data_x10118 _audit_creation_method SHELXL-97 _chemical_name_systematic ; ? ; _chemical_name_common ? _chemical_melting_point ? _chemical_formula_moiety ? _chemical_formula_sum 'C38 H48 Br2 Co N2 O4' _chemical_formula_weight 815.53 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' 'Br' 'Br' -0.2901 2.4595 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'Co' 'Co' 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'N' 'N' 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 'O' 'O' 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' _symmetry_cell_setting 'triclinic' _symmetry_space_group_name_H-M 'P -1' loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, -y, -z' _cell_length_a 6.6135(2) _cell_length_b 9.6729(3) _cell_length_c 14.9230(5) _cell_angle_alpha 85.1702(17) _cell_angle_beta 82.1886(18) _cell_angle_gamma 81.5996(17) _cell_volume 933.63(5) _cell_formula_units_Z 1 _cell_measurement_temperature 110 _cell_measurement_reflns_used 3274 _cell_measurement_theta_min 3.14 _cell_measurement_theta_max 23.39 _exptl_crystal_description 'plate' _exptl_crystal_colour 'blue' _exptl_crystal_size_max 0.13 _exptl_crystal_size_mid 0.04 _exptl_crystal_size_min 0.01 _exptl_crystal_density_meas ? _exptl_crystal_density_diffrn 1.451 _exptl_crystal_density_method 'not measured' _exptl_crystal_F_000 419 _exptl_absorpt_coefficient_mu 2.640 _exptl_absorpt_correction_type 'multi-scan' _exptl_absorpt_correction_T_min 0.7220 _exptl_absorpt_correction_T_max 0.9741 _exptl_absorpt_process_details 'SADABS' _exptl_special_details ; ? ; _diffrn_ambient_temperature 110 _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 'Bruker-Nonius Kappa Axis X8 Apex2' _diffrn_measurement_method 'omega and phi scans' _diffrn_detector_area_resol_mean ? _diffrn_reflns_number 13825 _diffrn_reflns_av_R_equivalents 0.0841 _diffrn_reflns_av_sigmaI/netI 0.1145 _diffrn_reflns_limit_h_min -7 _diffrn_reflns_limit_h_max 7 _diffrn_reflns_limit_k_min -11 _diffrn_reflns_limit_k_max 11 _diffrn_reflns_limit_l_min -17 _diffrn_reflns_limit_l_max 17 _diffrn_reflns_theta_min 2.46 _diffrn_reflns_theta_max 25.03 _reflns_number_total 3183 _reflns_number_gt 1806 _reflns_threshold_expression >2sigma(I) _computing_data_collection 'Apex2' _computing_cell_refinement 'SAINT' _computing_data_reduction 'SAINT' _computing_structure_solution ? _computing_structure_refinement 'XL' _computing_molecular_graphics 'NRCVAX' _computing_publication_material 'cif2tables.py' _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^)+(0.0441P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _atom_sites_solution_primary isomor _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 3183 _refine_ls_number_parameters 214 _refine_ls_number_restraints 0 _refine_ls_R_factor_all 0.1283 _refine_ls_R_factor_gt 0.0518 _refine_ls_wR_factor_ref 0.1089 _refine_ls_wR_factor_gt 0.0871 _refine_ls_goodness_of_fit_ref 0.979 _refine_ls_restrained_S_all 0.979 _refine_ls_shift/su_max 0.000 _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 Co1 Co 0.0000 1.0000 0.0000 0.0258(3) Uani 1 2 d S . . O1 O -0.0970(5) 0.8745(4) -0.0755(3) 0.0364(10) Uani 1 1 d . . . O2 O 0.1797(5) 1.0449(3) -0.1121(2) 0.0288(9) Uani 1 1 d . . . N1 N 0.2169(7) 0.8330(5) 0.0332(3) 0.0315(12) Uani 1 1 d . . . C1 C 0.0086(8) 0.8733(5) -0.1558(4) 0.0295(14) Uani 1 1 d . . . C2 C 0.1549(8) 0.9690(5) -0.1780(3) 0.0276(13) Uani 1 1 d . . . C3 C 0.2617(8) 0.9821(6) -0.2682(4) 0.0348(15) Uani 1 1 d . . . C4 C 0.2248(9) 0.8877(6) -0.3273(4) 0.0408(16) Uani 1 1 d . . . H4 H 0.2964 0.8922 -0.3870 0.049 Uiso 1 1 calc R . . C5 C 0.0911(10) 0.7864(6) -0.3066(4) 0.0421(17) Uani 1 1 d . . . C6 C -0.0176(9) 0.7795(6) -0.2212(4) 0.0408(17) Uani 1 1 d . . . H6 H -0.1101 0.7124 -0.2057 0.049 Uiso 1 1 calc R . . C7 C 0.4078(9) 1.0920(6) -0.2950(3) 0.0354(15) Uani 1 1 d . . . C8 C 0.5896(9) 1.0673(6) -0.2394(4) 0.0442(17) Uani 1 1 d . . . H8A H 0.6804 1.1388 -0.2583 0.066 Uiso 1 1 calc R . . H8B H 0.6667 0.9743 -0.2496 0.066 Uiso 1 1 calc R . . H8C H 0.5380 1.0730 -0.1749 0.066 Uiso 1 1 calc R . . C9 C 0.2869(9) 1.2390(6) -0.2814(4) 0.0475(18) Uani 1 1 d . . . H9A H 0.1803 1.2574 -0.3221 0.071 Uiso 1 1 calc R . . H9B H 0.3814 1.3093 -0.2949 0.071 Uiso 1 1 calc R . . H9C H 0.2222 1.2437 -0.2184 0.071 Uiso 1 1 calc R . . C10 C 0.4959(9) 1.0917(6) -0.3956(3) 0.0504(18) Uani 1 1 d . . . H10A H 0.3843 1.1207 -0.4329 0.076 Uiso 1 1 calc R . . H10B H 0.5619 0.9972 -0.4095 0.076 Uiso 1 1 calc R . . H10C H 0.5979 1.1571 -0.4085 0.076 Uiso 1 1 calc R . . C11 C 0.0718(10) 0.6885(6) -0.3790(4) 0.0507(19) Uani 1 1 d . . . C12 C 0.2840(10) 0.6131(6) -0.4123(4) 0.0533(19) Uani 1 1 d . . . H12A H 0.3759 0.6822 -0.4357 0.080 Uiso 1 1 calc R . . H12B H 0.2722 0.5534 -0.4607 0.080 Uiso 1 1 calc R . . H12C H 0.3403 0.5552 -0.3620 0.080 Uiso 1 1 calc R . . C13 C -0.0699(11) 0.5797(7) -0.3433(5) 0.070(2) Uani 1 1 d . . . H13A H -0.0805 0.5203 -0.3921 0.105 Uiso 1 1 calc R . . H13B H -0.2070 0.6273 -0.3219 0.105 Uiso 1 1 calc R . . H13C H -0.0134 0.5216 -0.2931 0.105 Uiso 1 1 calc R . . C14 C -0.0192(12) 0.7775(7) -0.4593(4) 0.080(3) Uani 1 1 d . . . H14A H 0.0693 0.8487 -0.4825 0.120 Uiso 1 1 calc R . . H14B H -0.1578 0.8234 -0.4384 0.120 Uiso 1 1 calc R . . H14C H -0.0267 0.7166 -0.5077 0.120 Uiso 1 1 calc R . . C15 C 0.4194(8) 0.8247(7) 0.0062(4) 0.0391(16) Uani 1 1 d . . . H15 H 0.4676 0.8986 -0.0331 0.047 Uiso 1 1 calc R . . C16 C 0.5624(8) 0.7156(7) 0.0322(4) 0.0378(16) Uani 1 1 d . . . H16 H 0.7047 0.7141 0.0110 0.045 Uiso 1 1 calc R . . C17 C 0.4940(9) 0.6096(6) 0.0890(4) 0.0358(16) Uani 1 1 d . . . C18 C 0.2882(8) 0.6120(6) 0.1141(4) 0.0369(15) Uani 1 1 d . . . H18 H 0.2371 0.5369 0.1512 0.044 Uiso 1 1 calc R . . C19 C 0.1551(8) 0.7242(6) 0.0853(4) 0.0387(16) Uani 1 1 d . . . H19 H 0.0117 0.7245 0.1034 0.046 Uiso 1 1 calc R . . Br1 Br 0.68459(9) 0.46081(7) 0.13141(4) 0.0478(3) Uani 1 1 d . . . 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 Co1 0.0261(6) 0.0300(7) 0.0221(6) -0.0155(5) -0.0083(5) 0.0062(5) O1 0.031(2) 0.038(3) 0.043(3) -0.014(2) -0.015(2) -0.0003(18) O2 0.036(2) 0.027(2) 0.026(2) -0.0144(18) -0.0133(16) 0.0026(16) N1 0.032(3) 0.039(3) 0.028(3) -0.023(3) -0.005(2) -0.006(2) C1 0.033(3) 0.020(3) 0.037(4) -0.013(3) -0.021(3) 0.010(3) C2 0.035(3) 0.027(3) 0.023(3) -0.013(3) -0.016(3) 0.007(3) C3 0.046(4) 0.030(4) 0.029(3) -0.015(3) -0.024(3) 0.016(3) C4 0.055(4) 0.038(4) 0.029(3) -0.017(3) -0.025(3) 0.021(3) C5 0.058(4) 0.032(4) 0.040(4) -0.022(3) -0.031(3) 0.018(3) C6 0.041(4) 0.029(4) 0.058(4) -0.017(3) -0.033(3) 0.011(3) C7 0.057(4) 0.032(4) 0.017(3) -0.014(3) -0.012(3) 0.010(3) C8 0.054(4) 0.050(4) 0.029(3) -0.011(3) -0.014(3) 0.004(3) C9 0.079(5) 0.027(4) 0.032(4) -0.010(3) -0.017(3) 0.020(3) C10 0.077(5) 0.049(4) 0.024(3) -0.014(3) -0.015(3) 0.008(3) C11 0.076(5) 0.037(4) 0.047(4) -0.023(3) -0.045(4) 0.012(4) C12 0.099(5) 0.028(4) 0.035(4) -0.022(3) -0.029(4) 0.016(3) C13 0.093(6) 0.061(5) 0.070(5) -0.043(4) -0.047(4) 0.001(4) C14 0.125(6) 0.058(5) 0.064(5) -0.043(4) -0.069(5) 0.036(4) C15 0.022(3) 0.072(5) 0.027(3) -0.020(3) 0.002(3) -0.013(3) C16 0.018(3) 0.071(5) 0.028(3) -0.031(4) -0.003(3) 0.000(3) C17 0.030(4) 0.039(4) 0.040(4) -0.025(3) -0.009(3) 0.003(3) C18 0.035(4) 0.023(4) 0.053(4) -0.017(3) -0.004(3) 0.001(3) C19 0.020(3) 0.030(4) 0.068(4) -0.024(4) -0.001(3) -0.003(3) Br1 0.0390(4) 0.0522(5) 0.0553(5) -0.0336(4) -0.0204(3) 0.0138(3) _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 Co1 O1 1.952(3) 2_575 ? Co1 O1 1.952(3) . ? Co1 O2 1.972(3) 2_575 ? Co1 O2 1.972(3) . ? Co1 N1 2.072(4) 2_575 ? Co1 N1 2.072(4) . ? O1 C1 1.303(6) . ? O2 C2 1.317(5) . ? N1 C19 1.334(7) . ? N1 C15 1.338(6) . ? C1 C2 1.423(7) . ? C1 C6 1.431(7) . ? C2 C3 1.438(8) . ? C3 C4 1.389(7) . ? C3 C7 1.532(8) . ? C4 C5 1.402(8) . ? C4 H4 0.9500 . ? C5 C6 1.377(8) . ? C5 C11 1.524(7) . ? C6 H6 0.9500 . ? C7 C8 1.531(7) . ? C7 C10 1.534(7) . ? C7 C9 1.541(7) . ? C8 H8A 0.9800 . ? C8 H8B 0.9800 . ? C8 H8C 0.9800 . ? C9 H9A 0.9800 . ? C9 H9B 0.9800 . ? C9 H9C 0.9800 . ? C10 H10A 0.9800 . ? C10 H10B 0.9800 . ? C10 H10C 0.9800 . ? C11 C12 1.523(8) . ? C11 C13 1.526(9) . ? C11 C14 1.553(8) . ? C12 H12A 0.9800 . ? C12 H12B 0.9800 . ? C12 H12C 0.9800 . ? C13 H13A 0.9800 . ? C13 H13B 0.9800 . ? C13 H13C 0.9800 . ? C14 H14A 0.9800 . ? C14 H14B 0.9800 . ? C14 H14C 0.9800 . ? C15 C16 1.377(8) . ? C15 H15 0.9500 . ? C16 C17 1.364(8) . ? C16 H16 0.9500 . ? C17 C18 1.359(7) . ? C17 Br1 1.896(6) . ? C18 C19 1.373(8) . ? C18 H18 0.9500 . ? C19 H19 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 O1 Co1 O1 180.00(16) 2_575 . ? O1 Co1 O2 83.48(14) 2_575 2_575 ? O1 Co1 O2 96.52(14) . 2_575 ? O1 Co1 O2 96.52(15) 2_575 . ? O1 Co1 O2 83.48(14) . . ? O2 Co1 O2 180.00(18) 2_575 . ? O1 Co1 N1 86.90(15) 2_575 2_575 ? O1 Co1 N1 93.10(15) . 2_575 ? O2 Co1 N1 90.23(16) 2_575 2_575 ? O2 Co1 N1 89.77(16) . 2_575 ? O1 Co1 N1 93.10(15) 2_575 . ? O1 Co1 N1 86.90(15) . . ? O2 Co1 N1 89.77(16) 2_575 . ? O2 Co1 N1 90.23(16) . . ? N1 Co1 N1 180.0(2) 2_575 . ? C1 O1 Co1 111.1(3) . . ? C2 O2 Co1 111.2(3) . . ? C19 N1 C15 116.0(5) . . ? C19 N1 Co1 119.2(4) . . ? C15 N1 Co1 124.8(4) . . ? O1 C1 C2 118.1(4) . . ? O1 C1 C6 122.2(6) . . ? C2 C1 C6 119.7(6) . . ? O2 C2 C1 115.9(5) . . ? O2 C2 C3 123.5(5) . . ? C1 C2 C3 120.6(5) . . ? C4 C3 C2 115.4(6) . . ? C4 C3 C7 123.4(5) . . ? C2 C3 C7 121.3(4) . . ? C3 C4 C5 125.6(6) . . ? C3 C4 H4 117.2 . . ? C5 C4 H4 117.2 . . ? C6 C5 C4 118.3(5) . . ? C6 C5 C11 122.7(6) . . ? C4 C5 C11 119.0(6) . . ? C5 C6 C1 120.1(6) . . ? C5 C6 H6 119.9 . . ? C1 C6 H6 119.9 . . ? C8 C7 C3 111.4(5) . . ? C8 C7 C10 107.7(5) . . ? C3 C7 C10 112.2(4) . . ? C8 C7 C9 110.2(4) . . ? C3 C7 C9 109.1(5) . . ? C10 C7 C9 106.0(5) . . ? C7 C8 H8A 109.5 . . ? C7 C8 H8B 109.5 . . ? H8A C8 H8B 109.5 . . ? C7 C8 H8C 109.5 . . ? H8A C8 H8C 109.5 . . ? H8B C8 H8C 109.5 . . ? C7 C9 H9A 109.5 . . ? C7 C9 H9B 109.5 . . ? H9A C9 H9B 109.5 . . ? C7 C9 H9C 109.5 . . ? H9A C9 H9C 109.5 . . ? H9B C9 H9C 109.5 . . ? C7 C10 H10A 109.5 . . ? C7 C10 H10B 109.5 . . ? H10A C10 H10B 109.5 . . ? C7 C10 H10C 109.5 . . ? H10A C10 H10C 109.5 . . ? H10B C10 H10C 109.5 . . ? C12 C11 C5 109.6(5) . . ? C12 C11 C13 108.9(5) . . ? C5 C11 C13 112.0(6) . . ? C12 C11 C14 109.4(5) . . ? C5 C11 C14 108.4(5) . . ? C13 C11 C14 108.5(5) . . ? C11 C12 H12A 109.5 . . ? C11 C12 H12B 109.5 . . ? H12A C12 H12B 109.5 . . ? C11 C12 H12C 109.5 . . ? H12A C12 H12C 109.5 . . ? H12B C12 H12C 109.5 . . ? C11 C13 H13A 109.5 . . ? C11 C13 H13B 109.5 . . ? H13A C13 H13B 109.5 . . ? C11 C13 H13C 109.5 . . ? H13A C13 H13C 109.5 . . ? H13B C13 H13C 109.5 . . ? C11 C14 H14A 109.5 . . ? C11 C14 H14B 109.5 . . ? H14A C14 H14B 109.5 . . ? C11 C14 H14C 109.5 . . ? H14A C14 H14C 109.5 . . ? H14B C14 H14C 109.5 . . ? N1 C15 C16 124.0(6) . . ? N1 C15 H15 118.0 . . ? C16 C15 H15 118.0 . . ? C17 C16 C15 118.2(5) . . ? C17 C16 H16 120.9 . . ? C15 C16 H16 120.9 . . ? C18 C17 C16 119.1(5) . . ? C18 C17 Br1 120.8(5) . . ? C16 C17 Br1 120.1(4) . . ? C17 C18 C19 119.3(6) . . ? C17 C18 H18 120.4 . . ? C19 C18 H18 120.4 . . ? N1 C19 C18 123.3(5) . . ? N1 C19 H19 118.3 . . ? C18 C19 H19 118.3 . . ? 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 O1 Co1 O1 C1 -111(100) 2_575 . . . ? O2 Co1 O1 C1 -175.2(3) 2_575 . . . ? O2 Co1 O1 C1 4.8(3) . . . . ? N1 Co1 O1 C1 94.2(3) 2_575 . . . ? N1 Co1 O1 C1 -85.8(3) . . . . ? O1 Co1 O2 C2 177.4(3) 2_575 . . . ? O1 Co1 O2 C2 -2.6(3) . . . . ? O2 Co1 O2 C2 0(100) 2_575 . . . ? N1 Co1 O2 C2 -95.7(3) 2_575 . . . ? N1 Co1 O2 C2 84.3(3) . . . . ? O1 Co1 N1 C19 110.1(4) 2_575 . . . ? O1 Co1 N1 C19 -69.9(4) . . . . ? O2 Co1 N1 C19 26.7(4) 2_575 . . . ? O2 Co1 N1 C19 -153.3(4) . . . . ? N1 Co1 N1 C19 0(100) 2_575 . . . ? O1 Co1 N1 C15 -69.7(4) 2_575 . . . ? O1 Co1 N1 C15 110.3(4) . . . . ? O2 Co1 N1 C15 -153.2(4) 2_575 . . . ? O2 Co1 N1 C15 26.8(4) . . . . ? N1 Co1 N1 C15 0(100) 2_575 . . . ? Co1 O1 C1 C2 -6.2(5) . . . . ? Co1 O1 C1 C6 173.6(4) . . . . ? Co1 O2 C2 C1 0.0(5) . . . . ? Co1 O2 C2 C3 178.2(4) . . . . ? O1 C1 C2 O2 4.3(7) . . . . ? C6 C1 C2 O2 -175.5(4) . . . . ? O1 C1 C2 C3 -174.0(4) . . . . ? C6 C1 C2 C3 6.2(7) . . . . ? O2 C2 C3 C4 176.5(4) . . . . ? C1 C2 C3 C4 -5.4(7) . . . . ? O2 C2 C3 C7 -2.6(7) . . . . ? C1 C2 C3 C7 175.5(4) . . . . ? C2 C3 C4 C5 1.7(8) . . . . ? C7 C3 C4 C5 -179.2(5) . . . . ? C3 C4 C5 C6 1.2(8) . . . . ? C3 C4 C5 C11 -178.7(5) . . . . ? C4 C5 C6 C1 -0.6(8) . . . . ? C11 C5 C6 C1 179.3(5) . . . . ? O1 C1 C6 C5 177.1(4) . . . . ? C2 C1 C6 C5 -3.1(7) . . . . ? C4 C3 C7 C8 -116.9(5) . . . . ? C2 C3 C7 C8 62.0(6) . . . . ? C4 C3 C7 C10 3.9(7) . . . . ? C2 C3 C7 C10 -177.1(4) . . . . ? C4 C3 C7 C9 121.1(5) . . . . ? C2 C3 C7 C9 -59.9(6) . . . . ? C6 C5 C11 C12 -124.2(6) . . . . ? C4 C5 C11 C12 55.6(7) . . . . ? C6 C5 C11 C13 -3.2(8) . . . . ? C4 C5 C11 C13 176.6(5) . . . . ? C6 C5 C11 C14 116.4(7) . . . . ? C4 C5 C11 C14 -63.7(7) . . . . ? C19 N1 C15 C16 -2.7(7) . . . . ? Co1 N1 C15 C16 177.1(4) . . . . ? N1 C15 C16 C17 -0.3(8) . . . . ? C15 C16 C17 C18 3.3(7) . . . . ? C15 C16 C17 Br1 -177.2(4) . . . . ? C16 C17 C18 C19 -3.2(8) . . . . ? Br1 C17 C18 C19 177.3(4) . . . . ? C15 N1 C19 C18 2.9(7) . . . . ? Co1 N1 C19 C18 -177.0(4) . . . . ? C17 C18 C19 N1 0.0(8) . . . . ? _diffrn_measured_fraction_theta_max 0.966 _diffrn_reflns_theta_full 25.03 _diffrn_measured_fraction_theta_full 0.966 _refine_diff_density_max 0.416 _refine_diff_density_min -0.540 _refine_diff_density_rms 0.100