z 2 x,-y,z 3 1/2+x,1/2+y,1/2+z 4 1/2+x,1/2-y,1/2+z _cell_length_a 11.579(3) _cell_length_b 5.476(1) _cell_length_c 59.015(2) _cell_angle_alpha 90 _cell_angle_beta 90.28(2) _cell_angle_gamma 90 _cell_volume 3741.9(6) _cell_formula_units_Z 4 _cell_measurement_reflns_used ? _cell_measurement_theta_min ? _cell_measurement_theta_max ? _cell_measurement_temperature 300 _cell_special_details ; ? ; _exptl_crystal_density_diffrn 7.2626 _exptl_crystal_density_meas ? _exptl_crystal_density_method ? _exptl_crystal_F_000 6731 _exptl_absorpt_coefficient_mu 71.50 _exptl_crystal_description ? _exptl_crystal_size_max 0.102 _exptl_crystal_size_mid 0.0214 _exptl_crystal_size_min 0.0166 _exptl_crystal_size_rad ? _exptl_crystal_colour ? _exptl_absorpt_correction_type None _exptl_absorpt_process_details ? _exptl_absorpt_correction_T_min 0.200 _exptl_absorpt_correction_T_max 0.500 #======================================================================= # 7. EXPERIMENTAL DATA _exptl_special_details ? _diffrn_ambient_temperature 293 _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71069 _diffrn_radiation_source ? _diffrn_radiation_monochromator ? _diffrn_measurement_device_type ? _diffrn_detector_area_resol_mean ? _diffrn_measurement_method ? _diffrn_reflns_number 39020 _diffrn_reflns_theta_min 1.38 _diffrn_reflns_theta_max 28.86 _diffrn_reflns_theta_full 28.86 _diffrn_measured_fraction_theta_max ? _diffrn_measured_fraction_theta_full 1.00 _diffrn_reflns_av_R_equivalents 0.1152 _diffrn_reflns_av_sigmaI/netI 0.1096 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 15 _diffrn_reflns_limit_k_min -7 _diffrn_reflns_limit_k_max 7 _diffrn_reflns_limit_l_min -79 _diffrn_reflns_limit_l_max 80 _diffrn_reflns_reduction_process ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? #======================================================================= # 8. REFINEMENT DATA _refine_special_details ; ? ; _reflns_number_total 7734 _reflns_number_gt 4631 _reflns_threshold_expression 'I>3\s(I)' _refine_ls_structure_factor_coef F _refine_ls_R_factor_gt 0.0817 _refine_ls_wR_factor_gt 0.0774 _refine_ls_R_factor_all 0.1107 _refine_ls_wR_factor_ref 0.0984 _refine_ls_goodness_of_fit_ref 2.51 _refine_ls_goodness_of_fit_gt 2.48 _refine_ls_restrained_S_gt ? _refine_ls_restrained_S_all ? _refine_ls_number_reflns 7734 _refine_ls_number_parameters 101 _refine_ls_number_restraints ? _refine_ls_number_constraints ? _refine_ls_weighting_scheme unit _refine_ls_hydrogen_treatment ? _refine_ls_shift/su_max 0.0492 _refine_ls_shift/su_mean 0.0185 _refine_diff_density_max 7.86 _refine_diff_density_min -4.77 _refine_ls_extinction_method 'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)' _refine_ls_extinction_coef 0 _refine_ls_abs_structure_details ? _refine_ls_abs_structure_Flack ? _refine_ls_abs_structure_Rogers ? loop_ _atom_type_symbol _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c O 0.011 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.867 32.908901 0.2508 P 0.102 0.094 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 6.4345 1.9067 4.1791 27.157 1.78 0.526 1.4908 68.164497 1.1149 Zn 0.284 1.430 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 14.0743 3.2655 7.0318 0.2333 5.1652 10.3163 2.41 58.709702 1.3041 Bi -4.108 10.257 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 33.3689 0.704 12.951 2.9238 16.5877 8.7937 6.4692 48.0093 13.5782 _computing_data_collection ? _computing_cell_refinement ? _computing_data_reduction ? _computing_structure_solution ? _computing_structure_refinement 'Jana2000 (Petricek, Dusek & Palatinus, 2000)' _computing_molecular_graphics ? _computing_publication_material 'Jana2000 (Petricek, Dusek & Palatinus, 2000)' #======================================================================= # 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_adp_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity _atom_site_occupancy _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Bi1 Bi 0.6724(6) 0 0.19356(12) Uiso 0.0180(7) 2 1 d . . . Bi2 Bi 0.4639(6) 0 0.24075(11) Uiso 0.0178(8) 2 1 d . . . Bi3 Bi 0.6839(5) -0.5 0.33293(11) Uiso 0.0148(7) 2 1 d . . . Bi4 Bi 0.4526(7) 0.5 0.19529(15) Uiso 0.0464(14) 2 1 d . . . Bi5 Bi 0.4731(7) 0.5 0.28533(15) Uiso 0.0419(13) 2 1 d . . . Bi6 Bi 0.4761(6) 0 0.33008(12) Uiso 0.0239(9) 2 1 d . . . Bi7 Bi 0.6847(6) 0.5 0.23952(12) Uiso 0.0180(8) 2 1 d . . . Bi8 Bi 0.6988(8) 0 0.28380(16) Uiso 0.0494(15) 2 1 d . . . Bi9 Bi 0.4608(6) -0.5 0.37618(11) Uiso 0.0194(8) 2 1 d . . . Bi10 Bi 0.6792(6) 0 0.38094(13) Uiso 0.0335(10) 2 1 d . . . Bi11 Bi 0.4569(9) 0 0.42563(16) Uiso 0.0556(18) 2 1 d . . . Bi12 Bi 0.6788(10) -0.5 0.42436(17) Uiso 0.061(2) 2 1 d . . . Bi13 Bi 0.2178(5) -0.5 0.42379(11) Uiso 0.0153(7) 2 1 d . . . Bi14 Bi 0.1644(8) 0.5 0.15551(15) Uiso 0.0557(16) 2 1 d . . . Bi15 Bi 0.4522(5) -0.5 0.46912(11) Uiso 0.0089(6) 2 1 d . . . Bi16 Bi 0.1685(6) 0.5 -0.02542(11) Uiso 0.0147(7) 2 1 d . . . Bi17 Bi 0.2124(5) 0 0.28331(12) Uiso 0.0222(8) 2 1 d . . . Bi18 Bi 0.6516(7) 0.5 0.14612(13) Uiso 0.0196(16) 2 0.46(3) d . . . Zn18 Zn 0.651599 0.5 0.146115 Uiso 0.0196(16) 2 0.54(3) d . . . Bi19 Bi 0.9454(6) 0.5 0.01893(12) Uiso 0.0212(8) 2 1 d . . . Bi20 Bi 0.9596(11) 0 0.1554(2) Uiso 0.077(5) 2 0.55(4) d . . . Zn20 Zn 0.95959 0 0.155408 Uiso 0.0196(16) 2 0.45(4) d . . . Bi21 Bi 0.9505(5) 0.5 0.28164(10) Uiso 0.0101(6) 2 1 d . . . Bi22 Bi 0.9282(5) 0 0.42599(10) Uiso 0.0064(6) 2 1 d . . . Bi23 Bi 0.9407(5) 0 0.06485(11) Uiso 0.0151(6) 2 1 d . . . Bi24 Bi 0.9516(7) 0.5 0.11034(13) Uiso 0.0306(10) 2 1 d . . . Bi25 Bi 0.1640(6) 0 0.01877(11) Uiso 0.0162(7) 2 1 d . . . Bi26 Bi 0.1705(5) 0.5 0.06454(12) Uiso 0.0139(6) 2 1 d . . . Bi27 Bi 0.1694(6) 0 0.10997(12) Uiso 0.0251(9) 2 1 d . . . Bi28 Bi 0.4236(6) 0 0.06825(12) Uiso 0.0356(11) 2 1 d . . . Bi29 Bi 0.4730(6) 0 0.14531(12) Uiso 0.0195 2 0.61(3) d . . . Zn29 Zn 0.472982 0 0.14531 Uiso 0.0196(16) 2 0.39(5) d . . . Bi30 Bi 0.6886(6) 0.5 0.07091(13) Uiso 0.0384(11) 2 1 d . . . O1 O 0.569384 -0.70698 0.350434 Uiso 0.0134 4 1 d . . . O2 O 0.578875 0.210408 0.167155 Uiso 0.0134 4 1 d . . . O3 O 0.053031 0.757619 0.132478 Uiso 0.0134 4 1 d . . . O4 O 0.587759 -0.725472 0.3998 Uiso 0.0134 4 1 d . . . O5 O 0.600431 -0.720029 0.308876 Uiso 0.0134 4 1 d . . . O6 O 0.576726 0.265584 0.258893 Uiso 0.0134 4 1 d . . . O7 O 1.054407 0.770105 -0.005277 Uiso 0.0134 4 1 d . . . O8 O 0.592786 -0.268541 0.449618 Uiso 0.0134 4 1 d . . . O9 O 1.044413 0.782353 0.042726 Uiso 0.0134 4 1 d . . . O10 O 1.065194 0.291056 0.088097 Uiso 0.0134 4 1 d . . . O11 O 0.564284 0.776725 0.211431 Uiso 0.0134 4 1 d . . . O12 O 0.375371 -0.5 0.434026 Uiso 0.0134 2 1 d . . . O13 O 0.373759 0 0.285347 Uiso 0.0134 2 1 d . . . O14 O 0.787508 0.5 0.279736 Uiso 0.0134 2 1 d . . . O15 O 0.735454 0 0.41974 Uiso 0.0134 2 1 d . . . O16 O 0.246643 0 0.065256 Uiso 0.0134 2 1 d . . . O17 O 0.386643 0 0.563366 Uiso 0.0134 2 1 d . . . Zn1 Zn 0.0807(14) -0.273(3) 0.3564(3) Uiso 0.0215(14) 4 0.524(17) d . . . Zn2 Zn 0.0246(16) -0.5 0.2206(3) Uiso 0.0215(14) 2 0.5652 d . . . Zn3 Zn 0.0648(15) -0.257083 0.4967(3) Uiso 0.0215(14) 4 0.497(17) d . . . P1 P 0.903406 0 0.241915 Uiso 0.0224 2 1 d . . . Op11 O 0.950115 0 0.264822 Uiso 0.028 2 1 d . . . Op12 O 0.827902 0.2845 0.235181 Uiso 0.028 4 1 d . . . Op13 O 0.006717 0 0.223684 Uiso 0.028 2 1 d . . . P2 P 0.244862 0.5 0.239539 Uiso 0.0224 2 1 d . . . Op21 O 0.206785 0.5 0.258328 Uiso 0.028 2 1 d . . . Op22 O 0.386 0.5 0.25 Uiso 0.028 2 1 d . . . Op23 O 0.209 0.225 0.225 Uiso 0.028 4 1 d . . . P3 P 0.200604 0 0.189399 Uiso 0.0224 2 1 d . . . Op31 O 0.202954 0 0.216405 Uiso 0.028 2 1 d . . . Op32 O 0.353022 0 0.178329 Uiso 0.028 2 1 d . . . Op33 O 0.119493 0.236993 0.183501 Uiso 0.028 4 1 d . . . P4 P 0.259501 0 0.384277 Uiso 0.0224 2 1 d . . . Op41 O 0.335966 0.2601 0.372691 Uiso 0.028 4 1 d . . . Op42 O 0.123687 0 0.383009 Uiso 0.028 2 1 d . . . Op43 O 0.325922 0 0.41038 Uiso 0.028 2 1 d . . . P5 P 0.233447 0 0.461283 Uiso 0.0224 2 1 d . . . Op51 O 0.244027 -0.234073 0.444395 Uiso 0.028 4 1 d . . . Op52 O 0.135051 0 0.472332 Uiso 0.028 2 1 d . . . Op53 O 0.338614 0 0.479528 Uiso 0.028 2 1 d . . . P6 P 0.248295 0.5 0.322961 Uiso 0.0224 2 1 d . . . Op61 O 0.140764 0.5 0.323294 Uiso 0.028 2 1 d . . . Op62 O 0.275361 0.270127 0.308576 Uiso 0.028 4 1 d . . . Op63 O 0.295229 0.5 0.348702 Uiso 0.028 2 1 d . . . P8 P 0.889307 0 0.324207 Uiso 0.0224 2 1 d . . . Op81 O 1.002188 0 0.340485 Uiso 0.028 2 1 d . . . Op82 O 0.873999 -0.222734 0.306261 Uiso 0.028 4 1 d . . . Op83 O 0.785698 0 0.338001 Uiso 0.028 2 1 d . . . P9 P 0.408185 0.5 0.112374 Uiso 0.0224 2 1 d . . . Op91 O 0.350538 0.5 0.137297 Uiso 0.028 2 1 d . . . Op92 O 0.365214 0.704336 0.094246 Uiso 0.028 4 1 d . . . Op93 O 0.532431 0.5 0.114503 Uiso 0.028 2 1 d . . . P10 P 0.701273 0 0.112206 Uiso 0.0224 2 1 d . . . Op101 O 0.675771 0 0.137318 Uiso 0.028 2 1 d . . . Op102 O 0.831119 0 0.109941 Uiso 0.028 2 1 d . . . Op103 O 0.642206 0.209308 0.10282 Uiso 0.028 4 0.5 d . . . P11 P 0.85772 -0.5 0.467691 Uiso 0.0224 2 1 d . . . Op111 O 0.780424 -0.5 0.490461 Uiso 0.028 2 1 d . . . Op112 O 0.850642 -0.263213 0.451161 Uiso 0.028 4 1 d . . . Op113 O 0.97883 -0.5 0.47371 Uiso 0.028 2 1 d . . . P12 P -0.131983 -0.5 0.178376 Uiso 0.0224 2 1 d . . . Op121 O -0.036408 -0.5 0.198476 Uiso 0.028 2 1 d . . . Op122 O -0.144732 -0.25612 0.162893 Uiso 0.028 4 1 d . . . Op123 O -0.233913 -0.5 0.183789 Uiso 0.028 2 1 d . . . P13 P 0.220697 -0.5 0.531454 Uiso 0.0224 2 1 d . . . Op131 O 0.201959 -0.5 0.507512 Uiso 0.028 2 1 d . . . Op132 O 0.085532 -0.5 0.542402 Uiso 0.028 2 1 d . . . Op133 O 0.291663 -0.289892 0.538712 Uiso 0.028 4 0.5 d . . . P14 P 0.90857 -0.5 0.38719 Uiso 0.0224 2 1 d . . . Op141 O 0.76906 -0.5 0.388683 Uiso 0.028 2 1 d . . . Op142 O 0.971997 -0.256819 0.377574 Uiso 0.028 4 1 d . . . Op143 O 0.957348 -0.5 0.409563 Uiso 0.028 2 1 d . . . P7 P 0.349 0.5 0.025 Uiso 0.0224 2 1 d . . . Op71 O 0.299106 0.5 0.050155 Uiso 0.028 2 1 d . . . Op72 O 0.263841 0.5 0.007943 Uiso 0.028 2 1 d . . . Op73 O 0.405268 0.28526 0.023002 Uiso 0.028 4 1 d . . . #======================================================================= # 10. MOLECULAR GEOMETRY loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_distance _geom_bond_publ_flag P1 Op11 . . 1.4535 yes P1 Op12 . . 1.8291 yes P1 Op12 . 2_555 1.8291 yes P1 Op13 . 1_655 1.6129 yes P2 Op21 . . 1.1953 yes P2 Op22 . . 1.7441 yes P2 Op23 . . 1.7811 yes P2 Op23 . 2_565 1.7811 yes P3 Op31 . . 1.5939 yes P3 Op32 . . 1.885 yes P3 Op33 . . 1.6383 yes P3 Op33 . 2_555 1.6383 yes P4 Op41 . . 1.8127 yes P4 Op41 . 2_555 1.8127 yes P4 Op42 . . 1.574 yes P4 Op43 . . 1.7183 yes P5 Op51 . . 1.6286 yes P5 Op51 . 2_555 1.6286 yes P5 Op52 . . 1.3156 yes P5 Op53 . . 1.6215 yes P6 Op61 . . 1.2454 yes P6 Op62 . . 1.5511 yes P6 Op62 . 2_565 1.5511 yes P6 Op63 . . 1.6108 yes P8 Op81 . . 1.6182 yes P8 Op82 . . 1.6244 yes P8 Op82 . 2_555 1.6244 yes P8 Op83 . . 1.4532 yes P9 Op91 . . 1.6182 yes P9 Op92 . . 1.6244 yes P9 Op92 . 2_565 1.6244 yes P9 Op93 . . 1.4435 yes P10 Op101 . . 1.5126 yes P10 Op102 . . 1.5101 yes P10 Op103 . . 1.4437 yes P10 Op103 . 2_555 1.4437 yes P11 Op111 . . 1.6183 yes P11 Op112 . . 1.6244 yes P11 Op112 . 2_545 1.6244 yes P11 Op113 . . 1.4449 yes P12 Op121 . . 1.6182 yes P12 Op122 . . 1.6244 yes P12 Op122 . 2_545 1.6244 yes P12 Op123 . . 1.2243 yes P13 Op131 . . 1.4284 yes P13 Op132 . . 1.6962 yes P13 Op133 . . 1.4761 yes P13 Op133 . 2_545 1.4761 yes P14 Op141 . . 1.6182 yes P14 Op142 . . 1.6244 yes P14 Op142 . 2_545 1.6244 yes P14 Op143 . . 1.4335 yes P7 Op71 . . 1.5957 yes P7 Op72 . . 1.4056 yes P7 Op73 . . 1.3497 yes P7 Op73 . 2_565 1.3497 yes loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle _geom_angle_publ_flag Op11 P1 Op12 . . . 112.167 yes Op11 P1 Op12 . . 2_555 112.167 yes Op11 P1 Op13 . . 1_655 110.282 yes Op12 P1 Op12 . . 2_555 116.791 yes Op12 P1 Op13 . . 1_655 102.144 yes Op12 P1 Op12 2_555 . . 116.791 yes Op12 P1 Op13 2_555 . 1_655 102.144 yes Op21 P2 Op22 . . . 91.201 yes Op21 P2 Op23 . . . 111.142 yes Op21 P2 Op23 . . 2_565 111.142 yes Op22 P2 Op23 . . . 112.725 yes Op22 P2 Op23 . . 2_565 112.725 yes Op23 P2 Op23 . . 2_565 115.431 yes Op23 P2 Op23 2_565 . . 115.431 yes Op31 P3 Op32 . . . 109.586 yes Op31 P3 Op33 . . . 102.671 yes Op31 P3 Op33 . . 2_555 102.671 yes Op32 P3 Op33 . . . 117.589 yes Op32 P3 Op33 . . 2_555 117.589 yes Op33 P3 Op33 . . 2_555 104.765 yes Op33 P3 Op33 2_555 . . 104.765 yes Op41 P4 Op41 . . 2_555 103.568 yes Op41 P4 Op42 . . . 118.154 yes Op41 P4 Op43 . . . 96.943 yes Op41 P4 Op41 2_555 . . 103.568 yes Op41 P4 Op42 2_555 . . 118.154 yes Op41 P4 Op43 2_555 . . 96.943 yes Op42 P4 Op43 . . . 119.027 yes Op51 P5 Op51 . . 2_555 103.812 yes Op51 P5 Op52 . . . 111.796 yes Op51 P5 Op53 . . . 110.355 yes Op51 P5 Op51 2_555 . . 103.812 yes Op51 P5 Op52 2_555 . . 111.796 yes Op51 P5 Op53 2_555 . . 110.355 yes Op52 P5 Op53 . . . 108.679 yes Op61 P6 Op62 . . . 102.321 yes Op61 P6 Op62 . . 2_565 102.321 yes Op61 P6 Op63 . . . 108.527 yes Op62 P6 Op62 . . 2_565 108.484 yes Op62 P6 Op63 . . . 116.616 yes Op62 P6 Op62 2_565 . . 108.484 yes Op62 P6 Op63 2_565 . . 116.616 yes Op81 P8 Op82 . . . 118.179 yes Op81 P8 Op82 . . 2_555 118.179 yes Op81 P8 Op83 . . . 109.517 yes Op82 P8 Op82 . . 2_555 97.321 yes Op82 P8 Op83 . . . 106.113 yes Op82 P8 Op82 2_555 . . 97.321 yes Op82 P8 Op83 2_555 . . 106.113 yes Op91 P9 Op92 . . . 118.179 yes Op91 P9 Op92 . . 2_565 118.179 yes Op91 P9 Op93 . . . 109.654 yes Op92 P9 Op92 . . 2_565 87.069 yes Op92 P9 Op93 . . . 111.051 yes Op92 P9 Op92 2_565 . . 87.069 yes Op92 P9 Op93 2_565 . . 111.051 yes Op101 P10 Op102 . . . 106.622 yes Op101 P10 Op103 . . . 106.349 yes Op101 P10 Op103 . . 2_555 106.349 yes Op102 P10 Op103 . . . 115.85 yes Op102 P10 Op103 . . 2_555 115.85 yes Op103 P10 Op103 . . 2_555 105.092 yes Op103 P10 Op103 2_555 . . 105.092 yes Op111 P11 Op112 . . . 118.179 yes Op111 P11 Op112 . . 2_545 118.179 yes Op111 P11 Op113 . . . 109.633 yes Op112 P11 Op112 . . 2_545 105.914 yes Op112 P11 Op113 . . . 101.165 yes Op112 P11 Op112 2_545 . . 105.914 yes Op112 P11 Op113 2_545 . . 101.165 yes Op121 P12 Op122 . . . 118.179 yes Op121 P12 Op122 . . 2_545 118.179 yes Op121 P12 Op123 . . . 117.735 yes Op122 P12 Op122 . . 2_545 110.59 yes Op122 P12 Op123 . . . 93.54 yes Op122 P12 Op122 2_545 . . 110.59 yes Op122 P12 Op123 2_545 . . 93.54 yes Op131 P13 Op132 . . . 103.939 yes Op131 P13 Op133 . . . 111.631 yes Op131 P13 Op133 . . 2_545 111.631 yes Op132 P13 Op133 . . . 113.757 yes Op132 P13 Op133 . . 2_545 113.757 yes Op133 P13 Op133 . . 2_545 102.414 yes Op133 P13 Op133 2_545 . . 102.414 yes Op141 P14 Op142 . . . 118.178 yes Op141 P14 Op142 . . 2_545 118.178 yes Op141 P14 Op143 . . . 109.797 yes Op142 P14 Op142 . . 2_545 110.116 yes Op142 P14 Op143 . . . 98.339 yes Op142 P14 Op142 2_545 . . 110.116 yes Op142 P14 Op143 2_545 . . 98.339 yes Op71 P7 Op72 . . . 114.224 yes Op71 P7 Op73 . . . 104.978 yes Op71 P7 Op73 . . 2_565 104.978 yes Op72 P7 Op73 . . . 105.942 yes Op72 P7 Op73 . . 2_565 105.942 yes Op73 P7 Op73 . . 2_565 121.189 yes Op73 P7 Op73 2_565 . . 121.189 yes #=======================================================================