# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# 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_1
_database_code_depnum_ccdc_archive 'CCDC 1420117'
_audit_update_record             
;
2015-12-29 deposited with the CCDC.
2016-01-11 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C54 H24 Cu10 N18 O4'
_chemical_formula_weight         1624.31

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'
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'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.0131(16)
_cell_length_b                   11.455(2)
_cell_length_c                   15.705(3)
_cell_angle_alpha                86.68(3)
_cell_angle_beta                 84.63(3)
_cell_angle_gamma                73.35(3)
_cell_volume                     1374.3(5)
_cell_formula_units_Z            1
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    11998
_cell_measurement_theta_min      3.1
_cell_measurement_theta_max      27.6

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      none
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.963
_exptl_crystal_F_000             796
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.18
_exptl_absorpt_coefficient_mu    3.851
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4221
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  scx-min
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            11994
_diffrn_reflns_av_unetI/netI     0.0570
_diffrn_reflns_av_R_equivalents  0.0459
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         3.057
_diffrn_reflns_theta_max         25.006
_diffrn_reflns_theta_full        25.006
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.998
_reflns_number_total             4850
_reflns_number_gt                3511
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0280P)²+0.5134P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         4850
_refine_ls_number_parameters     397
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0833
_refine_ls_R_factor_gt           0.0504
_refine_ls_wR_factor_ref         0.0893
_refine_ls_wR_factor_gt          0.0817
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_restrained_S_all      1.108
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 1.3243(11) 0.3495(8) 0.5123(6) 0.0487(13) Uani 0.5 1 d . . P A 1
Cu1' Cu 1.2855(11) 0.3771(8) 0.5269(6) 0.0448(11) Uani 0.5 1 d . . P A 2
Cu2 Cu 0.81010(8) 0.30904(7) 0.38419(4) 0.0601(2) Uani 1 1 d . . . . .
Cu3 Cu 0.31787(9) 0.26713(6) 0.24635(5) 0.0609(2) Uani 1 1 d . . . . .
Cu4 Cu -0.13092(7) 0.28916(6) 0.05034(4) 0.03995(18) Uani 1 1 d . . . . .
Cu5 Cu -0.26054(7) 0.47161(5) -0.05642(4) 0.04004(18) Uani 1 1 d . . . . .
O1 O 1.6711(5) 0.0588(4) 0.8335(2) 0.0759(12) Uani 1 1 d . . . . .
O2 O 0.1542(6) 0.0440(4) -0.3287(2) 0.0847(14) Uani 1 1 d . . . . .
N7 N -0.2174(5) 0.3662(3) -0.1634(2) 0.0326(9) Uani 1 1 d . . . . .
N6 N 0.0276(4) 0.1750(3) -0.0412(2) 0.0323(9) Uani 1 1 d . . . . .
N2 N 1.2801(5) 0.3540(3) 0.6643(2) 0.0356(9) Uani 1 1 d . . . . .
N1 N 1.5154(5) 0.1721(3) 0.5485(2) 0.0373(10) Uani 1 1 d . . . . .
N5 N 0.0239(5) 0.2697(4) 0.1442(3) 0.0506(11) Uani 1 1 d . . . . .
C26 C -0.3781(6) 0.3482(4) 0.0586(3) 0.0356(12) Uani 1 1 d . . . . .
C1 C 1.6373(7) 0.0811(5) 0.5084(3) 0.0503(14) Uani 1 1 d . . . . .
H1A H 1.6396 0.0795 0.4491 0.060 Uiso 1 1 calc R U . . .
C2 C 1.7584(7) -0.0095(5) 0.5490(4) 0.0553(15) Uani 1 1 d . . . . .
H2A H 1.8410 -0.0686 0.5172 0.066 Uiso 1 1 calc R U . . .
C3 C 1.7572(7) -0.0127(5) 0.6373(4) 0.0570(15) Uani 1 1 d . . . . .
H3A H 1.8372 -0.0737 0.6661 0.068 Uiso 1 1 calc R U . . .
C4 C 1.6337(6) 0.0776(4) 0.6806(3) 0.0390(12) Uani 1 1 d . . . . .
C5 C 1.5957(7) 0.1122(5) 0.7734(3) 0.0511(14) Uani 1 1 d . . . . .
C6 C 1.4474(6) 0.2283(4) 0.7740(3) 0.0385(12) Uani 1 1 d . . . . .
C7 C 1.3636(7) 0.3071(5) 0.8380(3) 0.0514(15) Uani 1 1 d . . . . .
H7A H 1.3910 0.2925 0.8947 0.062 Uiso 1 1 calc R U . . .
C8 C 1.2341(7) 0.4110(5) 0.8119(3) 0.0535(15) Uani 1 1 d . . . . .
H8A H 1.1726 0.4676 0.8519 0.064 Uiso 1 1 calc R U . . .
C9 C 1.1979(6) 0.4291(5) 0.7278(3) 0.0446(13) Uani 1 1 d . . . . .
H9A H 1.1102 0.4985 0.7134 0.053 Uiso 1 1 calc R U . . .
C10 C 1.4038(6) 0.2568(4) 0.6909(3) 0.0325(11) Uani 1 1 d . . . . .
C11 C 1.5185(5) 0.1656(4) 0.6334(3) 0.0319(11) Uani 1 1 d . . . . .
C14 C 0.1297(6) 0.2670(4) 0.1887(3) 0.0414(13) Uani 1 1 d . . . . .
C15 C 0.1517(6) 0.0815(4) -0.0074(3) 0.0422(13) Uani 1 1 d . . . . .
H15A H 0.1640 0.0816 0.0509 0.051 Uiso 1 1 calc R U . . .
C16 C 0.2609(6) -0.0139(5) -0.0534(3) 0.0523(15) Uani 1 1 d . . . . .
H16A H 0.3435 -0.0750 -0.0261 0.063 Uiso 1 1 calc R U . . .
C17 C 0.2471(6) -0.0180(5) -0.1394(4) 0.0519(14) Uani 1 1 d . . . . .
H17A H 0.3169 -0.0825 -0.1715 0.062 Uiso 1 1 calc R U . . .
C18 C 0.1252(6) 0.0774(5) -0.1765(3) 0.0425(13) Uani 1 1 d . . . . .
C19 C 0.0836(7) 0.1044(5) -0.2673(3) 0.0498(14) Uani 1 1 d . . . . .
C20 C -0.0543(6) 0.2215(5) -0.2674(3) 0.0410(12) Uani 1 1 d . . . . .
C21 C -0.1369(8) 0.2907(5) -0.3340(3) 0.0556(15) Uani 1 1 d . . . . .
H21A H -0.1090 0.2663 -0.3903 0.067 Uiso 1 1 calc R U . . .
C22 C -0.2622(7) 0.3975(5) -0.3138(3) 0.0540(15) Uani 1 1 d . . . . .
H22A H -0.3212 0.4472 -0.3568 0.065 Uiso 1 1 calc R U . . .
C23 C -0.3000(6) 0.4305(5) -0.2303(3) 0.0441(13) Uani 1 1 d . . . . .
H23A H -0.3883 0.5018 -0.2185 0.053 Uiso 1 1 calc R U . . .
C24 C -0.0956(6) 0.2626(4) -0.1833(3) 0.0297(11) Uani 1 1 d . . . . .
C25 C 0.0190(5) 0.1717(4) -0.1263(3) 0.0311(11) Uani 1 1 d . . . . .
N8 N -0.5231(5) 0.3959(4) 0.0675(3) 0.0461(11) Uani 1 1 d . . . . .
N9 N 1.4546(5) 0.4686(4) 0.5035(3) 0.0394(12) Uani 0.5 1 d . . P A -1
C27 C 1.4546(5) 0.4686(4) 0.5035(3) 0.0394(12) Uani 0.5 1 d . . P A -1
N10 N -0.0600(5) 0.4888(4) -0.0107(3) 0.0359(10) Uani 0.5 1 d . . P B -1
C28 C -0.0600(5) 0.4888(4) -0.0107(3) 0.0359(10) Uani 0.5 1 d . . P B -1
C13 C 0.6286(6) 0.2835(4) 0.3296(3) 0.0527(13) Uani 0.5 1 d . . P C 1
N4 N 0.5118(6) 0.2713(4) 0.2979(3) 0.0462(12) Uani 0.5 1 d . . P C 1
N4' N 0.6286(6) 0.2835(4) 0.3296(3) 0.0527(13) Uani 0.5 1 d . . P C 2
C13' C 0.5118(6) 0.2713(4) 0.2979(3) 0.0462(12) Uani 0.5 1 d . . P C 2
C12 C 1.1144(6) 0.3402(4) 0.4647(3) 0.0527(13) Uani 0.5 1 d . . P A 1
N3 N 0.9990(5) 0.3273(4) 0.4332(3) 0.0416(12) Uani 0.5 1 d . . P A 1
N3' N 1.1144(6) 0.3402(4) 0.4647(3) 0.0527(13) Uani 0.5 1 d . . P A 2
C12' C 0.9990(5) 0.3273(4) 0.4332(3) 0.0416(12) Uani 0.5 1 d . . P A 2


_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 N9 1.933(11) . ?
Cu1 C12 1.936(11) . ?
Cu1 N1 2.246(9) . ?
Cu1 N2 2.382(10) . ?
Cu1' N3' 1.909(11) . ?
Cu1' N2 2.156(10) . ?
Cu2 C12' 1.829(4) . ?
Cu2 N3 1.829(4) . ?
Cu2 C13 1.855(5) . ?
Cu2 N4' 1.855(5) . ?
Cu3 C14 1.830(5) . ?
Cu3 C13' 1.831(4) . ?
Cu3 N4 1.831(4) . ?
Cu4 C26 1.895(5) . ?
Cu4 N5 1.977(4) . ?
Cu4 N6 2.077(4) . ?
Cu4 Cu5 2.6333(12) . ?
Cu5 N10 1.884(3) . ?
Cu5 N8 1.964(4) 2_465 ?
Cu5 N7 2.071(4) . ?
Cu5 C26 2.509(5) . ?
O1 C5 1.208(5) . ?
O2 C19 1.216(5) . ?
N7 C24 1.334(5) . ?
N7 C23 1.358(5) . ?
N6 C25 1.348(5) . ?
N6 C15 1.357(5) . ?
N2 C10 1.337(5) . ?
N2 C9 1.350(6) . ?
N1 C11 1.333(5) . ?
N1 C1 1.348(6) . ?
N5 C14 1.141(5) . ?
C26 N8 1.133(5) . ?
C1 C2 1.374(7) . ?
C1 H1A 0.9300 . ?
C2 C3 1.385(7) . ?
C2 H2A 0.9300 . ?
C3 C4 1.371(6) . ?
C3 H3A 0.9300 . ?
C4 C11 1.388(6) . ?
C4 C5 1.512(7) . ?
C5 C6 1.508(7) . ?
C6 C10 1.379(6) . ?
C6 C7 1.382(6) . ?
C7 C8 1.406(7) . ?
C7 H7A 0.9300 . ?
C8 C9 1.369(7) . ?
C8 H8A 0.9300 . ?
C9 H9A 0.9300 . ?
C10 C11 1.468(6) . ?
C15 C16 1.381(6) . ?
C15 H15A 0.9300 . ?
C16 C17 1.370(7) . ?
C16 H16A 0.9300 . ?
C17 C18 1.382(7) . ?
C17 H17A 0.9300 . ?
C18 C25 1.400(6) . ?
C18 C19 1.490(7) . ?
C19 C20 1.473(7) . ?
C20 C21 1.377(7) . ?
C20 C24 1.406(6) . ?
C21 C22 1.373(7) . ?
C21 H21A 0.9300 . ?
C22 C23 1.370(6) . ?
C22 H22A 0.9300 . ?
C23 H23A 0.9300 . ?
C24 C25 1.492(6) . ?
N8 Cu5 1.964(4) 2_465 ?
C13 N4 1.146(5) . ?
N4' C13' 1.146(5) . ?
C12 N3 1.137(5) . ?
N3' C12' 1.137(5) . ?

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
N9 Cu1 C12 134.0(6) . . ?
N9 Cu1 N1 105.5(4) . . ?
C12 Cu1 N1 116.8(5) . . ?
N9 Cu1 N2 94.0(4) . . ?
C12 Cu1 N2 110.0(4) . . ?
N1 Cu1 N2 79.4(4) . . ?
N3' Cu1' N2 121.3(5) . . ?
N3 Cu2 C13 176.2(2) . . ?
C12' Cu2 N4' 176.2(2) . . ?
C14 Cu3 C13' 176.4(2) . . ?
C14 Cu3 N4 176.4(2) . . ?
C26 Cu4 N5 126.95(18) . . ?
C26 Cu4 N6 127.26(17) . . ?
N5 Cu4 N6 102.40(15) . . ?
C26 Cu4 Cu5 64.94(14) . . ?
N5 Cu4 Cu5 133.08(13) . . ?
N6 Cu4 Cu5 96.29(10) . . ?
N10 Cu5 N8 124.44(18) . 2_465 ?
N10 Cu5 N7 116.23(16) . . ?
N8 Cu5 N7 108.02(15) 2_465 . ?
N10 Cu5 C26 102.55(17) . . ?
N8 Cu5 C26 97.45(15) 2_465 . ?
N7 Cu5 C26 103.91(14) . . ?
N10 Cu5 Cu4 68.56(14) . . ?
N8 Cu5 Cu4 138.86(12) 2_465 . ?
N7 Cu5 Cu4 95.51(10) . . ?
C26 Cu5 Cu4 43.16(11) . . ?
C24 N7 C23 115.5(4) . . ?
C24 N7 Cu5 131.0(3) . . ?
C23 N7 Cu5 111.2(3) . . ?
C25 N6 C15 115.0(4) . . ?
C25 N6 Cu4 131.4(3) . . ?
C15 N6 Cu4 113.3(3) . . ?
C10 N2 C9 113.4(4) . . ?
C10 N2 Cu1' 113.4(3) . . ?
C9 N2 Cu1' 132.0(4) . . ?
C10 N2 Cu1 104.1(3) . . ?
C9 N2 Cu1 141.1(4) . . ?
C11 N1 C1 113.8(4) . . ?
C11 N1 Cu1 108.2(4) . . ?
C1 N1 Cu1 137.5(4) . . ?
C14 N5 Cu4 168.5(4) . . ?
N8 C26 Cu4 171.6(4) . . ?
N8 C26 Cu5 105.0(3) . . ?
Cu4 C26 Cu5 71.90(15) . . ?
N1 C1 C2 124.4(5) . . ?
N1 C1 H1A 117.8 . . ?
C2 C1 H1A 117.8 . . ?
C1 C2 C3 119.8(5) . . ?
C1 C2 H2A 120.1 . . ?
C3 C2 H2A 120.1 . . ?
C4 C3 C2 117.5(5) . . ?
C4 C3 H3A 121.3 . . ?
C2 C3 H3A 121.3 . . ?
C3 C4 C11 118.1(5) . . ?
C3 C4 C5 134.3(5) . . ?
C11 C4 C5 107.4(4) . . ?
O1 C5 C6 127.7(5) . . ?
O1 C5 C4 126.9(5) . . ?
C6 C5 C4 105.3(4) . . ?
C10 C6 C7 119.4(5) . . ?
C10 C6 C5 107.8(4) . . ?
C7 C6 C5 132.6(5) . . ?
C6 C7 C8 115.5(5) . . ?
C6 C7 H7A 122.2 . . ?
C8 C7 H7A 122.2 . . ?
C9 C8 C7 120.4(5) . . ?
C9 C8 H8A 119.8 . . ?
C7 C8 H8A 119.8 . . ?
N2 C9 C8 124.9(5) . . ?
N2 C9 H9A 117.6 . . ?
C8 C9 H9A 117.6 . . ?
N2 C10 C6 126.4(4) . . ?
N2 C10 C11 123.8(4) . . ?
C6 C10 C11 109.8(4) . . ?
N1 C11 C4 126.3(4) . . ?
N1 C11 C10 124.0(4) . . ?
C4 C11 C10 109.6(4) . . ?
N5 C14 Cu3 171.8(5) . . ?
N6 C15 C16 124.6(5) . . ?
N6 C15 H15A 117.7 . . ?
C16 C15 H15A 117.7 . . ?
C17 C16 C15 119.7(5) . . ?
C17 C16 H16A 120.1 . . ?
C15 C16 H16A 120.1 . . ?
C16 C17 C18 117.3(5) . . ?
C16 C17 H17A 121.4 . . ?
C18 C17 H17A 121.4 . . ?
C17 C18 C25 120.1(5) . . ?
C17 C18 C19 131.1(5) . . ?
C25 C18 C19 108.8(4) . . ?
O2 C19 C20 127.5(5) . . ?
O2 C19 C18 126.7(5) . . ?
C20 C19 C18 105.8(4) . . ?
C21 C20 C24 120.1(5) . . ?
C21 C20 C19 130.5(5) . . ?
C24 C20 C19 109.3(4) . . ?
C22 C21 C20 117.1(5) . . ?
C22 C21 H21A 121.4 . . ?
C20 C21 H21A 121.4 . . ?
C23 C22 C21 119.8(5) . . ?
C23 C22 H22A 120.1 . . ?
C21 C22 H22A 120.1 . . ?
N7 C23 C22 124.5(5) . . ?
N7 C23 H23A 117.8 . . ?
C22 C23 H23A 117.8 . . ?
N7 C24 C20 122.9(4) . . ?
N7 C24 C25 129.4(4) . . ?
C20 C24 C25 107.8(4) . . ?
N6 C25 C18 123.2(4) . . ?
N6 C25 C24 128.5(4) . . ?
C18 C25 C24 108.3(4) . . ?
C26 N8 Cu5 156.9(4) . 2_465 ?
N4 C13 Cu2 177.1(5) . . ?
C13 N4 Cu3 174.7(4) . . ?
C13' N4' Cu2 177.1(5) . . ?
N4' C13' Cu3 174.7(4) . . ?
N3 C12 Cu1 174.7(5) . . ?
C12 N3 Cu2 178.7(5) . . ?
C12' N3' Cu1' 172.3(5) . . ?
N3' C12' Cu2 178.7(5) . . ?

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
N5 Cu4 C26 Cu5 126.28(18) . . . . ?
N6 Cu4 C26 Cu5 -78.24(19) . . . . ?
C11 N1 C1 C2 -1.7(7) . . . . ?
Cu1 N1 C1 C2 168.4(6) . . . . ?
N1 C1 C2 C3 1.6(8) . . . . ?
C1 C2 C3 C4 -0.7(8) . . . . ?
C2 C3 C4 C11 0.1(7) . . . . ?
C2 C3 C4 C5 -175.1(5) . . . . ?
C3 C4 C5 O1 -3.1(10) . . . . ?
C11 C4 C5 O1 -178.6(5) . . . . ?
C3 C4 C5 C6 175.7(5) . . . . ?
C11 C4 C5 C6 0.1(5) . . . . ?
O1 C5 C6 C10 179.2(5) . . . . ?
C4 C5 C6 C10 0.4(5) . . . . ?
O1 C5 C6 C7 3.5(9) . . . . ?
C4 C5 C6 C7 -175.2(5) . . . . ?
C10 C6 C7 C8 1.7(7) . . . . ?
C5 C6 C7 C8 176.9(5) . . . . ?
C6 C7 C8 C9 -0.1(7) . . . . ?
C10 N2 C9 C8 0.1(7) . . . . ?
Cu1' N2 C9 C8 -166.2(5) . . . . ?
Cu1 N2 C9 C8 -163.2(5) . . . . ?
C7 C8 C9 N2 -0.9(8) . . . . ?
C9 N2 C10 C6 1.7(7) . . . . ?
Cu1' N2 C10 C6 170.7(5) . . . . ?
Cu1 N2 C10 C6 171.0(5) . . . . ?
C9 N2 C10 C11 -176.3(4) . . . . ?
Cu1' N2 C10 C11 -7.3(6) . . . . ?
Cu1 N2 C10 C11 -6.9(6) . . . . ?
C7 C6 C10 N2 -2.7(7) . . . . ?
C5 C6 C10 N2 -179.0(4) . . . . ?
C7 C6 C10 C11 175.5(4) . . . . ?
C5 C6 C10 C11 -0.8(5) . . . . ?
C1 N1 C11 C4 1.0(7) . . . . ?
Cu1 N1 C11 C4 -172.0(5) . . . . ?
C1 N1 C11 C10 177.3(4) . . . . ?
Cu1 N1 C11 C10 4.3(6) . . . . ?
C3 C4 C11 N1 -0.2(7) . . . . ?
C5 C4 C11 N1 176.1(4) . . . . ?
C3 C4 C11 C10 -177.0(4) . . . . ?
C5 C4 C11 C10 -0.6(5) . . . . ?
N2 C10 C11 N1 2.3(7) . . . . ?
C6 C10 C11 N1 -175.9(4) . . . . ?
N2 C10 C11 C4 179.2(4) . . . . ?
C6 C10 C11 C4 1.0(5) . . . . ?
C25 N6 C15 C16 -1.7(7) . . . . ?
Cu4 N6 C15 C16 172.8(4) . . . . ?
N6 C15 C16 C17 -0.2(8) . . . . ?
C15 C16 C17 C18 1.8(8) . . . . ?
C16 C17 C18 C25 -1.6(8) . . . . ?
C16 C17 C18 C19 176.4(5) . . . . ?
C17 C18 C19 O2 -0.4(10) . . . . ?
C25 C18 C19 O2 177.7(5) . . . . ?
C17 C18 C19 C20 -177.9(5) . . . . ?
C25 C18 C19 C20 0.2(5) . . . . ?
O2 C19 C20 C21 0.1(9) . . . . ?
C18 C19 C20 C21 177.6(5) . . . . ?
O2 C19 C20 C24 -178.1(5) . . . . ?
C18 C19 C20 C24 -0.6(5) . . . . ?
C24 C20 C21 C22 -1.9(7) . . . . ?
C19 C20 C21 C22 -179.9(5) . . . . ?
C20 C21 C22 C23 -0.1(8) . . . . ?
C24 N7 C23 C22 -2.1(7) . . . . ?
Cu5 N7 C23 C22 162.8(4) . . . . ?
C21 C22 C23 N7 2.2(8) . . . . ?
C23 N7 C24 C20 -0.1(6) . . . . ?
Cu5 N7 C24 C20 -161.3(3) . . . . ?
C23 N7 C24 C25 179.6(4) . . . . ?
Cu5 N7 C24 C25 18.4(7) . . . . ?
C21 C20 C24 N7 2.0(7) . . . . ?
C19 C20 C24 N7 -179.5(4) . . . . ?
C21 C20 C24 C25 -177.7(4) . . . . ?
C19 C20 C24 C25 0.8(5) . . . . ?
C15 N6 C25 C18 2.0(6) . . . . ?
Cu4 N6 C25 C18 -171.3(3) . . . . ?
C15 N6 C25 C24 -176.9(4) . . . . ?
Cu4 N6 C25 C24 9.9(7) . . . . ?
C17 C18 C25 N6 -0.4(7) . . . . ?
C19 C18 C25 N6 -178.7(4) . . . . ?
C17 C18 C25 C24 178.6(4) . . . . ?
C19 C18 C25 C24 0.3(5) . . . . ?
N7 C24 C25 N6 -1.4(7) . . . . ?
C20 C24 C25 N6 178.3(4) . . . . ?
N7 C24 C25 C18 179.6(4) . . . . ?
C20 C24 C25 C18 -0.7(5) . . . . ?
Cu5 C26 N8 Cu5 -14.5(11) . . . 2_465 ?

_refine_diff_density_max         0.418
_refine_diff_density_min         -0.329
_refine_diff_density_rms         0.076

