data_mb22 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C14 H14 Pd' _chemical_formula_weight 288.65 loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source 'C' 'C' 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'H' 'H' 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Pd' 'Pd' -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting Orthorhombic _symmetry_space_group_name_H-M Pbca loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' 'x+1/2, -y+1/2, -z' '-x, y+1/2, -z+1/2' '-x+1/2, -y, z+1/2' '-x, -y, -z' '-x-1/2, y-1/2, z' 'x, -y-1/2, z-1/2' 'x-1/2, y, -z-1/2' _cell_length_a 9.8908(3) _cell_length_b 12.4381(3) _cell_length_c 18.2355(5) _cell_angle_alpha 90.00 _cell_angle_beta 90.00 _cell_angle_gamma 90.00 _cell_volume 2243.38(11) _cell_formula_units_Z 8 _cell_measurement_temperature 180(2) _cell_measurement_reflns_used 4893 _cell_measurement_theta_min 3.04 _cell_measurement_theta_max 27.20 _exptl_crystal_description plate _exptl_crystal_colour purple _exptl_crystal_size_max 0.28 _exptl_crystal_size_mid 0.28 _exptl_crystal_size_min 0.10 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.709 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 1152 _exptl_absorpt_coefficient_mu 1.615 _exptl_absorpt_correction_type multi-scan _exptl_absorpt_correction_T_min 0.6614 _exptl_absorpt_correction_T_max 0.8500 _exptl_absorpt_process_details ? _exptl_special_details ; ? ; _diffrn_ambient_temperature 180(2) _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_type MoK\a _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_monochromator graphite _diffrn_measurement_device_type 'CCD area detector' _diffrn_measurement_method 'phi and omega scans' _diffrn_detector_area_resol_mean ? _diffrn_standards_number ? _diffrn_standards_interval_count ? _diffrn_standards_interval_time ? _diffrn_standards_decay_% ? _diffrn_reflns_number 12974 _diffrn_reflns_av_R_equivalents 0.0308 _diffrn_reflns_av_sigmaI/netI 0.0220 _diffrn_reflns_limit_h_min -9 _diffrn_reflns_limit_h_max 12 _diffrn_reflns_limit_k_min -15 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -22 _diffrn_reflns_limit_l_max 19 _diffrn_reflns_theta_min 2.86 _diffrn_reflns_theta_max 26.00 _reflns_number_total 2200 _reflns_number_gt 1836 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Bruker SMART' _computing_cell_refinement 'Bruker SMART' _computing_data_reduction 'Bruker SAINT' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_molecular_graphics 'Bruker SHELXTL' _computing_publication_material 'Bruker SHELXTL' _refine_special_details ; Refinement of F^2^ against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F^2^, conventional R-factors R are based on F, with F set to zero for negative F^2^. The threshold expression of F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F^2^ are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger. ; _refine_ls_structure_factor_coef Fsqd _refine_ls_matrix_type full _refine_ls_weighting_scheme calc _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0222P)^2^+2.5919P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _atom_sites_solution_hydrogens geom _refine_ls_hydrogen_treatment constr _refine_ls_extinction_method none _refine_ls_extinction_coef ? _refine_ls_number_reflns 2200 _refine_ls_number_parameters 136 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.0296 _refine_ls_R_factor_gt 0.0227 _refine_ls_wR_factor_ref 0.0557 _refine_ls_wR_factor_gt 0.0514 _refine_ls_goodness_of_fit_ref 1.045 _refine_ls_restrained_S_all 1.045 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 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 _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Pd1 Pd 0.285089(19) 0.775117(16) 0.587554(10) 0.02245(8) Uani 1 1 d . . . C1 C 0.2577(3) 0.6226(3) 0.66247(14) 0.0344(7) Uani 1 1 d . . . H1A H 0.2691 0.5462 0.6465 0.041 Uiso 1 1 calc R . . C2 C 0.3555(3) 0.6852(2) 0.69775(14) 0.0298(6) Uani 1 1 d . . . H2A H 0.4497 0.6624 0.7101 0.036 Uiso 1 1 calc R . . C3 C 0.2970(3) 0.7858(2) 0.71294(15) 0.0319(7) Uani 1 1 d . . . H3A H 0.3412 0.8451 0.7412 0.038 Uiso 1 1 calc R . . C4 C 0.1577(3) 0.7817(3) 0.69319(15) 0.0375(7) Uani 1 1 d . . . H4A H 0.0877 0.8370 0.7054 0.045 Uiso 1 1 calc R . . C5 C 0.1339(3) 0.6824(3) 0.66087(15) 0.0379(7) Uani 1 1 d . . . H5A H 0.0438 0.6542 0.6451 0.045 Uiso 1 1 calc R . . C6 C 0.3520(3) 0.9173(2) 0.53446(15) 0.0322(6) Uani 1 1 d . . . H6A H 0.2813 0.9654 0.5143 0.039 Uiso 1 1 calc R . . H6B H 0.4287 0.9560 0.5573 0.039 Uiso 1 1 calc R . . C7 C 0.3836(3) 0.8250(2) 0.49326(15) 0.0331(6) Uani 1 1 d . . . H7A H 0.4793 0.8039 0.4827 0.040 Uiso 1 1 calc R . . C8 C 0.2743(3) 0.7631(2) 0.46879(15) 0.0303(6) Uani 1 1 d . . . H8A H 0.2003 0.8087 0.4480 0.036 Uiso 1 1 calc R . . C9 C 0.2875(3) 0.6598(2) 0.42962(14) 0.0268(6) Uani 1 1 d . . . C10 C 0.4019(3) 0.5956(2) 0.43230(16) 0.0338(7) Uani 1 1 d . . . H10A H 0.4762 0.6164 0.4621 0.041 Uiso 1 1 calc R . . C11 C 0.4093(3) 0.5011(3) 0.39183(17) 0.0383(7) Uani 1 1 d . . . H11A H 0.4885 0.4580 0.3941 0.046 Uiso 1 1 calc R . . C12 C 0.3024(3) 0.4696(2) 0.34844(16) 0.0380(7) Uani 1 1 d . . . H12A H 0.3080 0.4054 0.3204 0.046 Uiso 1 1 calc R . . C13 C 0.1879(3) 0.5317(2) 0.34604(15) 0.0352(7) Uani 1 1 d . . . H13A H 0.1133 0.5096 0.3169 0.042 Uiso 1 1 calc R . . C14 C 0.1800(3) 0.6261(2) 0.38561(15) 0.0322(6) Uani 1 1 d . . . H14A H 0.1005 0.6687 0.3829 0.039 Uiso 1 1 calc R . . 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 Pd1 0.02365(12) 0.02525(13) 0.01844(12) -0.00049(8) 0.00294(7) -0.00029(8) C1 0.0490(18) 0.0321(15) 0.0220(14) 0.0028(12) 0.0031(12) -0.0086(13) C2 0.0295(14) 0.0428(16) 0.0172(13) 0.0030(11) -0.0002(11) 0.0007(13) C3 0.0365(16) 0.0388(17) 0.0204(14) -0.0076(12) 0.0049(11) -0.0020(13) C4 0.0301(15) 0.058(2) 0.0245(15) -0.0006(14) 0.0094(12) 0.0061(15) C5 0.0296(16) 0.062(2) 0.0219(14) 0.0088(14) 0.0007(11) -0.0155(15) C6 0.0395(16) 0.0279(15) 0.0293(15) 0.0033(12) 0.0013(12) -0.0016(13) C7 0.0357(16) 0.0350(16) 0.0286(15) 0.0061(12) 0.0071(12) -0.0036(13) C8 0.0347(16) 0.0351(16) 0.0212(14) 0.0057(11) 0.0021(11) 0.0038(13) C9 0.0363(15) 0.0271(14) 0.0170(12) 0.0042(10) 0.0063(11) -0.0031(12) C10 0.0324(16) 0.0383(17) 0.0307(15) 0.0016(12) 0.0004(12) -0.0027(13) C11 0.0379(16) 0.0386(17) 0.0383(17) 0.0015(14) 0.0094(13) 0.0071(14) C12 0.059(2) 0.0277(15) 0.0270(15) -0.0010(12) 0.0073(14) -0.0027(15) C13 0.0429(17) 0.0395(17) 0.0231(15) 0.0044(12) -0.0024(12) -0.0114(14) C14 0.0339(15) 0.0373(16) 0.0253(14) 0.0092(12) 0.0044(12) 0.0020(13) _geom_special_details ; All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes. ; loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 _geom_bond_publ_flag Pd1 C7 2.072(3) . ? Pd1 C6 2.123(3) . ? Pd1 C8 2.174(3) . ? Pd1 C3 2.293(3) . ? Pd1 C4 2.303(3) . ? Pd1 C5 2.313(3) . ? Pd1 C1 2.353(3) . ? Pd1 C2 2.403(3) . ? C1 C2 1.398(4) . ? C1 C5 1.433(5) . ? C1 H1A 1.0000 . ? C2 C3 1.406(4) . ? C2 H2A 1.0000 . ? C3 C4 1.425(4) . ? C3 H3A 1.0000 . ? C4 C5 1.388(5) . ? C4 H4A 1.0000 . ? C5 H5A 1.0000 . ? C6 C7 1.408(4) . ? C6 H6A 0.9900 . ? C6 H6B 0.9900 . ? C7 C8 1.400(4) . ? C7 H7A 1.0000 . ? C8 C9 1.476(4) . ? C8 H8A 1.0000 . ? C9 C10 1.386(4) . ? C9 C14 1.396(4) . ? C10 C11 1.390(4) . ? C10 H10A 0.9500 . ? C11 C12 1.377(4) . ? C11 H11A 0.9500 . ? C12 C13 1.372(4) . ? C12 H12A 0.9500 . ? C13 C14 1.380(4) . ? C13 H13A 0.9500 . ? C14 H14A 0.9500 . ? 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_3 _geom_angle_publ_flag C7 Pd1 C6 39.21(11) . . ? C7 Pd1 C8 38.42(11) . . ? C6 Pd1 C8 67.54(11) . . ? C7 Pd1 C3 141.83(11) . . ? C6 Pd1 C3 112.99(11) . . ? C8 Pd1 C3 179.36(11) . . ? C7 Pd1 C4 160.21(12) . . ? C6 Pd1 C4 121.49(11) . . ? C8 Pd1 C4 143.99(11) . . ? C3 Pd1 C4 36.13(11) . . ? C7 Pd1 C5 158.90(11) . . ? C6 Pd1 C5 151.71(12) . . ? C8 Pd1 C5 120.66(11) . . ? C3 Pd1 C5 59.05(10) . . ? C4 Pd1 C5 35.00(11) . . ? C7 Pd1 C1 141.01(11) . . ? C6 Pd1 C1 166.54(11) . . ? C8 Pd1 C1 121.16(11) . . ? C3 Pd1 C1 58.24(10) . . ? C4 Pd1 C1 58.69(11) . . ? C5 Pd1 C1 35.75(11) . . ? C7 Pd1 C2 134.20(11) . . ? C6 Pd1 C2 132.77(11) . . ? C8 Pd1 C2 144.63(10) . . ? C3 Pd1 C2 34.74(10) . . ? C4 Pd1 C2 58.39(10) . . ? C5 Pd1 C2 58.13(10) . . ? C1 Pd1 C2 34.17(10) . . ? C2 C1 C5 108.1(3) . . ? C2 C1 Pd1 74.86(17) . . ? C5 C1 Pd1 70.60(16) . . ? C2 C1 H1A 125.8 . . ? C5 C1 H1A 125.8 . . ? Pd1 C1 H1A 125.8 . . ? C1 C2 C3 107.5(3) . . ? C1 C2 Pd1 70.97(15) . . ? C3 C2 Pd1 68.36(16) . . ? C1 C2 H2A 126.2 . . ? C3 C2 H2A 126.2 . . ? Pd1 C2 H2A 126.2 . . ? C2 C3 C4 108.5(3) . . ? C2 C3 Pd1 76.90(16) . . ? C4 C3 Pd1 72.32(16) . . ? C2 C3 H3A 125.3 . . ? C4 C3 H3A 125.3 . . ? Pd1 C3 H3A 125.3 . . ? C5 C4 C3 107.6(3) . . ? C5 C4 Pd1 72.89(16) . . ? C3 C4 Pd1 71.55(16) . . ? C5 C4 H4A 126.1 . . ? C3 C4 H4A 126.1 . . ? Pd1 C4 H4A 126.1 . . ? C4 C5 C1 108.0(3) . . ? C4 C5 Pd1 72.11(16) . . ? C1 C5 Pd1 73.65(16) . . ? C4 C5 H5A 125.8 . . ? C1 C5 H5A 125.8 . . ? Pd1 C5 H5A 125.8 . . ? C7 C6 Pd1 68.44(16) . . ? C7 C6 H6A 116.8 . . ? Pd1 C6 H6A 116.8 . . ? C7 C6 H6B 116.8 . . ? Pd1 C6 H6B 116.8 . . ? H6A C6 H6B 113.8 . . ? C8 C7 C6 116.5(3) . . ? C8 C7 Pd1 74.74(16) . . ? C6 C7 Pd1 72.35(16) . . ? C8 C7 H7A 121.7 . . ? C6 C7 H7A 121.7 . . ? Pd1 C7 H7A 121.7 . . ? C7 C8 C9 124.3(3) . . ? C7 C8 Pd1 66.85(15) . . ? C9 C8 Pd1 122.51(19) . . ? C7 C8 H8A 112.0 . . ? C9 C8 H8A 112.0 . . ? Pd1 C8 H8A 112.0 . . ? C10 C9 C14 118.0(3) . . ? C10 C9 C8 123.8(3) . . ? C14 C9 C8 118.2(3) . . ? C9 C10 C11 120.7(3) . . ? C9 C10 H10A 119.6 . . ? C11 C10 H10A 119.6 . . ? C12 C11 C10 120.4(3) . . ? C12 C11 H11A 119.8 . . ? C10 C11 H11A 119.8 . . ? C13 C12 C11 119.5(3) . . ? C13 C12 H12A 120.3 . . ? C11 C12 H12A 120.3 . . ? C12 C13 C14 120.6(3) . . ? C12 C13 H13A 119.7 . . ? C14 C13 H13A 119.7 . . ? C13 C14 C9 120.9(3) . . ? C13 C14 H14A 119.6 . . ? C9 C14 H14A 119.6 . . ? loop_ _geom_torsion_atom_site_label_1 _geom_torsion_atom_site_label_2 _geom_torsion_atom_site_label_3 _geom_torsion_atom_site_label_4 _geom_torsion _geom_torsion_site_symmetry_1 _geom_torsion_site_symmetry_2 _geom_torsion_site_symmetry_3 _geom_torsion_site_symmetry_4 _geom_torsion_publ_flag C7 Pd1 C1 C2 98.8(2) . . . . ? C6 Pd1 C1 C2 16.2(5) . . . . ? C8 Pd1 C1 C2 143.71(17) . . . . ? C3 Pd1 C1 C2 -36.01(17) . . . . ? C4 Pd1 C1 C2 -78.68(18) . . . . ? C5 Pd1 C1 C2 -115.9(2) . . . . ? C7 Pd1 C1 C5 -145.28(19) . . . . ? C6 Pd1 C1 C5 132.2(4) . . . . ? C8 Pd1 C1 C5 -100.38(19) . . . . ? C3 Pd1 C1 C5 79.90(18) . . . . ? C4 Pd1 C1 C5 37.24(17) . . . . ? C2 Pd1 C1 C5 115.9(2) . . . . ? C5 C1 C2 C3 -4.4(3) . . . . ? Pd1 C1 C2 C3 58.79(19) . . . . ? C5 C1 C2 Pd1 -63.21(18) . . . . ? C7 Pd1 C2 C1 -119.9(2) . . . . ? C6 Pd1 C2 C1 -174.91(18) . . . . ? C8 Pd1 C2 C1 -61.1(3) . . . . ? C3 Pd1 C2 C1 118.7(3) . . . . ? C4 Pd1 C2 C1 79.6(2) . . . . ? C5 Pd1 C2 C1 38.23(18) . . . . ? C7 Pd1 C2 C3 121.47(19) . . . . ? C6 Pd1 C2 C3 66.4(2) . . . . ? C8 Pd1 C2 C3 -179.74(18) . . . . ? C4 Pd1 C2 C3 -39.04(18) . . . . ? C5 Pd1 C2 C3 -80.45(19) . . . . ? C1 Pd1 C2 C3 -118.7(3) . . . . ? C1 C2 C3 C4 5.6(3) . . . . ? Pd1 C2 C3 C4 66.02(19) . . . . ? C1 C2 C3 Pd1 -60.44(19) . . . . ? C7 Pd1 C3 C2 -98.3(2) . . . . ? C6 Pd1 C3 C2 -133.05(17) . . . . ? C8 Pd1 C3 C2 13(10) . . . . ? C4 Pd1 C3 C2 114.5(3) . . . . ? C5 Pd1 C3 C2 77.54(19) . . . . ? C1 Pd1 C3 C2 35.41(17) . . . . ? C7 Pd1 C3 C4 147.1(2) . . . . ? C6 Pd1 C3 C4 112.4(2) . . . . ? C8 Pd1 C3 C4 -101(10) . . . . ? C5 Pd1 C3 C4 -37.01(19) . . . . ? C1 Pd1 C3 C4 -79.1(2) . . . . ? C2 Pd1 C3 C4 -114.5(3) . . . . ? C2 C3 C4 C5 -4.6(3) . . . . ? Pd1 C3 C4 C5 64.47(19) . . . . ? C2 C3 C4 Pd1 -69.07(19) . . . . ? C7 Pd1 C4 C5 146.6(3) . . . . ? C6 Pd1 C4 C5 157.73(18) . . . . ? C8 Pd1 C4 C5 63.1(3) . . . . ? C3 Pd1 C4 C5 -115.8(3) . . . . ? C1 Pd1 C4 C5 -38.05(18) . . . . ? C2 Pd1 C4 C5 -78.3(2) . . . . ? C7 Pd1 C4 C3 -97.5(4) . . . . ? C6 Pd1 C4 C3 -86.4(2) . . . . ? C8 Pd1 C4 C3 178.93(18) . . . . ? C5 Pd1 C4 C3 115.8(3) . . . . ? C1 Pd1 C4 C3 77.78(19) . . . . ? C2 Pd1 C4 C3 37.49(17) . . . . ? C3 C4 C5 C1 1.8(3) . . . . ? Pd1 C4 C5 C1 65.42(19) . . . . ? C3 C4 C5 Pd1 -63.6(2) . . . . ? C2 C1 C5 C4 1.6(3) . . . . ? Pd1 C1 C5 C4 -64.41(19) . . . . ? C2 C1 C5 Pd1 66.00(19) . . . . ? C7 Pd1 C5 C4 -148.9(3) . . . . ? C6 Pd1 C5 C4 -43.0(3) . . . . ? C8 Pd1 C5 C4 -142.45(18) . . . . ? C3 Pd1 C5 C4 38.23(18) . . . . ? C1 Pd1 C5 C4 115.7(2) . . . . ? C2 Pd1 C5 C4 79.16(19) . . . . ? C7 Pd1 C5 C1 95.5(3) . . . . ? C6 Pd1 C5 C1 -158.6(2) . . . . ? C8 Pd1 C5 C1 101.89(18) . . . . ? C3 Pd1 C5 C1 -77.44(17) . . . . ? C4 Pd1 C5 C1 -115.7(2) . . . . ? C2 Pd1 C5 C1 -36.50(16) . . . . ? C8 Pd1 C6 C7 -33.44(17) . . . . ? C3 Pd1 C6 C7 146.18(17) . . . . ? C4 Pd1 C6 C7 -174.08(17) . . . . ? C5 Pd1 C6 C7 -146.8(2) . . . . ? C1 Pd1 C6 C7 99.3(5) . . . . ? C2 Pd1 C6 C7 111.61(19) . . . . ? Pd1 C6 C7 C8 62.1(2) . . . . ? C6 Pd1 C7 C8 -125.0(3) . . . . ? C3 Pd1 C7 C8 179.04(17) . . . . ? C4 Pd1 C7 C8 -109.9(3) . . . . ? C5 Pd1 C7 C8 8.9(4) . . . . ? C1 Pd1 C7 C8 76.5(2) . . . . ? C2 Pd1 C7 C8 127.19(17) . . . . ? C8 Pd1 C7 C6 125.0(3) . . . . ? C3 Pd1 C7 C6 -56.0(3) . . . . ? C4 Pd1 C7 C6 15.0(4) . . . . ? C5 Pd1 C7 C6 133.8(3) . . . . ? C1 Pd1 C7 C6 -158.58(18) . . . . ? C2 Pd1 C7 C6 -107.9(2) . . . . ? C6 C7 C8 C9 -175.4(3) . . . . ? Pd1 C7 C8 C9 -114.6(3) . . . . ? C6 C7 C8 Pd1 -60.8(2) . . . . ? C6 Pd1 C8 C7 34.10(18) . . . . ? C3 Pd1 C8 C7 -113(10) . . . . ? C4 Pd1 C8 C7 147.2(2) . . . . ? C5 Pd1 C8 C7 -176.29(18) . . . . ? C1 Pd1 C8 C7 -134.37(18) . . . . ? C2 Pd1 C8 C7 -99.3(2) . . . . ? C7 Pd1 C8 C9 117.1(3) . . . . ? C6 Pd1 C8 C9 151.2(3) . . . . ? C3 Pd1 C8 C9 4(10) . . . . ? C4 Pd1 C8 C9 -95.7(3) . . . . ? C5 Pd1 C8 C9 -59.2(3) . . . . ? C1 Pd1 C8 C9 -17.3(3) . . . . ? C2 Pd1 C8 C9 17.8(3) . . . . ? C7 C8 C9 C10 21.1(4) . . . . ? Pd1 C8 C9 C10 -61.4(3) . . . . ? C7 C8 C9 C14 -157.0(3) . . . . ? Pd1 C8 C9 C14 120.5(2) . . . . ? C14 C9 C10 C11 0.5(4) . . . . ? C8 C9 C10 C11 -177.6(3) . . . . ? C9 C10 C11 C12 -0.2(5) . . . . ? C10 C11 C12 C13 -0.7(4) . . . . ? C11 C12 C13 C14 1.1(4) . . . . ? C12 C13 C14 C9 -0.8(4) . . . . ? C10 C9 C14 C13 0.0(4) . . . . ? C8 C9 C14 C13 178.2(2) . . . . ? _diffrn_measured_fraction_theta_max 0.999 _diffrn_reflns_theta_full 26.00 _diffrn_measured_fraction_theta_full 0.999 _refine_diff_density_max 0.550 _refine_diff_density_min -0.495 _refine_diff_density_rms 0.107