# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2014

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#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
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# 
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#  data retrieval see:
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#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_1
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         
'2(C12 H16 Cu N8 O3), 2(Cl O4), 2(H O0.50), 2(H2 O)'
_chemical_formula_sum            'C24 H38 Cl2 Cu2 N16 O17'
_chemical_formula_weight         1020.70

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'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c
_symmetry_space_group_name_Hall  '-P 2ybc'

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                   7.4245(11)
_cell_length_b                   14.980(2)
_cell_length_c                   17.2929(18)
_cell_angle_alpha                90.00
_cell_angle_beta                 104.992(5)
_cell_angle_gamma                90.00
_cell_volume                     1857.8(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    298(2)
_cell_measurement_reflns_used    5609
_cell_measurement_theta_min      2.72
_cell_measurement_theta_max      26.95

_exptl_crystal_description       block
_exptl_crystal_colour            blue
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.41
_exptl_crystal_size_min          0.38
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.825
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1044
_exptl_absorpt_coefficient_mu    1.387
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5870
_exptl_absorpt_correction_T_max  0.6208
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      298(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            8462
_diffrn_reflns_av_R_equivalents  0.0177
_diffrn_reflns_av_sigmaI/netI    0.0216
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_theta_min         2.44
_diffrn_reflns_theta_max         25.00
_reflns_number_total             3235
_reflns_number_gt                2843
_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)+(0.0602P)²+6.7628P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         3235
_refine_ls_number_parameters     283
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0559
_refine_ls_R_factor_gt           0.0488
_refine_ls_wR_factor_ref         0.1273
_refine_ls_wR_factor_gt          0.1233
_refine_ls_goodness_of_fit_ref   1.063
_refine_ls_restrained_S_all      1.063
_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
C3 C -0.4698(6) 0.5762(3) -0.1313(2) 0.0246(9) Uani 1 1 d . . .
H3 H -0.5470 0.6030 -0.1763 0.029 Uiso 1 1 calc R . .
C5 C -0.0216(5) 0.3557(3) 0.1641(2) 0.0216(8) Uani 1 1 d . . .
C6 C -0.1265(5) 0.4684(3) 0.0786(2) 0.0179(8) Uani 1 1 d . . .
C8 C 0.0699(5) 0.4975(3) 0.2010(2) 0.0213(8) Uani 1 1 d . . .
C11 C -0.3553(5) 0.4474(3) -0.0549(2) 0.0214(8) Uani 1 1 d . . .
H11 H -0.3533 0.3859 -0.0472 0.026 Uiso 1 1 calc R . .
C12 C -0.2454(5) 0.5028(3) 0.0020(2) 0.0180(8) Uani 1 1 d . . .
C13 C -0.3565(6) 0.6285(3) -0.0723(2) 0.0233(8) Uani 1 1 d . . .
H13 H -0.3584 0.6902 -0.0784 0.028 Uiso 1 1 calc R . .
C16 C -0.4684(6) 0.4851(3) -0.1235(2) 0.0233(9) Uani 1 1 d . . .
H16 H -0.5419 0.4494 -0.1634 0.028 Uiso 1 1 calc R . .
C18 C 0.0323(6) 0.8365(3) 0.0991(2) 0.0232(8) Uani 1 1 d . . .
H18A H -0.0380 0.8552 0.1364 0.028 Uiso 1 1 calc R . .
H18B H 0.0690 0.8891 0.0743 0.028 Uiso 1 1 calc R . .
C20 C 0.6266(5) 0.7433(3) 0.1409(2) 0.0216(8) Uani 1 1 d . . .
C22 C 0.2017(5) 0.7834(3) 0.1418(2) 0.0204(8) Uani 1 1 d . . .
C23 C 0.5342(5) 0.7785(3) 0.2044(2) 0.0246(9) Uani 1 1 d . . .
H23A H 0.5104 0.7287 0.2363 0.030 Uiso 1 1 calc R . .
H23B H 0.6199 0.8187 0.2398 0.030 Uiso 1 1 calc R . .
Cl1 Cl 0.3304(6) 0.0655(2) 0.11925(18) 0.0342(4) Uiso 0.486(7) 1 d P A 1
Cl2 Cl 0.2824(5) 0.06803(19) 0.12349(17) 0.0342(4) Uiso 0.514(7) 1 d P A 2
Cu1 Cu -0.07196(6) 0.65541(3) 0.08696(3) 0.01930(17) Uani 1 1 d . . .
O1W O 0.7802(4) 0.70328(18) 0.16996(16) 0.0225(6) Uani 1 1 d . . .
N1 N -0.0324(4) 0.5306(2) 0.12922(19) 0.0191(7) Uani 1 1 d . . .
N2 N 0.0753(5) 0.4110(2) 0.2209(2) 0.0235(7) Uani 1 1 d . . .
N3 N -0.1263(5) 0.3819(2) 0.09044(19) 0.0220(7) Uani 1 1 d . . .
N4 N -0.2439(4) 0.5920(2) -0.00631(19) 0.0196(7) Uani 1 1 d . . .
N5 N 0.1685(5) 0.5542(2) 0.2539(2) 0.0310(8) Uani 1 1 d . . .
H5A H 0.2335 0.5352 0.2995 0.037 Uiso 1 1 calc R . .
H5B H 0.1675 0.6102 0.2427 0.037 Uiso 1 1 calc R . .
N6 N -0.0180(5) 0.2690(2) 0.1788(2) 0.0289(8) Uani 1 1 d . . .
H6A H 0.0458 0.2488 0.2242 0.035 Uiso 1 1 calc R . .
H6B H -0.0795 0.2328 0.1430 0.035 Uiso 1 1 calc R . .
N7 N -0.0803(5) 0.7763(2) 0.0379(2) 0.0237(7) Uani 1 1 d . . .
H7A H -0.0335 0.7743 -0.0052 0.028 Uiso 1 1 calc R . .
H7B H -0.1988 0.7959 0.0222 0.028 Uiso 1 1 calc R . .
N22 N 0.3607(5) 0.8251(2) 0.1708(2) 0.0234(7) Uani 1 1 d . . .
H22A H 0.3430 0.8621 0.2091 0.028 Uiso 1 1 calc R . .
H22B H 0.3796 0.8598 0.1312 0.028 Uiso 1 1 calc R . .
O2 O 0.1847(4) 0.70089(18) 0.14939(16) 0.0235(6) Uani 1 1 d . . .
O3 O 0.5525(4) 0.7556(2) 0.06908(17) 0.0305(7) Uani 1 1 d . . .
O11 O 0.2625(14) 0.0389(7) 0.1962(6) 0.067(3) Uiso 0.486(7) 1 d P A 1
O12 O 0.4667(12) 0.0044(6) 0.1209(5) 0.055(2) Uiso 0.486(7) 1 d P A 1
O13 O 0.1702(10) 0.0530(5) 0.0566(4) 0.040(2) Uiso 0.486(7) 1 d P A 1
O14 O 0.4056(13) 0.1504(6) 0.1156(6) 0.042(2) Uiso 0.486(7) 1 d P A 1
O21 O 0.0958(15) 0.0806(7) 0.1112(6) 0.083(3) Uiso 0.514(7) 1 d P A 2
O22 O 0.3724(11) 0.0175(5) 0.1832(5) 0.050(2) Uiso 0.514(7) 1 d P A 2
O23 O 0.2863(12) 0.0243(6) 0.0432(5) 0.060(2) Uiso 0.514(7) 1 d P A 2
O24 O 0.3643(13) 0.1550(6) 0.1320(6) 0.046(2) Uiso 0.514(7) 1 d P A 2
O2W O 0.6922(12) 0.9999(5) 0.0754(4) 0.053(2) Uani 0.50 1 d P . .
H2WA H 0.7954 0.9739 0.1141 0.063 Uiso 0.50 1 d PR . .
H2WB H 0.6649 0.9630 0.0285 0.063 Uiso 0.50 1 d PR . .
O3W O 0.7688(5) 0.1735(3) 0.0387(2) 0.0382(8) Uani 1 1 d . . .
H3WA H 0.666(11) 0.195(5) 0.017(4) 0.08(2) Uiso 1 1 d . . .
H3WB H 0.761(9) 0.127(4) 0.047(4) 0.05(2) Uiso 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
C3 C16 1.372(6) . ?
C3 C13 1.385(6) . ?
C3 H3 0.9300 . ?
C5 N6 1.323(5) . ?
C5 N2 1.341(5) . ?
C5 N3 1.368(5) . ?
C6 N3 1.311(5) . ?
C6 N1 1.344(5) . ?
C6 C12 1.481(5) . ?
C8 N5 1.322(5) . ?
C8 N2 1.339(5) . ?
C8 N1 1.369(5) . ?
C11 C12 1.380(6) . ?
C11 C16 1.384(6) . ?
C11 H11 0.9300 . ?
C12 N4 1.344(5) . ?
C13 N4 1.344(5) . ?
C13 H13 0.9300 . ?
C16 H16 0.9300 . ?
C18 N7 1.475(5) . ?
C18 C22 1.509(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C20 O3 1.236(5) . ?
C20 O1W 1.271(5) . ?
C20 C23 1.530(6) . ?
C22 O2 1.253(5) . ?
C22 N22 1.314(5) . ?
C23 N22 1.448(5) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
Cl1 O12 1.360(9) . ?
Cl1 O14 1.397(9) . ?
Cl1 O13 1.400(8) . ?
Cl1 O11 1.591(11) . ?
Cl2 O22 1.315(8) . ?
Cl2 O21 1.359(11) . ?
Cl2 O24 1.429(9) . ?
Cl2 O23 1.541(9) . ?
Cu1 N7 1.994(3) . ?
Cu1 N1 2.001(3) . ?
Cu1 N4 2.017(3) . ?
Cu1 O2 2.048(3) . ?
Cu1 O1W 2.143(3) 1_455 ?
O1W Cu1 2.143(3) 1_655 ?
N5 H5A 0.8600 . ?
N5 H5B 0.8600 . ?
N6 H6A 0.8600 . ?
N6 H6B 0.8600 . ?
N7 H7A 0.9000 . ?
N7 H7B 0.9000 . ?
N22 H22A 0.9000 . ?
N22 H22B 0.9000 . ?
O2W H2WA 0.9600 . ?
O2W H2WB 0.9601 . ?
O3W H3WA 0.83(8) . ?
O3W H3WB 0.71(7) . ?

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
C16 C3 C13 120.1(4) . . ?
C16 C3 H3 119.9 . . ?
C13 C3 H3 119.9 . . ?
N6 C5 N2 119.0(4) . . ?
N6 C5 N3 116.0(4) . . ?
N2 C5 N3 124.9(4) . . ?
N3 C6 N1 127.1(4) . . ?
N3 C6 C12 117.4(3) . . ?
N1 C6 C12 115.5(3) . . ?
N5 C8 N2 118.0(4) . . ?
N5 C8 N1 118.2(4) . . ?
N2 C8 N1 123.8(4) . . ?
C12 C11 C16 118.8(4) . . ?
C12 C11 H11 120.6 . . ?
C16 C11 H11 120.6 . . ?
N4 C12 C11 122.8(4) . . ?
N4 C12 C6 115.0(3) . . ?
C11 C12 C6 122.2(4) . . ?
N4 C13 C3 121.4(4) . . ?
N4 C13 H13 119.3 . . ?
C3 C13 H13 119.3 . . ?
C3 C16 C11 118.5(4) . . ?
C3 C16 H16 120.7 . . ?
C11 C16 H16 120.7 . . ?
N7 C18 C22 106.0(3) . . ?
N7 C18 H18A 110.5 . . ?
C22 C18 H18A 110.5 . . ?
N7 C18 H18B 110.5 . . ?
C22 C18 H18B 110.5 . . ?
H18A C18 H18B 108.7 . . ?
O3 C20 O1W 126.0(4) . . ?
O3 C20 C23 120.3(4) . . ?
O1W C20 C23 113.7(3) . . ?
O2 C22 N22 122.2(4) . . ?
O2 C22 C18 118.5(3) . . ?
N22 C22 C18 119.3(3) . . ?
N22 C23 C20 113.3(3) . . ?
N22 C23 H23A 108.9 . . ?
C20 C23 H23A 108.9 . . ?
N22 C23 H23B 108.9 . . ?
C20 C23 H23B 108.9 . . ?
H23A C23 H23B 107.7 . . ?
O12 Cl1 O14 108.1(6) . . ?
O12 Cl1 O13 113.9(5) . . ?
O14 Cl1 O13 110.9(5) . . ?
O12 Cl1 O11 102.1(5) . . ?
O14 Cl1 O11 118.8(6) . . ?
O13 Cl1 O11 103.0(5) . . ?
O22 Cl2 O21 119.6(7) . . ?
O22 Cl2 O24 109.1(5) . . ?
O21 Cl2 O24 106.2(6) . . ?
O22 Cl2 O23 109.7(5) . . ?
O21 Cl2 O23 100.0(6) . . ?
O24 Cl2 O23 111.9(5) . . ?
N7 Cu1 N1 171.65(14) . . ?
N7 Cu1 N4 98.29(13) . . ?
N1 Cu1 N4 81.63(13) . . ?
N7 Cu1 O2 81.06(12) . . ?
N1 Cu1 O2 95.15(12) . . ?
N4 Cu1 O2 152.63(12) . . ?
N7 Cu1 O1W 90.92(13) . 1_455 ?
N1 Cu1 O1W 96.90(12) . 1_455 ?
N4 Cu1 O1W 111.44(12) . 1_455 ?
O2 Cu1 O1W 95.93(11) . 1_455 ?
C20 O1W Cu1 117.1(2) . 1_655 ?
C6 N1 C8 114.4(3) . . ?
C6 N1 Cu1 114.0(2) . . ?
C8 N1 Cu1 131.6(3) . . ?
C8 N2 C5 115.8(3) . . ?
C6 N3 C5 114.0(3) . . ?
C12 N4 C13 118.3(3) . . ?
C12 N4 Cu1 113.8(2) . . ?
C13 N4 Cu1 127.8(3) . . ?
C8 N5 H5A 120.0 . . ?
C8 N5 H5B 120.0 . . ?
H5A N5 H5B 120.0 . . ?
C5 N6 H6A 120.0 . . ?
C5 N6 H6B 120.0 . . ?
H6A N6 H6B 120.0 . . ?
C18 N7 Cu1 107.5(2) . . ?
C18 N7 H7A 110.2 . . ?
Cu1 N7 H7A 110.2 . . ?
C18 N7 H7B 110.2 . . ?
Cu1 N7 H7B 110.2 . . ?
H7A N7 H7B 108.5 . . ?
C22 N22 C23 122.8(3) . . ?
C22 N22 H22A 106.6 . . ?
C23 N22 H22A 106.6 . . ?
C22 N22 H22B 106.6 . . ?
C23 N22 H22B 106.6 . . ?
H22A N22 H22B 106.6 . . ?
C22 O2 Cu1 112.2(2) . . ?
H2WA O2W H2WB 108.1 . . ?
H3WA O3W H3WB 111(7) . . ?

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
C16 C11 C12 N4 0.1(6) . . . . ?
C16 C11 C12 C6 177.3(3) . . . . ?
N3 C6 C12 N4 178.5(3) . . . . ?
N1 C6 C12 N4 -0.3(5) . . . . ?
N3 C6 C12 C11 1.1(5) . . . . ?
N1 C6 C12 C11 -177.7(3) . . . . ?
C16 C3 C13 N4 -0.3(6) . . . . ?
C13 C3 C16 C11 1.5(6) . . . . ?
C12 C11 C16 C3 -1.4(6) . . . . ?
N7 C18 C22 O2 -32.4(5) . . . . ?
N7 C18 C22 N22 148.6(4) . . . . ?
O3 C20 C23 N22 -0.1(5) . . . . ?
O1W C20 C23 N22 179.1(3) . . . . ?
O3 C20 O1W Cu1 1.5(5) . . . 1_655 ?
C23 C20 O1W Cu1 -177.7(2) . . . 1_655 ?
N3 C6 N1 C8 -1.5(6) . . . . ?
C12 C6 N1 C8 177.2(3) . . . . ?
N3 C6 N1 Cu1 179.8(3) . . . . ?
C12 C6 N1 Cu1 -1.5(4) . . . . ?
N5 C8 N1 C6 179.2(4) . . . . ?
N2 C8 N1 C6 -1.1(5) . . . . ?
N5 C8 N1 Cu1 -2.4(6) . . . . ?
N2 C8 N1 Cu1 177.3(3) . . . . ?
N7 Cu1 N1 C6 -88.1(9) . . . . ?
N4 Cu1 N1 C6 1.9(3) . . . . ?
O2 Cu1 N1 C6 -150.7(3) . . . . ?
O1W Cu1 N1 C6 112.7(3) 1_455 . . . ?
N7 Cu1 N1 C8 93.5(10) . . . . ?
N4 Cu1 N1 C8 -176.5(4) . . . . ?
O2 Cu1 N1 C8 30.9(4) . . . . ?
O1W Cu1 N1 C8 -65.7(3) 1_455 . . . ?
N5 C8 N2 C5 -177.7(4) . . . . ?
N1 C8 N2 C5 2.6(6) . . . . ?
N6 C5 N2 C8 178.1(4) . . . . ?
N3 C5 N2 C8 -1.8(6) . . . . ?
N1 C6 N3 C5 2.1(6) . . . . ?
C12 C6 N3 C5 -176.5(3) . . . . ?
N6 C5 N3 C6 179.7(4) . . . . ?
N2 C5 N3 C6 -0.4(6) . . . . ?
C11 C12 N4 C13 1.1(5) . . . . ?
C6 C12 N4 C13 -176.3(3) . . . . ?
C11 C12 N4 Cu1 179.3(3) . . . . ?
C6 C12 N4 Cu1 1.9(4) . . . . ?
C3 C13 N4 C12 -1.0(6) . . . . ?
C3 C13 N4 Cu1 -179.0(3) . . . . ?
N7 Cu1 N4 C12 169.4(3) . . . . ?
N1 Cu1 N4 C12 -2.1(3) . . . . ?
O2 Cu1 N4 C12 82.9(4) . . . . ?
O1W Cu1 N4 C12 -96.3(3) 1_455 . . . ?
N7 Cu1 N4 C13 -12.6(3) . . . . ?
N1 Cu1 N4 C13 175.9(3) . . . . ?
O2 Cu1 N4 C13 -99.1(4) . . . . ?
O1W Cu1 N4 C13 81.7(3) 1_455 . . . ?
C22 C18 N7 Cu1 40.3(3) . . . . ?
N1 Cu1 N7 C18 -93.9(9) . . . . ?
N4 Cu1 N7 C18 177.3(3) . . . . ?
O2 Cu1 N7 C18 -30.4(2) . . . . ?
O1W Cu1 N7 C18 65.4(3) 1_455 . . . ?
O2 C22 N22 C23 8.3(6) . . . . ?
C18 C22 N22 C23 -172.8(4) . . . . ?
C20 C23 N22 C22 80.5(5) . . . . ?
N22 C22 O2 Cu1 -173.6(3) . . . . ?
C18 C22 O2 Cu1 7.4(4) . . . . ?
N7 Cu1 O2 C22 13.6(3) . . . . ?
N1 Cu1 O2 C22 -173.9(3) . . . . ?
N4 Cu1 O2 C22 104.4(3) . . . . ?
O1W Cu1 O2 C22 -76.4(3) 1_455 . . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.733
_refine_diff_density_min         -1.066
_refine_diff_density_rms         0.101
_database_code_depnum_ccdc_archive 'CCDC 977247'
