# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2019

####################################################################### 
# 
# 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_dog
_database_code_depnum_ccdc_archive 'CCDC 1876683'
loop_
_audit_author_name
_audit_author_address
'Tse-Wei Hsu'
;Chemistry Department, National Taiwan University
Taiwan
;
_audit_update_record             
;
2018-11-01 deposited with the CCDC.	2019-04-26 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            'C48 H46 Cu2 N8 O12'
_chemical_formula_weight         1054.01

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                   11.7538(10)
_cell_length_b                   12.8198(12)
_cell_length_c                   13.1515(12)
_cell_angle_alpha                118.519(3)
_cell_angle_beta                 96.302(3)
_cell_angle_gamma                110.063(3)
_cell_volume                     1543.1(2)
_cell_formula_units_Z            1
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    9836
_cell_measurement_theta_min      3.10
_cell_measurement_theta_max      26.39

_exptl_crystal_description       block
_exptl_crystal_colour            green
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_F_000             544
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.25
_exptl_absorpt_coefficient_mu    0.744
_shelx_estimated_absorpt_T_min   0.6538
_shelx_estimated_absorpt_T_max   0.7454
_exptl_absorpt_correction_type   none
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71075
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            41650
_diffrn_reflns_av_unetI/netI     0.0284
_diffrn_reflns_av_R_equivalents  0.0456
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         2.465
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_full        24.999
_diffrn_measured_fraction_theta_max 0.990
_diffrn_measured_fraction_theta_full 0.990
_diffrn_reflns_Laue_measured_fraction_max 0.990
_diffrn_reflns_Laue_measured_fraction_full 0.990
_diffrn_reflns_point_group_measured_fraction_max 0.990
_diffrn_reflns_point_group_measured_fraction_full 0.990
_reflns_number_total             5378
_reflns_number_gt                4724
_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.
 
 Structure factors included contributions from the .fab file.
 
 _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       'Bruker APEX2'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

# SQUEEZE RESULTS (Version = 260918)
# Note: Data are Listed for all Voids in the P1 Unit Cell
# i.e. Centre of Gravity, Solvent Accessible Volume,
# Recovered number of Electrons in the Void and
# Details about the Squeezed 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)+(0.0869P)²+5.6056P] 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         5378
_refine_ls_number_parameters     316
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0663
_refine_ls_R_factor_gt           0.0583
_refine_ls_wR_factor_ref         0.1645
_refine_ls_wR_factor_gt          0.1576
_refine_ls_goodness_of_fit_ref   1.068
_refine_ls_restrained_S_all      1.068
_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 0.35820(4) 0.95748(4) 0.45816(4) 0.01327(15) Uani 1 1 d . . . . .
O1 O 0.8298(3) 1.2671(3) 0.1549(3) 0.0296(7) Uani 1 1 d . . . . .
O2 O 0.6624(3) 1.1642(3) 0.1898(2) 0.0189(6) Uani 1 1 d . . . . .
O3 O 0.5183(2) 1.1122(3) 0.5695(2) 0.0186(6) Uani 1 1 d . . . . .
N1 N 0.3000(3) 0.9738(3) 0.2865(3) 0.0143(6) Uani 1 1 d . . . . .
N2 N 0.2546(3) 1.0603(3) 0.5111(3) 0.0151(6) Uani 1 1 d . . . . .
N3 N 0.2039(3) 0.7800(3) 0.3446(3) 0.0125(6) Uani 1 1 d . . . . .
C1 C 0.7505(4) 1.1601(4) 0.1285(4) 0.0201(8) Uani 1 1 d . . . . .
C2 C 0.7378(4) 1.0313(4) 0.0401(4) 0.0197(8) Uani 1 1 d . . . . .
H2 H 0.7978 1.0263 -0.0027 0.024 Uiso 1 1 calc R U . . .
C3 C 0.6439(4) 0.9166(4) 0.0151(3) 0.0168(8) Uani 1 1 d . . . . .
C4 C 0.6308(4) 0.7837(4) -0.0806(4) 0.0267(9) Uani 1 1 d . . . . .
H4A H 0.5578 0.7131 -0.0854 0.040 Uiso 1 1 calc R U . . .
H4B H 0.6165 0.7736 -0.1603 0.040 Uiso 1 1 calc R U . . .
H4C H 0.7095 0.7773 -0.0589 0.040 Uiso 1 1 calc R U . . .
C5 C 0.5537(4) 0.9246(4) 0.0815(3) 0.0145(7) Uani 1 1 d . . . . .
C6 C 0.5663(3) 1.0497(4) 0.1673(3) 0.0139(7) Uani 1 1 d . . . . .
C7 C 0.4852(3) 1.0705(4) 0.2360(3) 0.0144(7) Uani 1 1 d . . . . .
H7 H 0.4974 1.1580 0.2927 0.017 Uiso 1 1 calc R U . . .
C8 C 0.3850(3) 0.9595(4) 0.2198(3) 0.0134(7) Uani 1 1 d . . . . .
C9 C 0.3717(4) 0.8316(4) 0.1356(3) 0.0185(8) Uani 1 1 d . . . . .
H9 H 0.3052 0.7557 0.1252 0.022 Uiso 1 1 calc R U . . .
C10 C 0.4532(4) 0.8146(4) 0.0681(3) 0.0183(8) Uani 1 1 d . . . . .
H10 H 0.4415 0.7272 0.0116 0.022 Uiso 1 1 calc R U . . .
C11 C 0.3082(4) 1.1084(4) 0.3603(4) 0.0187(8) Uani 1 1 d . . . . .
H11A H 0.2704 1.1287 0.3052 0.022 Uiso 1 1 calc R U . . .
H11B H 0.3995 1.1752 0.4047 0.022 Uiso 1 1 calc R U . . .
C12 C 0.2385(4) 1.1175(4) 0.4508(3) 0.0169(8) Uani 1 1 d . . . . .
C13 C 0.1655(4) 1.1865(4) 0.4751(4) 0.0235(9) Uani 1 1 d . . . . .
H13 H 0.1520 1.2228 0.4293 0.028 Uiso 1 1 calc R U . . .
C14 C 0.1131(4) 1.2011(4) 0.5671(4) 0.0245(9) Uani 1 1 d . . . . .
H14 H 0.0639 1.2490 0.5864 0.029 Uiso 1 1 calc R U . . .
C15 C 0.1325(4) 1.1457(4) 0.6306(4) 0.0217(8) Uani 1 1 d . . . . .
H15 H 0.0973 1.1556 0.6944 0.026 Uiso 1 1 calc R U . . .
C16 C 0.2041(4) 1.0751(4) 0.6009(3) 0.0197(8) Uani 1 1 d . . . . .
C17 C 0.2274(5) 1.0128(5) 0.6676(4) 0.0321(10) Uani 1 1 d . . . . .
H17A H 0.1857 1.0308 0.7304 0.048 Uiso 1 1 calc R U . . .
H17B H 0.1918 0.9163 0.6093 0.048 Uiso 1 1 calc R U . . .
H17C H 0.3200 1.0504 0.7067 0.048 Uiso 1 1 calc R U . . .
C18 C 0.1665(4) 0.8679(4) 0.2195(3) 0.0162(8) Uani 1 1 d . . . . .
H18A H 0.1499 0.8292 0.1307 0.019 Uiso 1 1 calc R U . . .
H18B H 0.1081 0.9085 0.2438 0.019 Uiso 1 1 calc R U . . .
C19 C 0.1335(3) 0.7558(4) 0.2407(3) 0.0144(7) Uani 1 1 d . . . . .
C20 C 0.0298(4) 0.6343(4) 0.1545(4) 0.0224(9) Uani 1 1 d . . . . .
H20 H -0.0161 0.6194 0.0809 0.027 Uiso 1 1 calc R U . . .
C21 C -0.0065(4) 0.5341(4) 0.1767(4) 0.0285(10) Uani 1 1 d . . . . .
H21 H -0.0789 0.4503 0.1200 0.034 Uiso 1 1 calc R U . . .
C22 C 0.0659(4) 0.5596(4) 0.2840(4) 0.0231(9) Uani 1 1 d . . . . .
H22 H 0.0429 0.4925 0.3012 0.028 Uiso 1 1 calc R U . . .
C23 C 0.1706(4) 0.6812(4) 0.3657(3) 0.0164(8) Uani 1 1 d . . . . .
C24 C 0.2521(4) 0.7078(4) 0.4797(4) 0.0232(9) Uani 1 1 d . . . . .
H24A H 0.2172 0.6286 0.4830 0.035 Uiso 1 1 calc R U . . .
H24B H 0.3402 0.7289 0.4785 0.035 Uiso 1 1 calc R U . . .
H24C H 0.2521 0.7832 0.5520 0.035 Uiso 1 1 calc R U . . .
O4 O 0.8630(6) 0.7964(7) 0.1029(5) 0.0895(18) Uani 1 1 d . . . . .
O5 O 0.7376(6) 0.5613(8) -0.0122(7) 0.114(3) Uani 1 1 d . . . . .
O6 O 0.8818(8) 0.6811(10) -0.0669(7) 0.131(3) Uani 1 1 d . . . . .
N4 N 0.8241(8) 0.6755(9) 0.0035(7) 0.089(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
Cu1 O3 1.918(3) . ?
Cu1 O3 1.931(3) 2_676 ?
Cu1 N3 2.007(3) . ?
Cu1 N2 2.029(3) . ?
Cu1 N1 2.413(3) . ?
Cu1 Cu1 3.0110(9) 2_676 ?
O1 C1 1.212(5) . ?
O2 C6 1.376(4) . ?
O2 C1 1.380(5) . ?
O3 Cu1 1.931(3) 2_676 ?
N1 C8 1.401(5) . ?
N1 C18 1.475(5) . ?
N1 C11 1.481(5) . ?
N2 C16 1.341(5) . ?
N2 C12 1.348(5) . ?
N3 C19 1.349(5) . ?
N3 C23 1.361(5) . ?
C1 C2 1.435(6) . ?
C2 C3 1.353(6) . ?
C2 H2 0.9500 . ?
C3 C5 1.446(5) . ?
C3 C4 1.497(5) . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 C6 1.392(5) . ?
C5 C10 1.411(5) . ?
C6 C7 1.389(5) . ?
C7 C8 1.401(5) . ?
C7 H7 0.9500 . ?
C8 C9 1.411(5) . ?
C9 C10 1.378(6) . ?
C9 H9 0.9500 . ?
C10 H10 0.9500 . ?
C11 C12 1.499(5) . ?
C11 H11A 0.9900 . ?
C11 H11B 0.9900 . ?
C12 C13 1.390(6) . ?
C13 C14 1.381(6) . ?
C13 H13 0.9500 . ?
C14 C15 1.374(6) . ?
C14 H14 0.9500 . ?
C15 C16 1.392(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.501(6) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 C19 1.522(5) . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C19 C20 1.380(5) . ?
C20 C21 1.388(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.388(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.376(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.502(5) . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
O4 N4 1.330(9) . ?
O5 N4 1.365(10) . ?
O6 N4 1.220(9) . ?

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
O3 Cu1 O3 77.09(12) . 2_676 ?
O3 Cu1 N3 171.27(11) . . ?
O3 Cu1 N3 95.13(11) 2_676 . ?
O3 Cu1 N2 93.09(12) . . ?
O3 Cu1 N2 170.12(12) 2_676 . ?
N3 Cu1 N2 94.59(12) . . ?
O3 Cu1 N1 106.06(11) . . ?
O3 Cu1 N1 105.77(11) 2_676 . ?
N3 Cu1 N1 79.68(11) . . ?
N2 Cu1 N1 77.77(11) . . ?
O3 Cu1 Cu1 38.70(8) . 2_676 ?
O3 Cu1 Cu1 38.39(8) 2_676 2_676 ?
N3 Cu1 Cu1 133.40(9) . 2_676 ?
N2 Cu1 Cu1 131.78(9) . 2_676 ?
N1 Cu1 Cu1 110.52(8) . 2_676 ?
C6 O2 C1 121.5(3) . . ?
Cu1 O3 Cu1 102.91(12) . 2_676 ?
C8 N1 C18 115.2(3) . . ?
C8 N1 C11 117.2(3) . . ?
C18 N1 C11 112.8(3) . . ?
C8 N1 Cu1 111.0(2) . . ?
C18 N1 Cu1 102.0(2) . . ?
C11 N1 Cu1 95.8(2) . . ?
C16 N2 C12 119.5(3) . . ?
C16 N2 Cu1 124.4(3) . . ?
C12 N2 Cu1 116.0(3) . . ?
C19 N3 C23 118.7(3) . . ?
C19 N3 Cu1 118.6(2) . . ?
C23 N3 Cu1 122.6(2) . . ?
O1 C1 O2 115.6(4) . . ?
O1 C1 C2 127.2(4) . . ?
O2 C1 C2 117.2(3) . . ?
C3 C2 C1 122.9(4) . . ?
C3 C2 H2 118.6 . . ?
C1 C2 H2 118.6 . . ?
C2 C3 C5 118.4(4) . . ?
C2 C3 C4 121.5(4) . . ?
C5 C3 C4 120.1(3) . . ?
C3 C4 H4A 109.5 . . ?
C3 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C3 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C6 C5 C10 116.3(3) . . ?
C6 C5 C3 118.6(3) . . ?
C10 C5 C3 125.1(3) . . ?
O2 C6 C7 114.6(3) . . ?
O2 C6 C5 121.3(3) . . ?
C7 C6 C5 124.1(3) . . ?
C6 C7 C8 118.5(3) . . ?
C6 C7 H7 120.7 . . ?
C8 C7 H7 120.7 . . ?
C7 C8 N1 121.3(3) . . ?
C7 C8 C9 118.6(3) . . ?
N1 C8 C9 120.1(3) . . ?
C10 C9 C8 121.3(3) . . ?
C10 C9 H9 119.4 . . ?
C8 C9 H9 119.4 . . ?
C9 C10 C5 121.1(3) . . ?
C9 C10 H10 119.4 . . ?
C5 C10 H10 119.4 . . ?
N1 C11 C12 111.1(3) . . ?
N1 C11 H11A 109.4 . . ?
C12 C11 H11A 109.4 . . ?
N1 C11 H11B 109.4 . . ?
C12 C11 H11B 109.4 . . ?
H11A C11 H11B 108.0 . . ?
N2 C12 C13 121.7(4) . . ?
N2 C12 C11 116.7(3) . . ?
C13 C12 C11 121.5(3) . . ?
C14 C13 C12 118.6(4) . . ?
C14 C13 H13 120.7 . . ?
C12 C13 H13 120.7 . . ?
C15 C14 C13 119.5(4) . . ?
C15 C14 H14 120.3 . . ?
C13 C14 H14 120.3 . . ?
C14 C15 C16 119.6(4) . . ?
C14 C15 H15 120.2 . . ?
C16 C15 H15 120.2 . . ?
N2 C16 C15 121.0(4) . . ?
N2 C16 C17 117.7(4) . . ?
C15 C16 C17 121.4(4) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
N1 C18 C19 115.0(3) . . ?
N1 C18 H18A 108.5 . . ?
C19 C18 H18A 108.5 . . ?
N1 C18 H18B 108.5 . . ?
C19 C18 H18B 108.5 . . ?
H18A C18 H18B 107.5 . . ?
N3 C19 C20 122.5(3) . . ?
N3 C19 C18 118.9(3) . . ?
C20 C19 C18 118.6(3) . . ?
C19 C20 C21 119.1(4) . . ?
C19 C20 H20 120.4 . . ?
C21 C20 H20 120.4 . . ?
C22 C21 C20 118.2(4) . . ?
C22 C21 H21 120.9 . . ?
C20 C21 H21 120.9 . . ?
C23 C22 C21 120.5(4) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
N3 C23 C22 120.9(3) . . ?
N3 C23 C24 118.3(3) . . ?
C22 C23 C24 120.8(3) . . ?
C23 C24 H24A 109.5 . . ?
C23 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C23 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
O6 N4 O4 110.6(9) . . ?
O6 N4 O5 125.5(9) . . ?
O4 N4 O5 123.8(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
C6 O2 C1 O1 179.2(3) . . . . ?
C6 O2 C1 C2 0.1(5) . . . . ?
O1 C1 C2 C3 -178.6(4) . . . . ?
O2 C1 C2 C3 0.4(6) . . . . ?
C1 C2 C3 C5 -0.8(6) . . . . ?
C1 C2 C3 C4 178.0(4) . . . . ?
C2 C3 C5 C6 0.7(5) . . . . ?
C4 C3 C5 C6 -178.1(3) . . . . ?
C2 C3 C5 C10 -178.2(4) . . . . ?
C4 C3 C5 C10 3.1(6) . . . . ?
C1 O2 C6 C7 -179.8(3) . . . . ?
C1 O2 C6 C5 -0.2(5) . . . . ?
C10 C5 C6 O2 178.7(3) . . . . ?
C3 C5 C6 O2 -0.2(5) . . . . ?
C10 C5 C6 C7 -1.7(5) . . . . ?
C3 C5 C6 C7 179.4(3) . . . . ?
O2 C6 C7 C8 -179.6(3) . . . . ?
C5 C6 C7 C8 0.8(5) . . . . ?
C6 C7 C8 N1 179.9(3) . . . . ?
C6 C7 C8 C9 0.8(5) . . . . ?
C18 N1 C8 C7 145.1(3) . . . . ?
C11 N1 C8 C7 8.9(5) . . . . ?
Cu1 N1 C8 C7 -99.6(3) . . . . ?
C18 N1 C8 C9 -35.7(5) . . . . ?
C11 N1 C8 C9 -171.9(3) . . . . ?
Cu1 N1 C8 C9 79.5(4) . . . . ?
C7 C8 C9 C10 -1.4(5) . . . . ?
N1 C8 C9 C10 179.4(3) . . . . ?
C8 C9 C10 C5 0.5(6) . . . . ?
C6 C5 C10 C9 1.0(5) . . . . ?
C3 C5 C10 C9 179.8(4) . . . . ?
C8 N1 C11 C12 -165.0(3) . . . . ?
C18 N1 C11 C12 57.8(4) . . . . ?
Cu1 N1 C11 C12 -47.8(3) . . . . ?
C16 N2 C12 C13 -3.1(6) . . . . ?
Cu1 N2 C12 C13 177.6(3) . . . . ?
C16 N2 C12 C11 174.2(3) . . . . ?
Cu1 N2 C12 C11 -5.1(4) . . . . ?
N1 C11 C12 N2 42.4(5) . . . . ?
N1 C11 C12 C13 -140.2(4) . . . . ?
N2 C12 C13 C14 2.8(6) . . . . ?
C11 C12 C13 C14 -174.4(4) . . . . ?
C12 C13 C14 C15 -1.0(6) . . . . ?
C13 C14 C15 C16 -0.4(6) . . . . ?
C12 N2 C16 C15 1.7(6) . . . . ?
Cu1 N2 C16 C15 -179.1(3) . . . . ?
C12 N2 C16 C17 -178.4(4) . . . . ?
Cu1 N2 C16 C17 0.8(5) . . . . ?
C14 C15 C16 N2 0.1(6) . . . . ?
C14 C15 C16 C17 -179.8(4) . . . . ?
C8 N1 C18 C19 95.2(4) . . . . ?
C11 N1 C18 C19 -126.7(3) . . . . ?
Cu1 N1 C18 C19 -25.1(3) . . . . ?
C23 N3 C19 C20 -0.6(5) . . . . ?
Cu1 N3 C19 C20 176.6(3) . . . . ?
C23 N3 C19 C18 177.2(3) . . . . ?
Cu1 N3 C19 C18 -5.5(4) . . . . ?
N1 C18 C19 N3 23.8(5) . . . . ?
N1 C18 C19 C20 -158.3(3) . . . . ?
N3 C19 C20 C21 2.1(6) . . . . ?
C18 C19 C20 C21 -175.7(4) . . . . ?
C19 C20 C21 C22 -1.7(7) . . . . ?
C20 C21 C22 C23 0.0(7) . . . . ?
C19 N3 C23 C22 -1.2(5) . . . . ?
Cu1 N3 C23 C22 -178.3(3) . . . . ?
C19 N3 C23 C24 178.1(3) . . . . ?
Cu1 N3 C23 C24 0.9(5) . . . . ?
C21 C22 C23 N3 1.5(6) . . . . ?
C21 C22 C23 C24 -177.8(4) . . . . ?

_refine_diff_density_max         1.318
_refine_diff_density_min         -0.909
_refine_diff_density_rms         0.111



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: H2O/MeOH'
_exptl_crystal_preparation       Luminescent
