#\#CIF_1.1 # Archive CIF produced by XD routine XDCIF # Created on 27-Aug-08 at 18:13:55 # Using CIFtbx version 2.6.2 16 Jun 1998 # Dictionary name : cif_core.dic # Dictionary vers : 2.3 # Request file : c:/WinXD/lib/xd/xdcif.dat # CIF files read : fft lsm geo data_mw _audit_creation_date '27-Aug-08 T18:13:55-00:00' _audit_creation_method 'XD routine XDCIF' _audit_conform_dict_name cif_core.dic _audit_conform_dict_version 2.3 _audit_conform_dict_location ftp://ftp.iucr.org/pub/cif_core.dic #----------------------------------------------------------------------------# # CHEMICAL INFORMATION # #----------------------------------------------------------------------------# _chemical_name_common 'melamine barbital addition compound' _chemical_formula_moiety 'C8 H12 N2 O3, C3 H6 N6' _chemical_formula_sum 'C11 H18 N8 O3' _chemical_formula_weight 310.33 #----------------------------------------------------------------------------# # UNIT CELL INFORMATION # #----------------------------------------------------------------------------# _space_group_crystal_system orthorhombic _space_group_name_H-M_alt 'P m n 21' loop_ _space_group_symop_operation_xyz 'x, y, z' '-x+1/2, -y, z+1/2' '-x, y, z' 'x+1/2, -y, z+1/2' _cell_length_a 9.5289(3) _cell_length_b 9.1191(3) _cell_length_c 8.6670(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 753.12(4) _cell_formula_units_Z 2 _cell_measurement_temperature 110(2) _cell_measurement_reflns_used 8667 _cell_measurement_theta_min 3.0857 _cell_measurement_theta_max 45.3807 #----------------------------------------------------------------------------# # CRYSTAL INFORMATION # #----------------------------------------------------------------------------# _exptl_crystal_description needle _exptl_crystal_colour colorless _exptl_crystal_size_max 0.22 _exptl_crystal_size_mid 0.12 _exptl_crystal_size_min 0.08 _exptl_crystal_density_diffrn 1.369 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 328 #----------------------------------------------------------------------------# # ABSORPTION CORRECTION # #----------------------------------------------------------------------------# _exptl_absorpt_coefficient_mu 0.104 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_process_details ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.66 (release 28-04-2010 CrysAlis171 .NET) (compiled Apr 28 2010,14:27:37) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _exptl_absorpt_correction_T_min 0.9775 _exptl_absorpt_correction_T_max 0.9917 #----------------------------------------------------------------------------# # DATA COLLECTION # #----------------------------------------------------------------------------# _diffrn_ambient_temperature 110(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_monochromator mirror _diffrn_measurement_device_type 'SuperNova, Dual, Cu at zero, Atlas' _diffrn_measurement_method '\w scans' _diffrn_reflns_av_R_equivalents 0.0287 _diffrn_reflns_av_unetI/netI 0.0532 _diffrn_reflns_number 32340 _diffrn_reflns_limit_h_min 0 _diffrn_reflns_limit_h_max 19 _diffrn_reflns_limit_k_min 0 _diffrn_reflns_limit_k_max 18 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 3.09 _diffrn_reflns_theta_max 45.5 _reflns_number_total 3440 _reflns_number_gt 2306 _reflns_threshold_expression >2\s(I) #----------------------------------------------------------------------------# # COMPUTER PROGRAMS USED # #----------------------------------------------------------------------------# _computing_data_collection ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET) (compiled Nov 6 2009,16:24:50) ; _computing_cell_refinement ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET) (compiled Nov 6 2009,16:24:50) ; _computing_data_reduction ; CrysAlisPro, Oxford Diffraction Ltd., Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET) (compiled Nov 6 2009,16:24:50) ; _computing_structure_refinement 'Volkov et al, (2006)' _computing_molecular_graphics 'Volkov et al, (2006)' _computing_publication_material 'Volkov et al, (2006)' _publ_section_references ;Volkov, A.; Macchi, P.; Farrugia, L. J.; Gatti, C.; Mallinson, P. R.; Richter, T. and Koritsanszky, T. (2006) XD2006 - a computer program for multipole refinement, topological analysis and evaluation of intermolecular energies from experimental and theoretical structure factors. ; #----------------------------------------------------------------------------# # REFINEMENT INFORMATION # #----------------------------------------------------------------------------# _refine_special_details ; ? ; _refine_ls_structure_factor_coef F _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details ; calc w1 = 1/[s^2^(Fo)] ; _refine_ls_extinction_method none _refine_ls_number_reflns 3751 _refine_ls_number_parameters 304 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.089 _refine_ls_R_factor_gt 0.028 _refine_ls_wR_factor_ref 0.023 _refine_ls_goodness_of_fit_ref 0.952 _refine_ls_shift/su_max 0.00003 _diffrn_measured_fraction_theta_max 0.994 _diffrn_reflns_theta_full 45.50 _diffrn_measured_fraction_theta_full 0.994 _refine_diff_density_max 0.255 _refine_diff_density_min -0.237 _refine_diff_density_rms 0.051 #----------------------------------------------------------------------------# # ATOMIC TYPES, COORDINATES AND THERMAL PARAMETERS # #----------------------------------------------------------------------------# loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity O(2A) O 0.5 0.1432(2) 0.6427(2) 0.016 Uani 1 2 O(4A) O 0.25212(14) 0.39890(18) 0.995302 0.024 Uani 1 4 N(3B) N 0.12545(10) 0.12672(10) 0.7108(2) 0.012 Uani 1 4 N(4B) N 0 0.22351(19) 0.9136(2) 0.016 Uani 1 2 N(1B) N 0 0.02401(15) 0.4961(2) 0.013 Uani 1 2 N(1A) N 0.37727(11) 0.27840(11) 0.8154(2) 0.013 Uani 1 4 N(2B) N 0.24083(12) 0.02928(13) 0.5024(2) 0.019 Uani 1 4 C(4B) C 0 0.15795(13) 0.7751(2) 0.011 Uani 1 2 C(5A) C 0.5 0.43900(14) 1.0029(2) 0.013 Uani 1 2 C(2A) C 0.5 0.22802(15) 0.7528(2) 0.012 Uani 1 2 C(4A) C 0.36660(10) 0.36975(10) 0.9405(2) 0.014 Uani 1 4 C(2B) C 0.11851(10) 0.06057(9) 0.5711(2) 0.012 Uani 1 4 C(8A) C 0.5 0.43536(14) 1.1814(2) 0.019 Uani 1 2 C(7A) C 0.5 0.60304(13) 0.9502(2) 0.017 Uani 1 2 C(10A) C 0.5 0.62928(16) 0.7766(2) 0.027 Uani 1 2 C(9A) C 0.5 0.28151(18) 1.2507(3) 0.035 Uani 1 2 H(4B) H -0.090778 0.267003 0.952958 0.018211 Uiso 1 4 H(1A) H 0.287292 0.229492 0.779615 0.017859 Uiso 1 4 H(2B2) H 0.332272 0.059954 0.552024 0.017267 Uiso 1 4 H(2B1) H 0.236438 -0.018109 0.397091 0.023387 Uiso 1 4 H(81) H 0.592108 0.492946 1.225557 0.022446 Uiso 1 4 H(71) H 0.597626 0.647416 0.996819 0.021905 Uiso 1 4 H(11) H 0.591359 0.583966 0.721118 0.020966 Uiso 1 4 H(12) H 0.5 0.745575 0.754952 0.033911 Uiso 1 2 H(91) H 0.592913 0.222624 1.21657 0.019827 Uiso 1 4 H(92) H 0.5 0.289153 1.374743 0.032032 Uiso 1 2 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 O(2A) 0.0108(6) 0.0232(6) 0.0131(5) -0.0070(5) 0 0 O(4A) 0.0107(5) 0.0340(6) 0.0258(5) -0.0157(5) 0.0057(5) -0.0027(4) N(3B) 0.0090(3) 0.0175(3) 0.0091(3) -0.0032(3) -0.0002(3) -0.0003(3) N(4B) 0.0099(5) 0.0265(6) 0.0109(4) -0.0052(5) 0 0 N(1B) 0.0095(5) 0.0184(5) 0.0101(4) -0.0034(5) 0 0 N(1A) 0.0094(3) 0.0173(4) 0.0128(3) -0.0049(3) 0.0002(3) -0.0002(4) N(2B) 0.0113(4) 0.0279(5) 0.0167(4) -0.0110(4) 0.0027(3) -0.0006(4) C(4B) 0.0093(5) 0.0153(5) 0.0091(4) -0.0015(4) 0 0 C(5A) 0.0132(5) 0.0159(5) 0.0113(4) -0.0029(4) 0 0 C(2A) 0.0100(5) 0.0162(5) 0.0102(4) -0.0028(4) 0 0 C(4A) 0.0104(4) 0.0182(3) 0.0145(3) -0.0060(3) 0.0022(3) -0.0012(3) C(2B) 0.0093(3) 0.0156(3) 0.0113(3) -0.0023(3) 0.0006(3) -0.0002(3) C(8A) 0.0257(6) 0.0200(5) 0.0107(4) -0.0025(4) 0 0 C(7A) 0.0212(5) 0.0155(4) 0.0155(4) -0.0032(4) 0 0 C(10A) 0.0430(8) 0.0223(5) 0.0156(5) 0.0020(5) 0 0 C(9A) 0.0657(10) 0.0246(6) 0.0159(5) 0.0043(5) 0 0 #----------------------------------------------------------------------------# # MULTIPOLE PARAMETERS # #----------------------------------------------------------------------------# loop_ _atom_rho_multipole_atom_label _atom_rho_multipole_coeff_Pv _atom_rho_multipole_coeff_P00 _atom_rho_multipole_coeff_P11 _atom_rho_multipole_coeff_P1-1 _atom_rho_multipole_coeff_P10 _atom_rho_multipole_coeff_P20 _atom_rho_multipole_coeff_P21 _atom_rho_multipole_coeff_P2-1 _atom_rho_multipole_coeff_P22 _atom_rho_multipole_coeff_P2-2 _atom_rho_multipole_coeff_P30 _atom_rho_multipole_coeff_P31 _atom_rho_multipole_coeff_P3-1 _atom_rho_multipole_coeff_P32 _atom_rho_multipole_coeff_P3-2 _atom_rho_multipole_coeff_P33 _atom_rho_multipole_coeff_P3-3 _atom_rho_multipole_coeff_P40 _atom_rho_multipole_coeff_P41 _atom_rho_multipole_coeff_P4-1 _atom_rho_multipole_coeff_P42 _atom_rho_multipole_coeff_P4-2 _atom_rho_multipole_coeff_P43 _atom_rho_multipole_coeff_P4-3 _atom_rho_multipole_coeff_P44 _atom_rho_multipole_coeff_P4-4 _atom_rho_multipole_kappa _atom_rho_multipole_kappa_prime0 _atom_rho_multipole_kappa_prime1 _atom_rho_multipole_kappa_prime2 _atom_rho_multipole_kappa_prime3 _atom_rho_multipole_kappa_prime4 O(2A) 3.11(2) 0 0 0.028(19) -0.033(16) -0.013(17) 0 0.029(15) 0.058(16) 0 -0.035(14) 0 0.043(13) -0.002(13) 0 0 0.039(11) 0 0 0 0 0 0 0 0 0 0.971667 1 1 1 1 1 O(4A) 6.21(3) 0 0.04(3) 0.03(2) -0.03(3) 0.09(3) -0.03(3) -0.06(2) -0.13(3) 0.02(2) 0.09(2) -0.097(19) -0.040(15) 0.047(16) -0.09(2) 0.15(2) 0.050(17) 0 0 0 0 0 0 0 0 0 0.972324 1 1 1 1 1 N(3B) 5.66(4) 0 0.027(19) -0.04(2) -0.05(2) 0.01(2) -0.034(19) 0.006(19) -0.131(18) 0.016(16) 0.13(2) 0.038(16) -0.045(16) 0.076(17) -0.072(18) -0.09(2) -0.060(15) 0 0 0 0 0 0 0 0 0 0.950437 1 1 1 1 1 N(4B) 2.71(4) 0 0 -0.026(18) 0.022(14) -0.043(16) 0 -0.024(14) 0.041(15) 0 -0.051(14) 0 -0.011(12) -0.011(12) 0 0 -0.101(13) 0 0 0 0 0 0 0 0 0 0.969029 1 1 1 1 1 N(1B) 2.84(2) 0 0 0.014(16) 0.068(13) -0.056(14) 0 0.047(12) 0.016(14) 0 0.021(15) 0 -0.015(10) 0.058(13) 0 0 0.075(13) 0 0 0 0 0 0 0 0 0 0.944414 1 1 1 1 1 N(1A) 5.35(5) 0 0.01(2) -0.02(3) 0.06(3) 0.06(2) 0.028(17) 0.02(2) -0.04(2) -0.016(18) 0.21(2) 0.073(16) 0.041(17) 0.215(19) 0.004(18) -0.102(19) 0.06(2) 0 0 0 0 0 0 0 0 0 0.962871 1 1 1 1 1 N(2B) 5.42(5) 0 0.00(2) 0.03(3) 0.00(2) -0.05(2) 0.006(18) -0.02(2) -0.06(2) 0.03(2) 0.20(2) 0.009(16) 0.001(15) 0.078(17) 0.082(19) -0.15(2) 0.006(15) 0 0 0 0 0 0 0 0 0 0.958994 1 1 1 1 1 C(4B) 1.88(3) 0 0 0.031(18) 0.008(13) -0.116(16) 0 -0.020(14) -0.025(17) 0 -0.020(17) 0 0.010(13) -0.033(16) 0 0 0.186(17) 0 0 0 0 0 0 0 0 0 1.003193 1 1 1 1 1 C(5A) 1.84(3) 0 0 -0.049(14) 0.039(15) 0.035(15) 0 -0.005(12) -0.063(13) 0 0.029(16) 0 -0.096(14) -0.002(14) 0 0 0.058(14) 0 0 0 0 0 0 0 0 0 1.006642 1 1 1 1 1 C(2A) 1.90(3) 0 0 -0.063(19) -0.016(13) -0.117(16) 0 0.033(13) -0.02(2) 0 0.043(16) 0 -0.035(14) 0.022(15) 0 0 0.192(17) 0 0 0 0 0 0 0 0 0 0.973594 1 1 1 1 1 C(4A) 3.99(5) 0 -0.01(2) -0.13(2) 0.02(3) 0.22(3) -0.02(2) 0.07(2) -0.24(2) -0.096(18) 0.24(3) 0.01(2) 0.05(3) 0.20(2) -0.03(2) -0.08(3) 0.07(2) 0 0 0 0 0 0 0 0 0 0.968496 1 1 1 1 1 C(2B) 3.36(4) 0 0.034(18) 0.02(2) -0.04(2) 0.13(2) -0.001(18) -0.05(2) -0.15(2) -0.042(18) 0.22(2) -0.03(2) 0.03(3) 0.13(2) -0.01(2) 0.09(3) 0.011(19) 0 0 0 0 0 0 0 0 0 1.031021 1 1 1 1 1 C(8A) 1.78(3) 0 0 0.007(10) 0.020(9) 0.030(9) 0 -0.034(9) -0.050(10) 0 0.018(10) 0 -0.096(12) 0.008(9) 0 0 -0.062(9) 0 0 0 0 0 0 0 0 0 1.017595 1 1 1 1 1 C(7A) 1.78(3) 0 0 0.007(10) 0.020(9) 0.030(9) 0 -0.034(9) -0.050(10) 0 0.018(10) 0 -0.096(12) 0.008(9) 0 0 -0.062(9) 0 0 0 0 0 0 0 0 0 1.017595 1 1 1 1 1 C(10A) 2.37(2) 0 0 0.000(10) -0.008(11) 0.061(11) 0 0.040(11) -0.030(10) 0 0.000(11) 0 -0.061(11) -0.035(11) 0 0 -0.048(11) 0 0 0 0 0 0 0 0 0 0.960491 1 1 1 1 1 C(9A) 2.37(2) 0 0 0.000(10) -0.008(11) 0.061(11) 0 0.040(11) -0.030(10) 0 0.000(11) 0 -0.061(11) -0.035(11) 0 0 -0.048(11) 0 0 0 0 0 0 0 0 0 0.960491 1 1 1 1 1 H(4B) 0.75(3) 0 0 0 0.10(2) 0.03(3) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.2 1.2 1.2 1.2 1.2 1.2 H(1A) 0.65(3) 0 0 0 0.05(3) 0.03(3) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.2 1.2 1.2 1.2 1.2 1.2 H(2B2) 0.75(2) 0 0 0 0.164(17) 0.076(19) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.2 1.2 1.2 1.2 1.2 1.2 H(2B1) 0.75(2) 0 0 0 0.164(17) 0.076(19) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.2 1.2 1.2 1.2 1.2 1.2 H(81) 0.995(17) 0 0 0 0.206(13) 0.060(17) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.2 1.2 1.2 1.2 1.2 1.2 H(71) 0.995(17) 0 0 0 0.206(13) 0.060(17) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.2 1.2 1.2 1.2 1.2 1.2 H(11) 0.833(11) 0 0 0 0.023(7) -0.001(9) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.2 1.2 1.2 1.2 1.2 1.2 H(12) 0.419(11) 0 0 0 0.023(7) -0.001(9) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.2 1.2 1.2 1.2 1.2 1.2 H(91) 0.833(11) 0 0 0 0.023(7) -0.001(9) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.2 1.2 1.2 1.2 1.2 1.2 H(92) 0.419(11) 0 0 0 0.023(7) -0.001(9) 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1.2 1.2 1.2 1.2 1.2 1.2 loop_ _atom_local_axes_atom_label _atom_local_axes_atom0 _atom_local_axes_ax1 _atom_local_axes_atom1 _atom_local_axes_atom2 _atom_local_axes_ax2 O(2A) DUM2 X O(2A) H(2B2) Y O(4A) C(4A) Z O(4A) N(1A) Y N(3B) C(4B) Z N(3B) C(2B) Y N(4B) DUM0 X N(4B) C(4B) Y N(1B) DUM11 X N(1B) C(2B) Y N(1A) H(1A) Z N(1A) C(2A) Y N(2B) O(2A) Z N(2B) C(2B) Y C(4B) DUM1 X C(4B) N(3B) Y C(5A) DUM4 X C(5A) DUM12 Y C(2A) DUM3 X C(2A) N(1A) Y C(4A) O(4A) Z C(4A) N(1A) Y C(2B) N(2B) Z C(2B) N(1B) Y C(8A) DUM5 X C(8A) C(9A) Y C(7A) DUM6 X C(7A) C(10A) Y C(10A) DUM7 X C(10A) H(12) Y C(9A) DUM8 X C(9A) H(92) Y H(4B) N(4B) Z H(4B) C(4B) Y H(1A) N(1A) Z H(1A) C(2A) Y H(2B2) N(2B) Z H(2B2) H(2B1) Y H(2B1) N(2B) Z H(2B1) H(2B2) Y H(81) C(8A) Z H(81) C(9A) Y H(71) C(7A) Z H(71) C(5A) Y H(11) C(10A) Z H(11) H(12) Y H(12) DUM10 X H(12) H(11) Y H(91) C(9A) Z H(91) H(92) Y H(92) DUM9 X H(92) H(91) Y #----------------------------------------------------------------------------# # MOLECULAR GEOMETRY # #----------------------------------------------------------------------------# loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag O(2A) C(2A) 1.2281(19) 1_555 1_555 yes O(4A) C(4A) 1.2190(14) 1_555 1_555 yes N(3B) C(4B) 1.3490(10) 1_555 1_555 yes N(3B) C(2B) 1.3548(11) 1_555 1_555 yes N(4B) C(4B) 1.3411(17) 1_555 1_555 yes N(1B) C(2B) 1.3451(11) 1_555 1_555 yes N(1A) C(2A) 1.3688(12) 1_555 1_555 yes N(1A) C(4A) 1.3713(12) 1_555 1_555 yes N(2B) C(2B) 1.3394(13) 1_555 1_555 yes C(5A) C(4A) 1.5187(11) 1_555 1_555 yes C(8A) C(9A) 1.526(2) 1_555 1_555 yes C(7A) C(10A) 1.5233(18) 1_555 1_555 yes C(10A) H(11) 1.077 1_555 1_555 yes C(10A) H(12) 1.077 1_555 1_555 yes C(9A) H(91) 1.077 1_555 1_555 yes C(9A) H(92) 1.077 1_555 1_555 yes loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag C(4B) N(3B) C(2B) 114.81(9) 1_555 1_555 1_555 yes C(2A) N(1A) C(4A) 125.51(11) 1_555 1_555 1_555 yes N(3B) C(4B) N(4B) 117.61(6) 1_555 1_555 1_555 yes O(2A) C(2A) N(1A) 121.30(6) 1_555 1_555 1_555 yes O(4A) C(4A) N(1A) 120.45(11) 1_555 1_555 1_555 yes O(4A) C(4A) C(5A) 121.32(10) 1_555 1_555 1_555 yes N(1A) C(4A) C(5A) 118.16(9) 1_555 1_555 1_555 yes N(3B) C(2B) N(1B) 125.70(10) 1_555 1_555 1_555 yes N(3B) C(2B) N(2B) 116.71(9) 1_555 1_555 1_555 yes N(1B) C(2B) N(2B) 117.59(9) 1_555 1_555 1_555 yes C(7A) C(10A) H(11) 112.38 1_555 1_555 1_555 yes C(7A) C(10A) H(12) 109.08 1_555 1_555 1_555 yes H(11) C(10A) H(12) 107.45 1_555 1_555 1_555 yes C(8A) C(9A) H(91) 110.49 1_555 1_555 1_555 yes C(8A) C(9A) H(92) 109.47 1_555 1_555 1_555 yes H(91) C(9A) H(92) 107.86 1_555 1_555 1_555 yes