Supplementary Material (ESI) for Dalton Transactions
This journal is (c) The Royal Society of Chemistry 2002

data_VG0159 

_database_code_CSD	181355


_journal_coden_Cambridge      186

_publ_requested_journal       'Dalton Transactions'

loop_
_publ_author_name
'Gibson, Vernon'
'Tomov, Atanas'
'Wass, Duncan F.'
'White, A.J.P.'
'Williams, D.'


_publ_contact_author_name     	'Prof Vernon Gibson'  
_publ_contact_author_address 
;
Chemistry
Imperial College
Exhibition Road
London
SW7 2AY
UNITED KINGDOM
;

_publ_contact_author_email       'V.GIBSON@IC.AC.UK'

_publ_section_title		
;
Ethylene Polymerisation by a Copper Catalyst Bearing a-Diimine
Ligands
;

_audit_creation_method            SHELXL 
_chemical_name_systematic 
; 
? 
; 
_chemical_name_common             ? 
_chemical_formula_moiety          ? 
_chemical_formula_structural      ? 
_chemical_formula_analytical      ? 
_chemical_formula_sum             'C40 H32 N2 Cl2 Cu'
_chemical_formula_weight          675.12 
_chemical_melting_point           ? 
_chemical_compound_source         ? 

loop_ 
_atom_type_symbol 
_atom_type_description 
_atom_type_scat_dispersion_real 
_atom_type_scat_dispersion_imag 
_atom_type_scat_source 
'C'  'C'   0.0181   0.0091 
'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' 
'N'  'N'   0.0311   0.0180 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Cl'  'Cl'   0.3639   0.7018 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 
'Cu'  'Cu'  -1.9646   0.5888 
'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 

_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P21/c 

loop_ 
_symmetry_equiv_pos_as_xyz 
'x, y, z' 
'-x, y+1/2, -z+1/2' 
'-x, -y, -z' 
'x, -y-1/2, z-1/2' 

_cell_length_a                    11.3714(3) 
_cell_length_b                    14.5373(7) 
_cell_length_c                    20.1934(9) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  92.238(6) 
_cell_angle_gamma                 90.00 
_cell_volume                      3335.6(2) 
_cell_formula_units_Z             4 
_cell_measurement_temperature     293(2) 
_cell_measurement_reflns_used     26 
_cell_measurement_theta_min       10.96 
_cell_measurement_theta_max       24.95 

_exptl_crystal_description        'prismatic needles' 
_exptl_crystal_colour             Green 
_exptl_crystal_size_max           0.67 
_exptl_crystal_size_mid           0.20 
_exptl_crystal_size_min           0.17 
_exptl_crystal_density_meas       ? 
_exptl_crystal_density_diffrn     1.344 
_exptl_crystal_density_method     ? 
_exptl_crystal_F_000              1396 
_exptl_absorpt_coefficient_mu     2.628 
_exptl_absorpt_correction_type    none 
_exptl_absorpt_correction_T_min   ? 
_exptl_absorpt_correction_T_max   ? 

_exptl_special_details 
; 
? 
; 

_diffrn_ambient_temperature       293(2) 
_diffrn_radiation_wavelength      1.54178 
_diffrn_radiation_type            CuK\a 
_diffrn_radiation_source          'fine-focus sealed tube' 
_diffrn_radiation_monochromator   graphite 
_diffrn_measurement_device        'Siemens P4' 
_diffrn_measurement_method        '\w scans' 
_diffrn_standards_number          3 
_diffrn_standards_interval_count  97 
_diffrn_standards_interval_time   ? 
_diffrn_standards_decay_%         ? 
_diffrn_reflns_number             5242 
_diffrn_reflns_av_R_equivalents   0.0196 
_diffrn_reflns_av_sigmaI/netI     0.0418 
_diffrn_reflns_limit_h_min        0 
_diffrn_reflns_limit_h_max        12 
_diffrn_reflns_limit_k_min        -16 
_diffrn_reflns_limit_k_max        0 
_diffrn_reflns_limit_l_min        -22 
_diffrn_reflns_limit_l_max        22 
_diffrn_reflns_theta_min          3.75 
_diffrn_reflns_theta_max          60.00 
_reflns_number_total              4961 
_reflns_number_observed           3907 
_reflns_observed_criterion        >2sigma(I) 

_computing_data_collection        'Siemens XSCANS' 
_computing_cell_refinement        'Siemens XSCANS' 
_computing_data_reduction         'Siemens SHELXTL' 
_computing_structure_solution     'SHELXS-86 (Sheldrick, 1990)' 
_computing_structure_refinement   'SHELXL-93 (Sheldrick, 1993)' 
_computing_molecular_graphics     'Siemens SHELXTL' 
_computing_publication_material   'Siemens SHELXTL' 

_refine_special_details 
; 
Refinement on F^2^ for ALL reflections except for 284 with very negative F^2^ 
or flagged by the user for potential systematic errors.  Weighted R-factors 
wR and all goodnesses 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 observed criterion 
of F^2^ > 2sigma(F^2^) is used only for calculating _R_factor_obs 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 w=1/[\s^2^(Fo^2^)+(0.0535P)^2^+1.1510P] 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     ? 
_refine_ls_extinction_method      SHELXL 
_refine_ls_extinction_coef        0.00045(6) 
_refine_ls_extinction_expression 
'Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^' 
_refine_ls_number_reflns          4677 
_refine_ls_number_parameters      359 
_refine_ls_number_restraints      0 
_refine_ls_R_factor_all           0.0596 
_refine_ls_R_factor_obs           0.0421 
_refine_ls_wR_factor_all          0.1134 
_refine_ls_wR_factor_obs          0.0975 
_refine_ls_goodness_of_fit_all    1.023 
_refine_ls_goodness_of_fit_obs    1.072 
_refine_ls_restrained_S_all       1.096 
_refine_ls_restrained_S_obs       1.072 
_refine_ls_shift/esd_max          0.000 
_refine_ls_shift/esd_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_thermal_displace_type 
_atom_site_occupancy 
_atom_site_calc_flag 
_atom_site_refinement_flags 
_atom_site_disorder_group 
Cu Cu 0.26416(4) 0.49276(3) 0.19391(2) 0.02998(14) Uani 1 d . . 
Cl1 Cl 0.29839(8) 0.35079(5) 0.22577(5) 0.0460(2) Uani 1 d . . 
Cl2 Cl 0.07374(6) 0.49530(5) 0.17016(4) 0.0427(2) Uani 1 d . . 
N1 N 0.4236(2) 0.5202(2) 0.15565(12) 0.0273(5) Uani 1 d . . 
C1 C 0.4516(2) 0.6056(2) 0.15585(14) 0.0273(6) Uani 1 d . . 
N2 N 0.2780(2) 0.6289(2) 0.21359(12) 0.0259(5) Uani 1 d . . 
C2 C 0.3717(2) 0.6673(2) 0.19324(14) 0.0271(6) Uani 1 d . . 
C3 C 0.5524(3) 0.6476(2) 0.1213(2) 0.0393(7) Uani 1 d . . 
H3A H 0.6109(3) 0.6680(2) 0.1535(2) 0.059 Uiso 1 d R . 
H3B H 0.5247(3) 0.6991(2) 0.0953(2) 0.059 Uiso 1 d R . 
H3C H 0.5861(3) 0.6027(2) 0.0928(2) 0.059 Uiso 1 d R . 
C4 C 0.4102(3) 0.7640(2) 0.2072(2) 0.0425(8) Uani 1 d . . 
H4A H 0.4064(3) 0.7989(2) 0.1668(2) 0.064 Uiso 1 d R . 
H4B H 0.4897(3) 0.7638(2) 0.2251(2) 0.064 Uiso 1 d R . 
H4C H 0.3594(3) 0.7913(2) 0.2386(2) 0.064 Uiso 1 d R . 
C5 C 0.4974(3) 0.4494(2) 0.13081(14) 0.0284(6) Uani 1 d . . 
C6 C 0.6107(3) 0.4354(2) 0.16015(15) 0.0299(6) Uani 1 d . . 
C7 C 0.6760(3) 0.3602(2) 0.1387(2) 0.0386(7) Uani 1 d . . 
H7A H 0.7518(3) 0.3508(2) 0.1565(2) 0.046 Uiso 1 calc R . 
C8 C 0.6305(3) 0.3002(2) 0.0921(2) 0.0421(8) Uani 1 d . . 
H8A H 0.6747(3) 0.2501(2) 0.0790(2) 0.051 Uiso 1 calc R . 
C9 C 0.5190(3) 0.3143(2) 0.0647(2) 0.0398(7) Uani 1 d . . 
H9A H 0.4888(3) 0.2726(2) 0.0335(2) 0.048 Uiso 1 calc R . 
C10 C 0.4504(3) 0.3891(2) 0.08240(15) 0.0324(6) Uani 1 d . . 
C11 C 0.60098(14) 0.51850(15) 0.26914(10) 0.0374(7) Uani 1 d G . 
H11A H 0.52667(14) 0.49373(15) 0.27490(10) 0.045 Uiso 1 calc R . 
C12 C 0.6500(2) 0.5786(2) 0.31612(9) 0.0470(8) Uani 1 d G . 
H12A H 0.6085(2) 0.5940(2) 0.35332(11) 0.056 Uiso 1 calc R . 
C13 C 0.7611(2) 0.6156(2) 0.30752(10) 0.0502(9) Uani 1 d G . 
H13A H 0.7939(3) 0.6558(2) 0.33895(14) 0.060 Uiso 1 calc R . 
C14 C 0.82311(15) 0.5925(2) 0.25192(12) 0.0478(8) Uani 1 d G . 
H14A H 0.8974(2) 0.6173(2) 0.2462(2) 0.057 Uiso 1 calc R . 
C15 C 0.7741(2) 0.5325(2) 0.20494(9) 0.0410(7) Uani 1 d G . 
H15A H 0.8156(2) 0.5171(2) 0.16774(11) 0.049 Uiso 1 calc R . 
C16 C 0.6630(2) 0.49545(13) 0.21354(9) 0.0335(6) Uani 1 d G . 
C17 C 0.2992(2) 0.48509(12) 0.01987(11) 0.0411(7) Uani 1 d G . 
H17A H 0.3493(2) 0.53559(12) 0.02357(11) 0.049 Uiso 1 calc R . 
C18 C 0.1920(2) 0.49268(14) -0.01516(12) 0.0521(9) Uani 1 d G . 
H18A H 0.1703(3) 0.5483(2) -0.0349(2) 0.062 Uiso 1 calc R . 
C19 C 0.1172(2) 0.4172(2) -0.02069(13) 0.0608(11) Uani 1 d G . 
H19A H 0.0455(2) 0.4223(3) -0.0441(2) 0.073 Uiso 1 calc R . 
C20 C 0.1497(2) 0.3341(2) 0.00880(14) 0.0640(11) Uani 1 d G . 
H20A H 0.0997(3) 0.2836(2) 0.0051(2) 0.077 Uiso 1 calc R . 
C21 C 0.2569(2) 0.32654(12) 0.04383(12) 0.0498(9) Uani 1 d G . 
H21A H 0.2786(3) 0.27096(14) 0.0636(2) 0.060 Uiso 1 calc R . 
C22 C 0.3317(2) 0.40202(14) 0.04936(10) 0.0347(7) Uani 1 d G . 
C23 C 0.1895(2) 0.6779(2) 0.24793(14) 0.0256(6) Uani 1 d . . 
C24 C 0.1292(3) 0.7528(2) 0.21835(15) 0.0293(6) Uani 1 d . . 
C25 C 0.0439(3) 0.7971(2) 0.2548(2) 0.0364(7) Uani 1 d . . 
H25A H 0.0044(3) 0.8477(2) 0.2365(2) 0.044 Uiso 1 calc R . 
C26 C 0.0170(3) 0.7672(2) 0.3174(2) 0.0368(7) Uani 1 d . . 
H26A H -0.0386(3) 0.7985(2) 0.3413(2) 0.044 Uiso 1 calc R . 
C27 C 0.0724(3) 0.6913(2) 0.3441(2) 0.0336(7) Uani 1 d . . 
H27A H 0.0517(3) 0.6705(2) 0.3857(2) 0.040 Uiso 1 calc R . 
C28 C 0.1590(3) 0.6444(2) 0.31053(15) 0.0294(6) Uani 1 d . . 
C29 C 0.1461(2) 0.72631(10) 0.09625(10) 0.0387(7) Uani 1 d G . 
H29A H 0.1333(2) 0.66386(10) 0.10287(10) 0.046 Uiso 1 calc R . 
C30 C 0.1625(2) 0.75961(14) 0.03274(8) 0.0529(9) Uani 1 d G . 
H30A H 0.1605(4) 0.7194(2) -0.00313(10) 0.064 Uiso 1 calc R . 
C31 C 0.1817(3) 0.8529(2) 0.02285(8) 0.0565(10) Uani 1 d G . 
H31A H 0.1926(4) 0.8752(2) -0.01964(9) 0.068 Uiso 1 calc R . 
C32 C 0.1845(3) 0.91298(11) 0.07646(10) 0.0537(10) Uani 1 d G . 
H32A H 0.1974(4) 0.97543(12) 0.06984(15) 0.064 Uiso 1 calc R . 
C33 C 0.1682(2) 0.87968(12) 0.13997(9) 0.0428(8) Uani 1 d G . 
H33A H 0.1702(3) 0.9198(2) 0.17584(11) 0.051 Uiso 1 calc R . 
C34 C 0.1490(2) 0.78635(13) 0.14987(7) 0.0322(6) Uani 1 d G . 
C35 C 0.1368(2) 0.4913(2) 0.36137(13) 0.0514(9) Uani 1 d G . 
H35A H 0.0566(2) 0.4955(2) 0.35082(13) 0.062 Uiso 1 calc R . 
C36 C 0.1810(3) 0.4155(2) 0.3961(2) 0.0721(13) Uani 1 d G . 
H36A H 0.1304(3) 0.3690(2) 0.4089(2) 0.086 Uiso 1 calc R . 
C37 C 0.3008(3) 0.4092(2) 0.41191(15) 0.078(2) Uani 1 d G . 
H37A H 0.3304(4) 0.3584(2) 0.4352(2) 0.093 Uiso 1 calc R . 
C38 C 0.3764(2) 0.4786(2) 0.39291(14) 0.0662(12) Uani 1 d G . 
H38A H 0.4566(2) 0.4744(3) 0.4035(2) 0.079 Uiso 1 calc R . 
C39 C 0.3322(2) 0.5544(2) 0.35814(12) 0.0448(8) Uani 1 d G . 
H39A H 0.3828(2) 0.6009(2) 0.3454(2) 0.054 Uiso 1 calc R . 
C40 C 0.2124(2) 0.56075(13) 0.34237(11) 0.0341(7) Uani 1 d G . 

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 
Cu 0.0283(2) 0.0223(2) 0.0395(3) -0.0010(2) 0.0038(2) 0.0006(2) 
Cl1 0.0510(5) 0.0274(4) 0.0598(5) 0.0078(3) 0.0051(4) 0.0048(3) 
Cl2 0.0290(4) 0.0357(4) 0.0633(5) 0.0009(4) -0.0004(3) -0.0027(3) 
N1 0.0268(11) 0.0262(12) 0.0290(12) -0.0015(10) 0.0005(9) 0.0038(10) 
C1 0.0266(14) 0.031(2) 0.0240(14) 0.0001(12) 0.0000(11) 0.0016(12) 
N2 0.0268(12) 0.0246(12) 0.0264(12) -0.0016(9) 0.0008(10) 0.0010(10) 
C2 0.0286(14) 0.0258(14) 0.0266(14) -0.0020(11) -0.0031(12) 0.0011(12) 
C3 0.043(2) 0.032(2) 0.044(2) 0.0042(13) 0.0141(15) -0.0015(14) 
C4 0.040(2) 0.031(2) 0.057(2) -0.0118(15) 0.008(2) -0.0090(14) 
C5 0.0305(15) 0.0275(14) 0.0275(14) 0.0011(11) 0.0060(12) 0.0030(12) 
C6 0.0298(15) 0.0302(15) 0.0301(15) -0.0003(12) 0.0048(12) 0.0029(12) 
C7 0.037(2) 0.039(2) 0.040(2) 0.0053(14) 0.0065(14) 0.0117(14) 
C8 0.052(2) 0.033(2) 0.042(2) -0.0020(14) 0.012(2) 0.0125(15) 
C9 0.054(2) 0.032(2) 0.034(2) -0.0062(13) 0.0068(15) 0.0065(15) 
C10 0.037(2) 0.0283(15) 0.033(2) -0.0028(12) 0.0082(13) 0.0007(13) 
C11 0.033(2) 0.039(2) 0.040(2) -0.0012(14) 0.0021(13) 0.0039(13) 
C12 0.048(2) 0.049(2) 0.044(2) -0.012(2) 0.002(2) 0.008(2) 
C13 0.049(2) 0.043(2) 0.058(2) -0.014(2) -0.009(2) -0.003(2) 
C14 0.037(2) 0.046(2) 0.059(2) 0.001(2) -0.001(2) -0.007(2) 
C15 0.035(2) 0.046(2) 0.042(2) 0.0046(15) 0.0043(14) -0.0010(14) 
C16 0.0312(15) 0.033(2) 0.036(2) 0.0027(13) -0.0019(12) 0.0058(13) 
C17 0.047(2) 0.039(2) 0.037(2) -0.0050(14) 0.0007(14) 0.0044(15) 
C18 0.056(2) 0.060(2) 0.040(2) 0.001(2) -0.006(2) 0.013(2) 
C19 0.048(2) 0.078(3) 0.055(2) -0.010(2) -0.014(2) 0.003(2) 
C20 0.055(2) 0.067(3) 0.068(3) -0.010(2) -0.012(2) -0.019(2) 
C21 0.054(2) 0.042(2) 0.053(2) -0.003(2) 0.000(2) -0.008(2) 
C22 0.041(2) 0.036(2) 0.0267(15) -0.0065(12) 0.0034(13) 0.0001(14) 
C23 0.0288(14) 0.0217(13) 0.0263(14) -0.0048(11) 0.0020(11) -0.0015(11) 
C24 0.0320(15) 0.0262(14) 0.0296(15) -0.0030(12) 0.0016(12) 0.0014(12) 
C25 0.036(2) 0.032(2) 0.042(2) -0.0015(13) 0.0036(14) 0.0090(13) 
C26 0.035(2) 0.037(2) 0.038(2) -0.0075(14) 0.0099(13) 0.0053(14) 
C27 0.036(2) 0.036(2) 0.0294(15) -0.0043(13) 0.0051(13) -0.0029(13) 
C28 0.0312(14) 0.0270(14) 0.0301(15) -0.0032(12) 0.0024(12) -0.0020(12) 
C29 0.049(2) 0.033(2) 0.034(2) -0.0030(13) -0.0007(14) -0.0012(14) 
C30 0.071(3) 0.054(2) 0.033(2) -0.007(2) 0.001(2) -0.002(2) 
C31 0.079(3) 0.058(2) 0.033(2) 0.009(2) 0.008(2) -0.003(2) 
C32 0.081(3) 0.037(2) 0.043(2) 0.009(2) 0.000(2) -0.005(2) 
C33 0.061(2) 0.032(2) 0.036(2) 0.0016(14) 0.002(2) 0.002(2) 
C34 0.034(2) 0.031(2) 0.031(2) 0.0004(12) -0.0009(12) 0.0056(12) 
C35 0.061(2) 0.041(2) 0.052(2) 0.008(2) 0.006(2) -0.003(2) 
C36 0.096(4) 0.047(2) 0.074(3) 0.024(2) 0.017(3) -0.001(2) 
C37 0.111(4) 0.060(3) 0.063(3) 0.031(2) 0.017(3) 0.031(3) 
C38 0.066(3) 0.076(3) 0.056(2) 0.020(2) 0.003(2) 0.032(2) 
C39 0.046(2) 0.048(2) 0.041(2) 0.008(2) 0.005(2) 0.010(2) 
C40 0.044(2) 0.030(2) 0.0282(15) 0.0009(12) 0.0048(13) 0.0029(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 
Cu N2 2.024(2) . ? 
Cu N1 2.038(2) . ? 
Cu Cl1 2.1922(9) . ? 
Cu Cl2 2.1997(9) . ? 
N1 C1 1.282(4) . ? 
N1 C5 1.431(4) . ? 
C1 C3 1.495(4) . ? 
C1 C2 1.501(4) . ? 
N2 C2 1.284(4) . ? 
N2 C23 1.434(4) . ? 
C2 C4 1.497(4) . ? 
C5 C10 1.404(4) . ? 
C5 C6 1.412(4) . ? 
C6 C7 1.399(4) . ? 
C6 C16 1.493(3) . ? 
C7 C8 1.370(5) . ? 
C8 C9 1.379(5) . ? 
C9 C10 1.394(4) . ? 
C10 C22 1.494(4) . ? 
C11 C12 1.39 . ? 
C11 C16 1.39 . ? 
C12 C13 1.39 . ? 
C13 C14 1.39 . ? 
C14 C15 1.39 . ? 
C15 C16 1.39 . ? 
C17 C18 1.39 . ? 
C17 C22 1.39 . ? 
C18 C19 1.39 . ? 
C19 C20 1.39 . ? 
C20 C21 1.39 . ? 
C21 C22 1.39 . ? 
C23 C24 1.408(4) . ? 
C23 C28 1.411(4) . ? 
C24 C25 1.397(4) . ? 
C24 C34 1.492(3) . ? 
C25 C26 1.382(5) . ? 
C26 C27 1.372(5) . ? 
C27 C28 1.395(4) . ? 
C28 C40 1.493(3) . ? 
C29 C30 1.39 . ? 
C29 C34 1.39 . ? 
C30 C31 1.39 . ? 
C31 C32 1.39 . ? 
C32 C33 1.39 . ? 
C33 C34 1.39 . ? 
C35 C36 1.39 . ? 
C35 C40 1.39 . ? 
C36 C37 1.39 . ? 
C37 C38 1.39 . ? 
C38 C39 1.39 . ? 
C39 C40 1.39 . ? 

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 
N2 Cu N1 79.60(9) . . ? 
N2 Cu Cl1 148.38(7) . . ? 
N1 Cu Cl1 98.34(7) . . ? 
N2 Cu Cl2 95.45(7) . . ? 
N1 Cu Cl2 142.84(7) . . ? 
Cl1 Cu Cl2 103.99(4) . . ? 
C1 N1 C5 123.3(3) . . ? 
C1 N1 Cu 114.4(2) . . ? 
C5 N1 Cu 122.4(2) . . ? 
N1 C1 C3 126.1(3) . . ? 
N1 C1 C2 115.1(3) . . ? 
C3 C1 C2 118.8(3) . . ? 
C2 N2 C23 123.1(2) . . ? 
C2 N2 Cu 114.9(2) . . ? 
C23 N2 Cu 122.0(2) . . ? 
N2 C2 C4 126.0(3) . . ? 
N2 C2 C1 115.3(3) . . ? 
C4 C2 C1 118.5(3) . . ? 
C10 C5 C6 121.3(3) . . ? 
C10 C5 N1 118.7(3) . . ? 
C6 C5 N1 119.7(3) . . ? 
C7 C6 C5 118.0(3) . . ? 
C7 C6 C16 118.6(3) . . ? 
C5 C6 C16 123.4(3) . . ? 
C8 C7 C6 121.2(3) . . ? 
C7 C8 C9 119.9(3) . . ? 
C8 C9 C10 121.8(3) . . ? 
C9 C10 C5 117.7(3) . . ? 
C9 C10 C22 119.2(3) . . ? 
C5 C10 C22 123.1(3) . . ? 
C12 C11 C16 120.0 . . ? 
C13 C12 C11 120.0 . . ? 
C14 C13 C12 120.0 . . ? 
C15 C14 C13 120.0 . . ? 
C14 C15 C16 120.0 . . ? 
C15 C16 C11 120.0 . . ? 
C15 C16 C6 118.3(2) . . ? 
C11 C16 C6 121.6(2) . . ? 
C18 C17 C22 120.0 . . ? 
C19 C18 C17 120.0 . . ? 
C18 C19 C20 120.0 . . ? 
C21 C20 C19 120.0 . . ? 
C20 C21 C22 120.0 . . ? 
C21 C22 C17 120.0 . . ? 
C21 C22 C10 118.4(2) . . ? 
C17 C22 C10 121.4(2) . . ? 
C24 C23 C28 121.0(3) . . ? 
C24 C23 N2 121.2(2) . . ? 
C28 C23 N2 117.6(2) . . ? 
C25 C24 C23 118.1(3) . . ? 
C25 C24 C34 118.1(3) . . ? 
C23 C24 C34 123.9(2) . . ? 
C26 C25 C24 121.3(3) . . ? 
C27 C26 C25 119.9(3) . . ? 
C26 C27 C28 121.6(3) . . ? 
C27 C28 C23 118.0(3) . . ? 
C27 C28 C40 118.1(3) . . ? 
C23 C28 C40 123.8(3) . . ? 
C30 C29 C34 120.0 . . ? 
C31 C30 C29 120.0 . . ? 
C30 C31 C32 120.0 . . ? 
C33 C32 C31 120.0 . . ? 
C34 C33 C32 120.0 . . ? 
C33 C34 C29 120.0 . . ? 
C33 C34 C24 118.8(2) . . ? 
C29 C34 C24 121.2(2) . . ? 
C36 C35 C40 120.0 . . ? 
C37 C36 C35 120.0 . . ? 
C38 C37 C36 120.0 . . ? 
C37 C38 C39 120.0 . . ? 
C40 C39 C38 120.0 . . ? 
C39 C40 C35 120.0 . . ? 
C39 C40 C28 122.1(2) . . ? 
C35 C40 C28 117.7(2) . . ? 

_refine_diff_density_max    0.344 
_refine_diff_density_min   -0.431 
_refine_diff_density_rms    0.055