
data_global

data_a
#TrackingRef 'check a.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C18 H18 Cu2 N4'
_chemical_formula_weight         417.44

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'
O O 0.0492 0.0322 '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   C2/c

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

_cell_length_a                   19.7786(3)
_cell_length_b                   19.9182(3)
_cell_length_c                   16.8816(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 91.718(2)
_cell_angle_gamma                90.00
_cell_volume                     6647.59(18)
_cell_formula_units_Z            16
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    7911
_cell_measurement_theta_min      3.1469
_cell_measurement_theta_max      74.4536

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.668
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3392
_exptl_absorpt_coefficient_mu    3.192
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4908
_exptl_absorpt_correction_T_max  0.6129
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'

_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_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean none
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            13237
_diffrn_reflns_av_R_equivalents  0.0189
_diffrn_reflns_av_sigmaI/netI    0.0207
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_theta_min         3.15
_diffrn_reflns_theta_max         74.62
_reflns_number_total             6597
_reflns_number_gt                6185
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Bruker FRAMBO'
_computing_cell_refinement       'Bruker FRAMBO'
_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 F² against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F², conventional R-factors R are based
on F, with F set to zero for negative F². The threshold expression of
F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F² 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/[σ²(Fo²)+(0.0589P)²+44.8436P] where P=(Fo²+2Fc²)/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         6597
_refine_ls_number_parameters     434
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0441
_refine_ls_R_factor_gt           0.0420
_refine_ls_wR_factor_ref         0.1255
_refine_ls_wR_factor_gt          0.1241
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_restrained_S_all      1.065
_refine_ls_shift/su_max          0.001
_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
Cu1 Cu 0.12827(2) 0.36727(2) 0.75056(3) 0.01619(13) Uani 1 1 d . . .
Cu2 Cu 0.5000 0.23545(3) 0.7500 0.01623(16) Uani 1 2 d S . .
Cu3 Cu 0.0000 0.00157(3) 0.7500 0.01628(16) Uani 1 2 d S . .
Cu4 Cu 0.24803(2) 0.11743(2) 0.66037(3) 0.01601(13) Uani 1 1 d . . .
Cu5 Cu 0.25306(2) 0.11775(2) 0.82735(3) 0.01590(13) Uani 1 1 d . . .
C1 C 0.18781(16) 0.49111(16) 0.71218(19) 0.0165(6) Uani 1 1 d . . .
H1A H 0.2278 0.4773 0.7376 0.020 Uiso 1 1 calc R . .
C2 C 0.11561(16) 0.55093(16) 0.64474(18) 0.0146(6) Uani 1 1 d . . .
C3 C 0.08003(16) 0.59951(16) 0.60080(19) 0.0168(6) Uani 1 1 d . . .
H3A H 0.1008 0.6394 0.5864 0.020 Uiso 1 1 calc R . .
C4 C 0.01288(17) 0.58705(16) 0.57896(18) 0.0167(6) Uani 1 1 d . . .
C5 C -0.02613(18) 0.63795(17) 0.5300(2) 0.0219(7) Uani 1 1 d . . .
H5A H 0.0023 0.6759 0.5201 0.033 Uiso 1 1 calc R . .
H5B H -0.0650 0.6523 0.5582 0.033 Uiso 1 1 calc R . .
H5C H -0.0405 0.6181 0.4806 0.033 Uiso 1 1 calc R . .
C6 C -0.01868(16) 0.52581(16) 0.60198(19) 0.0164(6) Uani 1 1 d . . .
C7 C -0.09169(17) 0.51260(18) 0.5781(2) 0.0220(7) Uani 1 1 d . . .
H7A H -0.1050 0.4696 0.5978 0.033 Uiso 1 1 calc R . .
H7B H -0.0966 0.5130 0.5213 0.033 Uiso 1 1 calc R . .
H7C H -0.1198 0.5469 0.5998 0.033 Uiso 1 1 calc R . .
C8 C 0.01667(16) 0.47823(16) 0.64628(19) 0.0167(6) Uani 1 1 d . . .
H8A H -0.0042 0.4388 0.6620 0.020 Uiso 1 1 calc R . .
C9 C 0.08458(16) 0.49082(16) 0.66695(18) 0.0149(6) Uani 1 1 d . . .
C10 C 0.19093(16) 0.24396(16) 0.78854(19) 0.0170(6) Uani 1 1 d . . .
H10A H 0.2293 0.2580 0.7626 0.020 Uiso 1 1 calc R . .
C11 C 0.08981(16) 0.24326(16) 0.83426(18) 0.0157(6) Uani 1 1 d . . .
C12 C 0.02303(16) 0.25463(17) 0.85534(19) 0.0174(6) Uani 1 1 d . . .
H12A H 0.0008 0.2939 0.8400 0.021 Uiso 1 1 calc R . .
C13 C -0.00952(16) 0.20664(17) 0.89943(19) 0.0171(6) Uani 1 1 d . . .
C14 C -0.08200(17) 0.21812(18) 0.9227(2) 0.0232(7) Uani 1 1 d . . .
H14A H -0.0974 0.2606 0.9024 0.035 Uiso 1 1 calc R . .
H14B H -0.0844 0.2181 0.9794 0.035 Uiso 1 1 calc R . .
H14C H -0.1101 0.1829 0.9011 0.035 Uiso 1 1 calc R . .
C15 C 0.02447(17) 0.14642(16) 0.92355(19) 0.0178(6) Uani 1 1 d . . .
C16 C -0.01052(19) 0.09545(18) 0.9739(2) 0.0238(7) Uani 1 1 d . . .
H16A H 0.0193 0.0583 0.9843 0.036 Uiso 1 1 calc R . .
H16B H -0.0507 0.0798 0.9463 0.036 Uiso 1 1 calc R . .
H16C H -0.0225 0.1158 1.0230 0.036 Uiso 1 1 calc R . .
C17 C 0.09098(17) 0.13539(16) 0.9022(2) 0.0178(6) Uani 1 1 d . . .
H17A H 0.1136 0.0964 0.9178 0.021 Uiso 1 1 calc R . .
C18 C 0.12308(16) 0.18370(16) 0.85706(18) 0.0149(6) Uani 1 1 d . . .
C19 C 0.12113(16) 0.06075(16) 0.70046(19) 0.0176(6) Uani 1 1 d . . .
H19A H 0.1085 0.1010 0.7238 0.021 Uiso 1 1 calc R . .
C20 C 0.11892(16) -0.04268(16) 0.66201(18) 0.0146(6) Uani 1 1 d . . .
C21 C 0.10562(16) -0.11018(17) 0.64626(19) 0.0171(6) Uani 1 1 d . . .
H21A H 0.0660 -0.1299 0.6631 0.021 Uiso 1 1 calc R . .
C22 C 0.15209(17) -0.14737(16) 0.60529(19) 0.0173(6) Uani 1 1 d . . .
C23 C 0.13802(18) -0.22056(17) 0.5874(2) 0.0222(7) Uani 1 1 d . . .
H23A H 0.0951 -0.2329 0.6082 0.033 Uiso 1 1 calc R . .
H23B H 0.1730 -0.2478 0.6115 0.033 Uiso 1 1 calc R . .
H23C H 0.1370 -0.2274 0.5310 0.033 Uiso 1 1 calc R . .
C24 C 0.21308(16) -0.11678(17) 0.57978(19) 0.0166(6) Uani 1 1 d . . .
C25 C 0.26375(18) -0.15740(18) 0.5350(2) 0.0217(7) Uani 1 1 d . . .
H25A H 0.3017 -0.1296 0.5228 0.032 Uiso 1 1 calc R . .
H25B H 0.2429 -0.1738 0.4867 0.032 Uiso 1 1 calc R . .
H25C H 0.2789 -0.1946 0.5670 0.032 Uiso 1 1 calc R . .
C26 C 0.22615(16) -0.04960(16) 0.59554(18) 0.0163(6) Uani 1 1 d . . .
H26A H 0.2657 -0.0295 0.5788 0.020 Uiso 1 1 calc R . .
C27 C 0.17858(16) -0.01261(16) 0.63709(18) 0.0149(6) Uani 1 1 d . . .
C28 C 0.37655(16) 0.17499(16) 0.70166(19) 0.0177(6) Uani 1 1 d . . .
H28A H 0.3911 0.1348 0.7245 0.021 Uiso 1 1 calc R . .
C29 C 0.37483(16) 0.27881(16) 0.66477(18) 0.0151(6) Uani 1 1 d . . .
C30 C 0.38613(16) 0.34705(16) 0.65071(19) 0.0168(6) Uani 1 1 d . . .
H30A H 0.4260 0.3675 0.6686 0.020 Uiso 1 1 calc R . .
C31 C 0.33690(17) 0.38364(16) 0.60975(19) 0.0172(6) Uani 1 1 d . . .
C32 C 0.34818(18) 0.45709(17) 0.5934(2) 0.0225(7) Uani 1 1 d . . .
H32A H 0.3915 0.4704 0.6151 0.034 Uiso 1 1 calc R . .
H32B H 0.3134 0.4830 0.6173 0.034 Uiso 1 1 calc R . .
H32C H 0.3468 0.4646 0.5372 0.034 Uiso 1 1 calc R . .
C33 C 0.27568(17) 0.35191(17) 0.58275(19) 0.0175(6) Uani 1 1 d . . .
C34 C 0.22247(18) 0.39200(18) 0.5379(2) 0.0225(7) Uani 1 1 d . . .
H34A H 0.1847 0.3635 0.5243 0.034 Uiso 1 1 calc R . .
H34B H 0.2412 0.4097 0.4904 0.034 Uiso 1 1 calc R . .
H34C H 0.2076 0.4283 0.5704 0.034 Uiso 1 1 calc R . .
C35 C 0.26462(16) 0.28426(17) 0.59724(19) 0.0173(6) Uani 1 1 d . . .
H35A H 0.2248 0.2635 0.5798 0.021 Uiso 1 1 calc R . .
C36 C 0.31478(16) 0.24821(16) 0.63870(18) 0.0147(6) Uani 1 1 d . . .
N1 N 0.18215(14) 0.55032(14) 0.67444(16) 0.0170(5) Uani 1 1 d . . .
N2 N 0.13191(14) 0.45344(14) 0.71057(16) 0.0165(5) Uani 1 1 d . . .
N3 N 0.13427(14) 0.28124(14) 0.79073(16) 0.0167(5) Uani 1 1 d . . .
N4 N 0.18780(13) 0.18496(14) 0.82661(16) 0.0160(5) Uani 1 1 d . . .
N5 N 0.17913(14) 0.05405(14) 0.66230(16) 0.0167(5) Uani 1 1 d . . .
N6 N 0.08264(14) 0.00562(14) 0.70270(16) 0.0169(5) Uani 1 1 d . . .
N7 N 0.31671(13) 0.18102(14) 0.66321(16) 0.0159(5) Uani 1 1 d . . .
N8 N 0.41417(14) 0.23122(14) 0.70479(16) 0.0169(5) Uani 1 1 d . . .


_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
Cu1 N3 1.845(3) . ?
Cu1 N2 1.847(3) . ?
Cu2 N8 1.842(3) . ?
Cu2 N8 1.842(3) 2_656 ?
Cu3 N6 1.842(3) . ?
Cu3 N6 1.842(3) 2_556 ?
Cu4 N7 1.857(3) . ?
Cu4 N5 1.859(3) . ?
Cu4 Cu5 2.8177(7) . ?
Cu5 N1 1.857(3) 4_546 ?
Cu5 N4 1.859(3) . ?
C1 N2 1.336(4) . ?
C1 N1 1.343(4) . ?
C1 H1A 0.9300 . ?
C2 C3 1.397(4) . ?
C2 C9 1.402(4) . ?
C2 N1 1.394(4) . ?
C3 C4 1.390(5) . ?
C3 H3A 0.9300 . ?
C4 C6 1.429(4) . ?
C4 C5 1.506(4) . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C8 1.384(5) . ?
C6 C7 1.511(4) . ?
C7 H7A 0.9600 . ?
C7 H7B 0.9600 . ?
C7 H7C 0.9600 . ?
C8 C9 1.400(4) . ?
C8 H8A 0.9300 . ?
C9 N2 1.390(4) . ?
C10 N4 1.342(4) . ?
C10 N3 1.346(4) . ?
C10 H10A 0.9300 . ?
C11 N3 1.387(4) . ?
C11 C18 1.405(4) . ?
C11 C12 1.397(4) . ?
C12 C13 1.382(5) . ?
C12 H12A 0.9300 . ?
C13 C15 1.428(5) . ?
C13 C14 1.515(4) . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 C17 1.392(5) . ?
C15 C16 1.505(5) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 C18 1.392(5) . ?
C17 H17A 0.9300 . ?
C18 N4 1.394(4) . ?
C19 N5 1.339(4) . ?
C19 N6 1.337(4) . ?
C19 H19A 0.9300 . ?
C20 C21 1.394(5) . ?
C20 N6 1.393(4) . ?
C20 C27 1.399(4) . ?
C21 C22 1.382(5) . ?
C21 H21A 0.9300 . ?
C22 C24 1.429(5) . ?
C22 C23 1.513(4) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C24 C26 1.387(5) . ?
C24 C25 1.508(5) . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 C27 1.400(4) . ?
C26 H26A 0.9300 . ?
C27 N5 1.394(4) . ?
C28 N7 1.338(4) . ?
C28 N8 1.345(4) . ?
C28 H28A 0.9300 . ?
C29 C36 1.394(4) . ?
C29 N8 1.389(4) . ?
C29 C30 1.399(5) . ?
C30 C31 1.385(5) . ?
C30 H30A 0.9300 . ?
C31 C33 1.429(5) . ?
C31 C32 1.507(4) . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 C35 1.388(5) . ?
C33 C34 1.507(5) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 C36 1.396(5) . ?
C35 H35A 0.9300 . ?
C36 N7 1.401(4) . ?
N1 Cu5 1.857(3) 4_556 ?

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
N3 Cu1 N2 174.09(12) . . ?
N8 Cu2 N8 174.76(18) . 2_656 ?
N6 Cu3 N6 174.98(17) . 2_556 ?
N7 Cu4 N5 177.50(12) . . ?
N7 Cu4 Cu5 88.21(9) . . ?
N5 Cu4 Cu5 89.31(9) . . ?
N1 Cu5 N4 178.66(12) 4_546 . ?
N1 Cu5 Cu4 89.18(9) 4_546 . ?
N4 Cu5 Cu4 89.50(8) . . ?
N2 C1 N1 115.2(3) . . ?
N2 C1 H1A 122.4 . . ?
N1 C1 H1A 122.4 . . ?
C3 C2 C9 121.1(3) . . ?
C3 C2 N1 130.7(3) . . ?
C9 C2 N1 108.2(3) . . ?
C2 C3 C4 118.6(3) . . ?
C2 C3 H3A 120.7 . . ?
C4 C3 H3A 120.7 . . ?
C3 C4 C6 120.1(3) . . ?
C3 C4 C5 119.7(3) . . ?
C6 C4 C5 120.2(3) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C8 C6 C4 120.9(3) . . ?
C8 C6 C7 119.2(3) . . ?
C4 C6 C7 119.8(3) . . ?
C6 C7 H7A 109.5 . . ?
C6 C7 H7B 109.5 . . ?
H7A C7 H7B 109.5 . . ?
C6 C7 H7C 109.5 . . ?
H7A C7 H7C 109.5 . . ?
H7B C7 H7C 109.5 . . ?
C6 C8 C9 118.5(3) . . ?
C6 C8 H8A 120.7 . . ?
C9 C8 H8A 120.7 . . ?
C8 C9 N2 131.4(3) . . ?
C8 C9 C2 120.7(3) . . ?
N2 C9 C2 107.8(3) . . ?
N4 C10 N3 114.8(3) . . ?
N4 C10 H10A 122.6 . . ?
N3 C10 H10A 122.6 . . ?
N3 C11 C18 107.8(3) . . ?
N3 C11 C12 131.8(3) . . ?
C18 C11 C12 120.4(3) . . ?
C13 C12 C11 119.0(3) . . ?
C13 C12 H12A 120.5 . . ?
C11 C12 H12A 120.5 . . ?
C12 C13 C15 120.8(3) . . ?
C12 C13 C14 119.7(3) . . ?
C15 C13 C14 119.6(3) . . ?
C13 C14 H14A 109.5 . . ?
C13 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C13 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C17 C15 C13 119.9(3) . . ?
C17 C15 C16 119.6(3) . . ?
C13 C15 C16 120.4(3) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C18 C17 C15 118.9(3) . . ?
C18 C17 H17A 120.6 . . ?
C15 C17 H17A 120.6 . . ?
C17 C18 N4 130.8(3) . . ?
C17 C18 C11 121.1(3) . . ?
N4 C18 C11 108.2(3) . . ?
N5 C19 N6 115.4(3) . . ?
N5 C19 H19A 122.3 . . ?
N6 C19 H19A 122.3 . . ?
C21 C20 N6 131.5(3) . . ?
C21 C20 C27 120.8(3) . . ?
N6 C20 C27 107.7(3) . . ?
C22 C21 C20 119.2(3) . . ?
C22 C21 H21A 120.4 . . ?
C20 C21 H21A 120.4 . . ?
C21 C22 C24 120.1(3) . . ?
C21 C22 C23 119.7(3) . . ?
C24 C22 C23 120.2(3) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C26 C24 C22 120.5(3) . . ?
C26 C24 C25 119.4(3) . . ?
C22 C24 C25 120.1(3) . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C27 C26 C24 118.7(3) . . ?
C27 C26 H26A 120.7 . . ?
C24 C26 H26A 120.7 . . ?
C26 C27 N5 130.9(3) . . ?
C26 C27 C20 120.7(3) . . ?
N5 C27 C20 108.4(3) . . ?
N7 C28 N8 115.1(3) . . ?
N7 C28 H28A 122.4 . . ?
N8 C28 H28A 122.4 . . ?
C36 C29 N8 108.3(3) . . ?
C36 C29 C30 120.7(3) . . ?
N8 C29 C30 131.0(3) . . ?
C31 C30 C29 118.9(3) . . ?
C31 C30 H30A 120.6 . . ?
C29 C30 H30A 120.6 . . ?
C30 C31 C33 120.2(3) . . ?
C30 C31 C32 119.8(3) . . ?
C33 C31 C32 120.0(3) . . ?
C31 C32 H32A 109.5 . . ?
C31 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C35 C33 C31 120.7(3) . . ?
C35 C33 C34 119.5(3) . . ?
C31 C33 C34 119.9(3) . . ?
C33 C34 H34A 109.5 . . ?
C33 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C33 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C36 C35 C33 118.3(3) . . ?
C36 C35 H35A 120.8 . . ?
C33 C35 H35A 120.8 . . ?
C29 C36 C35 121.3(3) . . ?
C29 C36 N7 108.0(3) . . ?
C35 C36 N7 130.7(3) . . ?
C1 N1 C2 104.0(3) . . ?
C1 N1 Cu5 126.5(2) . 4_556 ?
C2 N1 Cu5 129.2(2) . 4_556 ?
C1 N2 C9 104.7(3) . . ?
C1 N2 Cu1 123.8(2) . . ?
C9 N2 Cu1 131.2(2) . . ?
C10 N3 C11 104.8(3) . . ?
C10 N3 Cu1 123.1(2) . . ?
C11 N3 Cu1 131.8(2) . . ?
C10 N4 C18 104.4(3) . . ?
C10 N4 Cu5 126.3(2) . . ?
C18 N4 Cu5 129.0(2) . . ?
C19 N5 C27 104.0(3) . . ?
C19 N5 Cu4 125.4(2) . . ?
C27 N5 Cu4 129.8(2) . . ?
C19 N6 C20 104.5(3) . . ?
C19 N6 Cu3 124.1(2) . . ?
C20 N6 Cu3 131.3(2) . . ?
C28 N7 C36 104.2(3) . . ?
C28 N7 Cu4 125.9(2) . . ?
C36 N7 Cu4 129.1(2) . . ?
C28 N8 C29 104.4(3) . . ?
C28 N8 Cu2 123.8(2) . . ?
C29 N8 Cu2 131.8(2) . . ?

_diffrn_measured_fraction_theta_max 0.967
_diffrn_reflns_theta_full        74.62
_diffrn_measured_fraction_theta_full 0.967
_refine_diff_density_max         0.725
_refine_diff_density_min         -0.747
_refine_diff_density_rms         0.105


