# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_tmx201603282_0m
_database_code_depnum_ccdc_archive 'CCDC 1816505'
_audit_update_record             
;
2018-01-12 deposited with the CCDC.
2018-08-13 downloaded from the CCDC.
;
_audit_creation_date             2017-11-11
_audit_creation_method           
;
  Olex2 1.2-ac2
  (compiled 2012.03.06 svn.r2239, GUI svn.r4109)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C30 H16 Cl2 Cu N4 O4'
_chemical_formula_sum            'C30 H16 Cl2 Cu N4 O4'
_chemical_formula_weight         630.91
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, -y, -z'

_cell_length_a                   7.8422(3)
_cell_length_b                   8.7783(3)
_cell_length_c                   9.4903(3)
_cell_angle_alpha                90.286(2)
_cell_angle_beta                 104.150(2)
_cell_angle_gamma                97.796(2)
_cell_volume                     627.15(4)
_cell_formula_units_Z            1
_cell_measurement_reflns_used    4386
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      2.71
_exptl_absorpt_coefficient_mu    1.132
_exptl_absorpt_correction_T_max  0.8761
_exptl_absorpt_correction_T_min  0.6540
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             319
_exptl_crystal_size_max          0.41
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0234
_diffrn_reflns_av_unetI/netI     0.0223
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9770
_diffrn_reflns_theta_full        26.36
_diffrn_reflns_theta_max         26.36
_diffrn_reflns_theta_min         2.21
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2194
_reflns_number_total             2554
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.637
_refine_diff_density_min         -0.319
_refine_diff_density_rms         0.064
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         2554
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0300
_refine_ls_restrained_S_all      1.067
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0431P)²+0.3119P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0780
_refine_ls_wR_factor_ref         0.0824
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
C1 C 0.4710(3) 0.6877(3) 0.3044(2) 0.0334(5) Uani 1 1 d . . .
H1 H 0.5412 0.7209 0.2414 0.040 Uiso 1 1 calc R . .
C2 C 0.4614(3) 0.7845(3) 0.4170(3) 0.0378(5) Uani 1 1 d . . .
H2 H 0.5262 0.8826 0.4298 0.045 Uiso 1 1 calc R . .
C3 C 0.3558(3) 0.7364(3) 0.5110(3) 0.0397(6) Uani 1 1 d . . .
H3 H 0.3485 0.8031 0.5850 0.048 Uiso 1 1 calc R . .
C4 C 0.2622(3) 0.5908(3) 0.4951(2) 0.0359(5) Uani 1 1 d . . .
H4 H 0.1928 0.5588 0.5590 0.043 Uiso 1 1 calc R . .
C5 C 0.2712(3) 0.4906(3) 0.3832(2) 0.0287(5) Uani 1 1 d . . .
C6 C 0.3753(3) 0.5410(2) 0.2860(2) 0.0270(4) Uani 1 1 d . . .
C7 C 0.1794(3) 0.3325(3) 0.3744(2) 0.0305(5) Uani 1 1 d . . .
C8 C 0.3102(3) 0.3030(2) 0.1699(2) 0.0266(4) Uani 1 1 d . . .
C9 C 0.3218(3) 0.1740(2) 0.0684(2) 0.0274(4) Uani 1 1 d . . .
C10 C 0.2237(3) 0.0380(2) 0.1144(2) 0.0292(5) Uani 1 1 d . . .
C11 C 0.1547(3) 0.0823(2) 0.2285(2) 0.0280(4) Uani 1 1 d . . .
C12 C 0.0488(3) -0.0210(3) 0.2909(2) 0.0350(5) Uani 1 1 d . . .
H12 H 0.0030 0.0087 0.3668 0.042 Uiso 1 1 calc R . .
C13 C 0.0140(3) -0.1719(3) 0.2345(3) 0.0375(5) Uani 1 1 d . . .
H13 H -0.0567 -0.2446 0.2742 0.045 Uiso 1 1 calc R . .
C14 C 0.0812(3) -0.2174(3) 0.1214(3) 0.0359(5) Uani 1 1 d . . .
H14 H 0.0543 -0.3192 0.0864 0.043 Uiso 1 1 calc R . .
C15 C 0.1880(3) -0.1127(3) 0.0597(2) 0.0320(5) Uani 1 1 d . . .
H15 H 0.2341 -0.1427 -0.0158 0.038 Uiso 1 1 calc R . .
Cl1 Cl 0.23541(7) 0.54927(7) -0.13107(6) 0.03530(15) Uani 1 1 d . . .
Cu1 Cu 0.5000 0.5000 0.0000 0.02569(12) Uani 1 2 d S . .
N1 N 0.3877(2) 0.4420(2) 0.17298(19) 0.0263(4) Uani 1 1 d . . .
N2 N 0.2101(2) 0.2437(2) 0.26268(19) 0.0280(4) Uani 1 1 d . . .
O1 O 0.0895(2) 0.2779(2) 0.45408(19) 0.0436(4) Uani 1 1 d . . .
O2 O 0.4004(2) 0.19163(19) -0.02694(17) 0.0371(4) 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
C1 H1 0.9300 . ?
C1 C2 1.384(3) . ?
C1 C6 1.387(3) . ?
C2 H2 0.9300 . ?
C2 C3 1.389(3) . ?
C3 H3 0.9300 . ?
C3 C4 1.373(4) . ?
C4 H4 0.9300 . ?
C4 C5 1.397(3) . ?
C5 C6 1.409(3) . ?
C5 C7 1.467(3) . ?
C6 N1 1.408(3) . ?
C7 N2 1.399(3) . ?
C7 O1 1.213(3) . ?
C8 C9 1.509(3) . ?
C8 N1 1.284(3) . ?
C8 N2 1.377(2) . ?
C9 C10 1.458(3) . ?
C9 O2 1.213(3) . ?
C10 C11 1.399(3) . ?
C10 C15 1.385(3) . ?
C11 C12 1.380(3) . ?
C11 N2 1.435(3) . ?
C12 H12 0.9300 . ?
C12 C13 1.392(3) . ?
C13 H13 0.9300 . ?
C13 C14 1.385(3) . ?
C14 H14 0.9300 . ?
C14 C15 1.388(3) . ?
C15 H15 0.9300 . ?
Cl1 Cu1 2.2420(6) . ?
Cu1 Cl1 2.2420(6) 2_665 ?
Cu1 N1 2.0790(17) . ?
Cu1 N1 2.0790(17) 2_665 ?

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
C2 C1 H1 120.2 . . ?
C2 C1 C6 119.7(2) . . ?
C6 C1 H1 120.2 . . ?
C1 C2 H2 119.7 . . ?
C1 C2 C3 120.6(2) . . ?
C3 C2 H2 119.7 . . ?
C2 C3 H3 119.8 . . ?
C4 C3 C2 120.3(2) . . ?
C4 C3 H3 119.8 . . ?
C3 C4 H4 120.0 . . ?
C3 C4 C5 120.1(2) . . ?
C5 C4 H4 120.0 . . ?
C4 C5 C6 119.5(2) . . ?
C4 C5 C7 118.98(19) . . ?
C6 C5 C7 121.49(19) . . ?
C1 C6 C5 119.9(2) . . ?
C1 C6 N1 119.51(18) . . ?
N1 C6 C5 120.59(19) . . ?
N2 C7 C5 112.26(17) . . ?
O1 C7 C5 126.3(2) . . ?
O1 C7 N2 121.4(2) . . ?
N1 C8 C9 125.62(18) . . ?
N1 C8 N2 126.2(2) . . ?
N2 C8 C9 108.09(17) . . ?
C10 C9 C8 104.88(17) . . ?
O2 C9 C8 123.29(19) . . ?
O2 C9 C10 131.8(2) . . ?
C11 C10 C9 108.41(19) . . ?
C15 C10 C9 130.7(2) . . ?
C15 C10 C11 120.84(19) . . ?
C10 C11 N2 109.44(17) . . ?
C12 C11 C10 121.8(2) . . ?
C12 C11 N2 128.7(2) . . ?
C11 C12 H12 121.7 . . ?
C11 C12 C13 116.6(2) . . ?
C13 C12 H12 121.7 . . ?
C12 C13 H13 118.9 . . ?
C14 C13 C12 122.3(2) . . ?
C14 C13 H13 118.9 . . ?
C13 C14 H14 119.6 . . ?
C13 C14 C15 120.7(2) . . ?
C15 C14 H14 119.6 . . ?
C10 C15 C14 117.8(2) . . ?
C10 C15 H15 121.1 . . ?
C14 C15 H15 121.1 . . ?
Cl1 Cu1 Cl1 180.00(3) . 2_665 ?
N1 Cu1 Cl1 89.62(5) 2_665 2_665 ?
N1 Cu1 Cl1 90.38(5) . 2_665 ?
N1 Cu1 Cl1 90.38(5) 2_665 . ?
N1 Cu1 Cl1 89.62(5) . . ?
N1 Cu1 N1 180.0 2_665 . ?
C6 N1 Cu1 127.15(14) . . ?
C8 N1 C6 116.69(17) . . ?
C8 N1 Cu1 115.95(14) . . ?
C7 N2 C11 128.21(17) . . ?
C8 N2 C7 122.60(18) . . ?
C8 N2 C11 109.14(17) . . ?

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
C1 C2 C3 C4 1.3(4) . . . . ?
C1 C6 N1 C8 173.4(2) . . . . ?
C1 C6 N1 Cu1 -12.1(3) . . . . ?
C2 C1 C6 C5 -1.0(3) . . . . ?
C2 C1 C6 N1 -178.9(2) . . . . ?
C2 C3 C4 C5 -0.7(4) . . . . ?
C3 C4 C5 C6 -0.7(3) . . . . ?
C3 C4 C5 C7 176.0(2) . . . . ?
C4 C5 C6 C1 1.6(3) . . . . ?
C4 C5 C6 N1 179.47(19) . . . . ?
C4 C5 C7 N2 -176.11(19) . . . . ?
C4 C5 C7 O1 2.1(3) . . . . ?
C5 C6 N1 C8 -4.5(3) . . . . ?
C5 C6 N1 Cu1 169.99(15) . . . . ?
C5 C7 N2 C8 -2.3(3) . . . . ?
C5 C7 N2 C11 174.63(19) . . . . ?
C6 C1 C2 C3 -0.5(4) . . . . ?
C6 C5 C7 N2 0.6(3) . . . . ?
C6 C5 C7 O1 178.8(2) . . . . ?
C7 C5 C6 C1 -175.1(2) . . . . ?
C7 C5 C6 N1 2.8(3) . . . . ?
C8 C9 C10 C11 2.0(2) . . . . ?
C8 C9 C10 C15 179.0(2) . . . . ?
C9 C8 N1 C6 -173.48(19) . . . . ?
C9 C8 N1 Cu1 11.4(3) . . . . ?
C9 C8 N2 C7 177.52(18) . . . . ?
C9 C8 N2 C11 0.1(2) . . . . ?
C9 C10 C11 C12 177.3(2) . . . . ?
C9 C10 C11 N2 -2.0(2) . . . . ?
C9 C10 C15 C14 -176.4(2) . . . . ?
C10 C11 C12 C13 0.0(3) . . . . ?
C10 C11 N2 C7 -176.1(2) . . . . ?
C10 C11 N2 C8 1.2(2) . . . . ?
C11 C10 C15 C14 0.4(3) . . . . ?
C11 C12 C13 C14 -0.1(3) . . . . ?
C12 C11 N2 C7 4.8(4) . . . . ?
C12 C11 N2 C8 -178.0(2) . . . . ?
C12 C13 C14 C15 0.4(4) . . . . ?
C13 C14 C15 C10 -0.4(3) . . . . ?
C15 C10 C11 C12 -0.2(3) . . . . ?
C15 C10 C11 N2 -179.40(19) . . . . ?
Cl1 Cu1 N1 C6 -89.99(17) . . . . ?
Cl1 Cu1 N1 C6 90.01(17) 2_665 . . . ?
Cl1 Cu1 N1 C8 84.52(15) . . . . ?
Cl1 Cu1 N1 C8 -95.48(15) 2_665 . . . ?
N1 C8 C9 C10 175.7(2) . . . . ?
N1 C8 C9 O2 -3.8(3) . . . . ?
N1 C8 N2 C7 0.6(3) . . . . ?
N1 C8 N2 C11 -176.9(2) . . . . ?
N1 Cu1 N1 C6 75(100) 2_665 . . . ?
N1 Cu1 N1 C8 -110(100) 2_665 . . . ?
N2 C8 C9 C10 -1.2(2) . . . . ?
N2 C8 C9 O2 179.2(2) . . . . ?
N2 C8 N1 C6 2.9(3) . . . . ?
N2 C8 N1 Cu1 -172.18(16) . . . . ?
N2 C11 C12 C13 179.1(2) . . . . ?
O1 C7 N2 C8 179.4(2) . . . . ?
O1 C7 N2 C11 -3.6(3) . . . . ?
O2 C9 C10 C11 -178.6(2) . . . . ?
O2 C9 C10 C15 -1.5(4) . . . . ?

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_20161113_0m
_database_code_depnum_ccdc_archive 'CCDC 1816506'
_audit_update_record             
;
2018-01-12 deposited with the CCDC.
2018-08-13 downloaded from the CCDC.
;
_audit_creation_date             2017-11-11
_audit_creation_method           
;
  Olex2 1.2-ac2
  (compiled 2012.03.06 svn.r2239, GUI svn.r4109)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C30 H14 Br2 Cl2 Cu N4 O4'
_chemical_formula_sum            'C30 H14 Br2 Cl2 Cu N4 O4'
_chemical_formula_weight         788.71
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu 0.3201 1.2651 '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'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   10.8609(12)
_cell_length_b                   13.7631(15)
_cell_length_c                   18.269(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 97.096(5)
_cell_angle_gamma                90.00
_cell_volume                     2709.9(5)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3806
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      21.48
_cell_measurement_theta_min      3.11
_exptl_absorpt_coefficient_mu    4.000
_exptl_absorpt_correction_T_max  0.6454
_exptl_absorpt_correction_T_min  0.4872
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'Red brown'
_exptl_crystal_density_diffrn    1.933
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1548
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0921
_diffrn_reflns_av_unetI/netI     0.1175
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            19518
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.86
_diffrn_ambient_temperature      296.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_voltage           50.0
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                2738
_reflns_number_total             5501
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       ?
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.68A (Bruker, 2009)'
_computing_molecular_graphics    
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material  
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement  
;
XL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         3.472
_refine_diff_density_min         -0.770
_refine_diff_density_rms         0.190
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     388
_refine_ls_number_reflns         5501
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1780
_refine_ls_R_factor_gt           0.0944
_refine_ls_restrained_S_all      1.041
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.1754P)²+0.8933P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2623
_refine_ls_wR_factor_ref         0.3087
_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. 
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
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
Br1 Br 0.47034(12) 0.34374(11) 0.57733(7) 0.0674(5) Uani 1 1 d . . .
Br2 Br 0.00916(13) 0.62485(13) -0.32158(7) 0.0766(5) Uani 1 1 d . . .
C1 C 0.4019(10) 0.3135(9) 0.4799(6) 0.053(3) Uani 1 1 d . . .
C2 C 0.3809(11) 0.2198(9) 0.4590(7) 0.058(3) Uani 1 1 d . . .
H2 H 0.3983 0.1711 0.4941 0.069 Uiso 1 1 calc R . .
C3 C 0.3343(11) 0.1931(9) 0.3872(7) 0.057(3) Uani 1 1 d . . .
H3 H 0.3201 0.1286 0.3735 0.068 Uiso 1 1 calc R . .
C4 C 0.3103(10) 0.2694(9) 0.3376(7) 0.052(3) Uani 1 1 d . . .
C5 C 0.3361(11) 0.3645(8) 0.3565(7) 0.050(3) Uani 1 1 d . . .
C6 C 0.3799(10) 0.3896(9) 0.4278(7) 0.052(3) Uani 1 1 d . . .
H6 H 0.3946 0.4541 0.4413 0.062 Uiso 1 1 calc R . .
C7 C 0.3112(11) 0.4242(9) 0.2905(7) 0.052(3) Uani 1 1 d . . .
C8 C 0.2646(10) 0.3568(9) 0.2328(7) 0.051(3) Uani 1 1 d . . .
C9 C 0.2241(12) 0.1823(9) 0.2189(7) 0.058(3) Uani 1 1 d . . .
C10 C 0.1777(11) 0.2042(9) 0.1444(7) 0.056(3) Uani 1 1 d . . .
C11 C 0.1718(11) 0.3009(9) 0.1153(7) 0.054(3) Uani 1 1 d . . .
C12 C 0.1251(12) 0.3216(9) 0.0479(7) 0.058(3) Uani 1 1 d . . .
H12 H 0.1268 0.3851 0.0306 0.070 Uiso 1 1 calc R . .
C13 C 0.0728(12) 0.2480(10) 0.0020(7) 0.063(3) Uani 1 1 d . . .
H13 H 0.0347 0.2645 -0.0448 0.076 Uiso 1 1 calc R . .
C14 C 0.0750(13) 0.1503(11) 0.0230(8) 0.070(4) Uani 1 1 d . . .
H14 H 0.0441 0.1014 -0.0093 0.084 Uiso 1 1 calc R . .
C15 C 0.1258(12) 0.1307(9) 0.0945(8) 0.062(3) Uani 1 1 d . . .
H15 H 0.1263 0.0667 0.1110 0.074 Uiso 1 1 calc R . .
C16 C 0.0923(11) 0.6712(9) -0.2304(7) 0.056(3) Uani 1 1 d . . .
C17 C 0.1059(11) 0.7690(10) -0.2165(7) 0.058(3) Uani 1 1 d . . .
H17 H 0.0789 0.8128 -0.2538 0.069 Uiso 1 1 calc R . .
C18 C 0.1566(11) 0.8034(9) -0.1512(7) 0.053(3) Uani 1 1 d . . .
H18 H 0.1638 0.8699 -0.1429 0.064 Uiso 1 1 calc R . .
C19 C 0.1993(11) 0.7362(9) -0.0949(7) 0.055(3) Uani 1 1 d . . .
C20 C 0.1863(10) 0.6364(9) -0.1096(7) 0.050(3) Uani 1 1 d . . .
C21 C 0.1327(10) 0.6005(9) -0.1772(6) 0.050(3) Uani 1 1 d . . .
H21 H 0.1240 0.5343 -0.1866 0.060 Uiso 1 1 calc R . .
C22 C 0.2652(10) 0.6626(8) 0.0149(7) 0.047(3) Uani 1 1 d . . .
C23 C 0.2282(10) 0.5854(9) -0.0430(6) 0.050(3) Uani 1 1 d . . .
C24 C 0.2654(11) 0.8387(9) 0.0193(7) 0.052(3) Uani 1 1 d . . .
C25 C 0.3104(10) 0.8250(8) 0.0936(7) 0.050(3) Uani 1 1 d . . .
C26 C 0.3368(11) 0.9043(8) 0.1429(8) 0.054(3) Uani 1 1 d . . .
H26 H 0.3241 0.9667 0.1239 0.065 Uiso 1 1 calc R . .
C27 C 0.3765(11) 0.8963(9) 0.2107(8) 0.058(3) Uani 1 1 d . . .
H27 H 0.3919 0.9516 0.2396 0.070 Uiso 1 1 calc R . .
C28 C 0.3969(11) 0.8045(9) 0.2419(7) 0.057(3) Uani 1 1 d . . .
H28 H 0.4251 0.7988 0.2919 0.069 Uiso 1 1 calc R . .
C29 C 0.3753(10) 0.7212(9) 0.1989(7) 0.052(3) Uani 1 1 d . . .
H29 H 0.3905 0.6598 0.2193 0.063 Uiso 1 1 calc R . .
C30 C 0.3318(10) 0.7316(8) 0.1266(7) 0.048(3) Uani 1 1 d . . .
Cl1 Cl 0.4622(3) 0.4645(2) 0.11495(17) 0.0601(8) Uani 1 1 d . . .
Cl2 Cl 0.0753(3) 0.5622(2) 0.12755(19) 0.0639(9) Uani 1 1 d . . .
Cu1 Cu 0.26907(12) 0.51228(9) 0.12309(7) 0.0461(4) Uani 1 1 d . . .
N1 N 0.2471(9) 0.7511(6) -0.0217(5) 0.048(2) Uani 1 1 d . . .
N2 N 0.3019(9) 0.6489(7) 0.0824(6) 0.049(2) Uani 1 1 d . . .
N3 N 0.2661(9) 0.2635(7) 0.2605(5) 0.051(2) Uani 1 1 d . . .
N4 N 0.2258(9) 0.3775(7) 0.1629(6) 0.056(3) Uani 1 1 d . . .
O1 O 0.2335(8) 0.4993(6) -0.0276(4) 0.054(2) Uani 1 1 d . . .
O2 O 0.2396(9) 0.9173(6) -0.0149(6) 0.075(3) Uani 1 1 d . . .
O3 O 0.2296(11) 0.1012(7) 0.2454(6) 0.087(3) Uani 1 1 d . . .
O4 O 0.3242(8) 0.5114(6) 0.2824(5) 0.064(2) 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
Br1 C1 1.889(12) . ?
Br2 C16 1.905(13) . ?
C1 C2 1.356(16) . ?
C1 C6 1.415(16) . ?
C2 H2 0.9300 . ?
C2 C3 1.395(17) . ?
C3 H3 0.9300 . ?
C3 C4 1.390(16) . ?
C4 C5 1.373(17) . ?
C4 N3 1.432(16) . ?
C5 C6 1.375(16) . ?
C5 C7 1.457(17) . ?
C6 H6 0.9300 . ?
C7 C8 1.449(17) . ?
C7 O4 1.220(13) . ?
C8 N3 1.379(14) . ?
C8 N4 1.326(15) . ?
C9 C10 1.425(18) . ?
C9 N3 1.397(15) . ?
C9 O3 1.215(14) . ?
C10 C11 1.432(17) . ?
C10 C15 1.430(18) . ?
C11 C12 1.305(17) . ?
C11 N4 1.443(16) . ?
C12 H12 0.9300 . ?
C12 C13 1.390(17) . ?
C13 H13 0.9300 . ?
C13 C14 1.398(18) . ?
C14 H14 0.9300 . ?
C14 C15 1.380(18) . ?
C15 H15 0.9300 . ?
C16 C17 1.374(17) . ?
C16 C21 1.407(16) . ?
C17 H17 0.9300 . ?
C17 C18 1.336(17) . ?
C18 H18 0.9300 . ?
C18 C19 1.418(17) . ?
C19 C20 1.403(17) . ?
C19 N1 1.389(15) . ?
C20 C21 1.388(16) . ?
C20 C23 1.430(16) . ?
C21 H21 0.9300 . ?
C22 C23 1.518(16) . ?
C22 N1 1.392(14) . ?
C22 N2 1.262(15) . ?
C23 O1 1.218(13) . ?
C24 C25 1.398(17) . ?
C24 N1 1.420(15) . ?
C24 O2 1.264(14) . ?
C25 C26 1.420(16) . ?
C25 C30 1.427(16) . ?
C26 H26 0.9300 . ?
C26 C27 1.265(16) . ?
C27 H27 0.9300 . ?
C27 C28 1.392(17) . ?
C28 H28 0.9300 . ?
C28 C29 1.394(16) . ?
C29 H29 0.9300 . ?
C29 C30 1.353(16) . ?
C30 N2 1.411(15) . ?
Cl1 Cu1 2.220(3) . ?
Cl2 Cu1 2.225(3) . ?
Cu1 N2 2.069(9) . ?
Cu1 N4 2.068(10) . ?

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
C2 C1 Br1 120.5(9) . . ?
C2 C1 C6 120.4(12) . . ?
C6 C1 Br1 118.9(10) . . ?
C1 C2 H2 118.5 . . ?
C1 C2 C3 122.9(12) . . ?
C3 C2 H2 118.5 . . ?
C2 C3 H3 122.2 . . ?
C4 C3 C2 115.6(12) . . ?
C4 C3 H3 122.2 . . ?
C3 C4 N3 127.7(12) . . ?
C5 C4 C3 122.6(13) . . ?
C5 C4 N3 109.5(10) . . ?
C4 C5 C6 121.0(11) . . ?
C4 C5 C7 108.5(11) . . ?
C6 C5 C7 130.5(11) . . ?
C1 C6 H6 121.3 . . ?
C5 C6 C1 117.4(11) . . ?
C5 C6 H6 121.3 . . ?
C8 C7 C5 104.7(11) . . ?
O4 C7 C5 130.1(12) . . ?
O4 C7 C8 125.2(12) . . ?
N3 C8 C7 109.9(11) . . ?
N4 C8 C7 127.3(11) . . ?
N4 C8 N3 122.8(11) . . ?
N3 C9 C10 113.8(11) . . ?
O3 C9 C10 124.7(12) . . ?
O3 C9 N3 121.5(12) . . ?
C9 C10 C11 123.0(12) . . ?
C9 C10 C15 121.6(12) . . ?
C15 C10 C11 115.2(12) . . ?
C10 C11 N4 117.4(12) . . ?
C12 C11 C10 123.2(12) . . ?
C12 C11 N4 119.4(11) . . ?
C11 C12 H12 120.2 . . ?
C11 C12 C13 119.5(12) . . ?
C13 C12 H12 120.2 . . ?
C12 C13 H13 118.6 . . ?
C12 C13 C14 122.9(14) . . ?
C14 C13 H13 118.6 . . ?
C13 C14 H14 122.0 . . ?
C15 C14 C13 116.1(13) . . ?
C15 C14 H14 122.0 . . ?
C10 C15 H15 118.5 . . ?
C14 C15 C10 123.0(13) . . ?
C14 C15 H15 118.5 . . ?
C17 C16 Br2 121.2(10) . . ?
C17 C16 C21 122.2(12) . . ?
C21 C16 Br2 116.5(10) . . ?
C16 C17 H17 118.8 . . ?
C18 C17 C16 122.3(12) . . ?
C18 C17 H17 118.8 . . ?
C17 C18 H18 120.7 . . ?
C17 C18 C19 118.6(12) . . ?
C19 C18 H18 120.7 . . ?
C20 C19 C18 118.9(13) . . ?
N1 C19 C18 130.7(12) . . ?
N1 C19 C20 110.3(10) . . ?
C19 C20 C23 107.7(11) . . ?
C21 C20 C19 122.7(11) . . ?
C21 C20 C23 129.5(12) . . ?
C16 C21 H21 122.3 . . ?
C20 C21 C16 115.4(11) . . ?
C20 C21 H21 122.3 . . ?
N1 C22 C23 105.5(10) . . ?
N2 C22 C23 126.9(10) . . ?
N2 C22 N1 127.5(11) . . ?
C20 C23 C22 106.2(11) . . ?
O1 C23 C20 132.5(12) . . ?
O1 C23 C22 121.3(11) . . ?
C25 C24 N1 114.1(10) . . ?
O2 C24 C25 128.6(12) . . ?
O2 C24 N1 117.3(12) . . ?
C24 C25 C26 122.1(11) . . ?
C24 C25 C30 123.4(11) . . ?
C26 C25 C30 114.5(12) . . ?
C25 C26 H26 117.6 . . ?
C27 C26 C25 124.8(12) . . ?
C27 C26 H26 117.6 . . ?
C26 C27 H27 120.1 . . ?
C26 C27 C28 119.9(12) . . ?
C28 C27 H27 120.1 . . ?
C27 C28 H28 119.8 . . ?
C27 C28 C29 120.5(12) . . ?
C29 C28 H28 119.8 . . ?
C28 C29 H29 120.8 . . ?
C30 C29 C28 118.5(11) . . ?
C30 C29 H29 120.8 . . ?
C29 C30 C25 121.8(11) . . ?
C29 C30 N2 120.1(11) . . ?
N2 C30 C25 118.1(11) . . ?
Cl1 Cu1 Cl2 178.12(13) . . ?
N2 Cu1 Cl1 92.2(3) . . ?
N2 Cu1 Cl2 86.5(3) . . ?
N4 Cu1 Cl1 90.9(3) . . ?
N4 Cu1 Cl2 90.4(3) . . ?
N4 Cu1 N2 176.8(4) . . ?
C19 N1 C22 110.3(10) . . ?
C19 N1 C24 130.2(10) . . ?
C22 N1 C24 119.1(10) . . ?
C22 N2 C30 117.5(10) . . ?
C22 N2 Cu1 116.1(8) . . ?
C30 N2 Cu1 124.4(8) . . ?
C8 N3 C4 107.2(10) . . ?
C8 N3 C9 123.8(11) . . ?
C9 N3 C4 128.8(10) . . ?
C8 N4 C11 118.7(10) . . ?
C8 N4 Cu1 118.2(8) . . ?
C11 N4 Cu1 122.5(8) . . ?

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
Br1 C1 C2 C3 -177.9(8) . . . . ?
Br1 C1 C6 C5 176.7(8) . . . . ?
Br2 C16 C17 C18 175.5(8) . . . . ?
Br2 C16 C21 C20 -176.3(8) . . . . ?
C1 C2 C3 C4 0.1(17) . . . . ?
C2 C1 C6 C5 0.6(17) . . . . ?
C2 C3 C4 C5 3.0(16) . . . . ?
C2 C3 C4 N3 178.0(10) . . . . ?
C3 C4 C5 C6 -4.3(17) . . . . ?
C3 C4 C5 C7 174.6(10) . . . . ?
C3 C4 N3 C8 -175.8(11) . . . . ?
C3 C4 N3 C9 7.6(19) . . . . ?
C4 C5 C6 C1 2.4(16) . . . . ?
C4 C5 C7 C8 2.2(12) . . . . ?
C4 C5 C7 O4 -178.2(12) . . . . ?
C5 C4 N3 C8 -0.3(12) . . . . ?
C5 C4 N3 C9 -176.8(10) . . . . ?
C5 C7 C8 N3 -2.4(12) . . . . ?
C5 C7 C8 N4 177.9(10) . . . . ?
C6 C1 C2 C3 -1.8(18) . . . . ?
C6 C5 C7 C8 -179.1(11) . . . . ?
C6 C5 C7 O4 1(2) . . . . ?
C7 C5 C6 C1 -176.2(11) . . . . ?
C7 C8 N3 C4 1.7(12) . . . . ?
C7 C8 N3 C9 178.5(10) . . . . ?
C7 C8 N4 C11 -174.3(10) . . . . ?
C7 C8 N4 Cu1 14.7(15) . . . . ?
C9 C10 C11 C12 -177.3(11) . . . . ?
C9 C10 C11 N4 5.6(16) . . . . ?
C9 C10 C15 C14 176.9(12) . . . . ?
C10 C9 N3 C4 175.5(10) . . . . ?
C10 C9 N3 C8 -0.6(16) . . . . ?
C10 C11 C12 C13 3.1(19) . . . . ?
C10 C11 N4 C8 -7.7(15) . . . . ?
C10 C11 N4 Cu1 162.9(8) . . . . ?
C11 C10 C15 C14 0.9(17) . . . . ?
C11 C12 C13 C14 -4.5(19) . . . . ?
C12 C11 N4 C8 175.1(11) . . . . ?
C12 C11 N4 Cu1 -14.4(15) . . . . ?
C12 C13 C14 C15 3.9(19) . . . . ?
C13 C14 C15 C10 -2.2(18) . . . . ?
C15 C10 C11 C12 -1.4(17) . . . . ?
C15 C10 C11 N4 -178.5(10) . . . . ?
C16 C17 C18 C19 0.9(17) . . . . ?
C17 C16 C21 C20 0.4(16) . . . . ?
C17 C18 C19 C20 -0.2(16) . . . . ?
C17 C18 C19 N1 -175.1(11) . . . . ?
C18 C19 C20 C21 -0.3(16) . . . . ?
C18 C19 C20 C23 -176.1(9) . . . . ?
C18 C19 N1 C22 174.1(11) . . . . ?
C18 C19 N1 C24 1.4(19) . . . . ?
C19 C20 C21 C16 0.2(15) . . . . ?
C19 C20 C23 C22 1.4(11) . . . . ?
C19 C20 C23 O1 178.8(12) . . . . ?
C20 C19 N1 C22 -1.1(12) . . . . ?
C20 C19 N1 C24 -173.8(10) . . . . ?
C21 C16 C17 C18 -1.0(18) . . . . ?
C21 C20 C23 C22 -174.0(11) . . . . ?
C21 C20 C23 O1 3(2) . . . . ?
C23 C20 C21 C16 175.0(10) . . . . ?
C23 C22 N1 C19 1.9(11) . . . . ?
C23 C22 N1 C24 175.5(9) . . . . ?
C23 C22 N2 C30 179.9(9) . . . . ?
C23 C22 N2 Cu1 -15.6(14) . . . . ?
C24 C25 C26 C27 179.3(12) . . . . ?
C24 C25 C30 C29 -179.9(10) . . . . ?
C24 C25 C30 N2 -2.3(16) . . . . ?
C25 C24 N1 C19 176.9(10) . . . . ?
C25 C24 N1 C22 4.8(14) . . . . ?
C25 C26 C27 C28 -0.1(18) . . . . ?
C25 C30 N2 C22 4.4(14) . . . . ?
C25 C30 N2 Cu1 -158.7(8) . . . . ?
C26 C25 C30 C29 -0.8(15) . . . . ?
C26 C25 C30 N2 176.8(9) . . . . ?
C26 C27 C28 C29 0.7(17) . . . . ?
C27 C28 C29 C30 -1.3(17) . . . . ?
C28 C29 C30 C25 1.3(16) . . . . ?
C28 C29 C30 N2 -176.2(9) . . . . ?
C29 C30 N2 C22 -178.0(10) . . . . ?
C29 C30 N2 Cu1 19.0(14) . . . . ?
C30 C25 C26 C27 0.1(17) . . . . ?
Cl1 Cu1 N2 C22 99.6(8) . . . . ?
Cl1 Cu1 N2 C30 -97.2(8) . . . . ?
Cl1 Cu1 N4 C8 77.1(8) . . . . ?
Cl1 Cu1 N4 C11 -93.5(8) . . . . ?
Cl2 Cu1 N2 C22 -79.1(8) . . . . ?
Cl2 Cu1 N2 C30 84.2(8) . . . . ?
Cl2 Cu1 N4 C8 -104.3(8) . . . . ?
Cl2 Cu1 N4 C11 85.1(8) . . . . ?
N1 C19 C20 C21 175.5(9) . . . . ?
N1 C19 C20 C23 -0.3(12) . . . . ?
N1 C22 C23 C20 -2.1(11) . . . . ?
N1 C22 C23 O1 -179.8(10) . . . . ?
N1 C22 N2 C30 -1.9(17) . . . . ?
N1 C22 N2 Cu1 162.6(8) . . . . ?
N1 C24 C25 C26 178.7(9) . . . . ?
N1 C24 C25 C30 -2.3(16) . . . . ?
N2 C22 C23 C20 176.5(11) . . . . ?
N2 C22 C23 O1 -1.2(18) . . . . ?
N2 C22 N1 C19 -176.6(11) . . . . ?
N2 C22 N1 C24 -3.0(17) . . . . ?
N2 Cu1 N4 C8 -116(7) . . . . ?
N2 Cu1 N4 C11 73(7) . . . . ?
N3 C4 C5 C6 179.9(10) . . . . ?
N3 C4 C5 C7 -1.3(12) . . . . ?
N3 C8 N4 C11 6.0(16) . . . . ?
N3 C8 N4 Cu1 -165.0(8) . . . . ?
N3 C9 C10 C11 -1.5(16) . . . . ?
N3 C9 C10 C15 -177.2(10) . . . . ?
N4 C8 N3 C4 -178.6(10) . . . . ?
N4 C8 N3 C9 -1.8(16) . . . . ?
N4 C11 C12 C13 -179.9(11) . . . . ?
N4 Cu1 N2 C22 -67(7) . . . . ?
N4 Cu1 N2 C30 96(7) . . . . ?
O2 C24 C25 C26 -1.5(19) . . . . ?
O2 C24 C25 C30 177.6(11) . . . . ?
O2 C24 N1 C19 -3.0(17) . . . . ?
O2 C24 N1 C22 -175.1(10) . . . . ?
O3 C9 C10 C11 179.5(12) . . . . ?
O3 C9 C10 C15 3.8(19) . . . . ?
O3 C9 N3 C4 -5.5(19) . . . . ?
O3 C9 N3 C8 178.4(12) . . . . ?
O4 C7 C8 N3 178.0(10) . . . . ?
O4 C7 C8 N4 -1.8(19) . . . . ?

