# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 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_1_sq
_database_code_depnum_ccdc_archive 'CCDC 1872997'
loop_
_audit_author_name
_audit_author_address
'weidong fan'
;China University of Petroleum
China
;
_audit_update_record             
;
2018-11-09 deposited with the CCDC.	2019-03-12 downloaded from the CCDC.
;
_audit_creation_date             2018-10-12
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2014/7
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C216 H160 Cu12 N8 O64'
_chemical_formula_sum            'C216 H160 Cu12 N8 O64'
_chemical_formula_weight         4653.99
_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 0.0181 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'
Cu Cu -1.9646 0.5888 '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'

_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.
;
_space_group_crystal_system      orthorhombic
_space_group_IT_number           64
_space_group_name_H-M_alt        'C m c e'
_space_group_name_Hall           '-C 2bc 2'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y+1/2, z+1/2'
'x, -y, -z'
'-x, y+1/2, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1, z+1/2'
'x+1/2, -y+1/2, -z'
'-x+1/2, y+1, -z+1/2'
'-x, -y, -z'
'x, y-1/2, -z-1/2'
'-x, y, z'
'x, -y-1/2, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, y, -z-1/2'
'-x+1/2, y+1/2, z'
'x+1/2, -y, z-1/2'

_cell_length_a                   59.7742(15)
_cell_length_b                   29.1040(6)
_cell_length_c                   13.6375(5)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     23724.7(12)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    5189
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      46.9250
_cell_measurement_theta_min      4.2040
_shelx_estimated_absorpt_T_max   0.828
_shelx_estimated_absorpt_T_min   0.775
_exptl_absorpt_coefficient_mu    0.894
_exptl_absorpt_correction_T_max  0.8277
_exptl_absorpt_correction_T_min  0.7754
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'dull bluish blue'
_exptl_crystal_colour_lustre     dull
_exptl_crystal_colour_modifier   bluish
_exptl_crystal_colour_primary    blue
_exptl_crystal_density_diffrn    0.651
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             4744
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.22
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1240
_diffrn_reflns_av_unetI/netI     0.1168
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       41
_diffrn_reflns_limit_h_min       -70
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -34
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            26580
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        66.495
_diffrn_reflns_theta_max         66.495
_diffrn_reflns_theta_min         3.378
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 16.0450
_diffrn_detector_type            Eos
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Eos'
_diffrn_measurement_method       ?
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4285
_reflns_number_total             10550
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         1.230
_refine_diff_density_min         -0.804
_refine_diff_density_rms         0.079
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.953
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         10550
_refine_ls_number_restraints     978
_refine_ls_R_factor_all          0.1219
_refine_ls_R_factor_gt           0.0930
_refine_ls_restrained_S_all      1.153
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1617P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2668
_refine_ls_wR_factor_ref         0.2955
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All N(H,H) groups
 At 1.5 times of:
  All O(H) groups, All O(H,H) groups
2. Uiso/Uaniso restraints and constraints
All non-hydrogen atoms have similar U: within 3.8A with sigma of 0.01 and sigma
for terminal atoms of 0.02
3.a Riding coordinates:
 O7(H7A,H7B), O8(H8), O9(H9), N1(H1A,H1B)
3.b Aromatic/amide H refined with riding coordinates:
 C3(H3), C5(H5), C9(H9A), C10(H10), C12(H12), C13(H13), C16(H16), C17(H17),
 C19(H19), C20(H20), C23(H23), C24(H24), C26(H26), C27(H27)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.26208(2) 0.24477(2) 0.92070(4) 0.0475(3) Uani 1 1 d . U . . .
Cu2 Cu 0.0000 0.00824(14) 0.8182(4) 0.3425(17) Uani 1 2 d S TU P . .
O1 O 0.24120(5) 0.19483(10) 0.8947(2) 0.0736(8) Uani 1 1 d . U . . .
O2 O 0.22069(4) 0.20316(8) 1.0314(2) 0.0607(7) Uani 1 1 d . U . . .
O3 O 0.22035(4) -0.20400(8) 0.5022(2) 0.0634(7) Uani 1 1 d . U . . .
O4 O 0.24082(4) -0.21301(9) 0.63589(19) 0.0641(7) Uani 1 1 d . U . . .
O5 O 0.03213(13) 0.0020(3) 0.8405(7) 0.266(2) Uani 1 1 d . U . . .
O6 O 0.03750(13) -0.0481(3) 0.9563(8) 0.283(3) Uani 1 1 d . U . . .
O7 O 0.28160(4) 0.23007(9) 0.79470(19) 0.0706(8) Uani 1 1 d . U . . .
H7A H 0.2923 0.2493 0.7913 0.106 Uiso 1 1 d R . . . .
H7B H 0.2735 0.2324 0.7438 0.106 Uiso 1 1 d R . . . .
O8 O 0.0000 -0.0392(5) 0.6873(14) 0.372(6) Uani 1 2 d S TU P . .
H8 H -0.0108 -0.0570 0.6920 0.559 Uiso 1 1 d R . . . .
O9 O 0.0000 0.0467(5) 0.9330(11) 0.323(4) Uani 1 2 d S TU P . .
H9 H 0.0114 0.0423 0.9652 0.484 Uiso 1 1 d R . . . .
N1 N 0.13816(8) -0.09582(17) 0.7726(4) 0.1473(16) Uani 1 1 d . U . . .
H1A H 0.1452 -0.1196 0.7514 0.177 Uiso 1 1 d R . . . .
H1B H 0.1239 -0.0969 0.7813 0.177 Uiso 1 1 d R . . . .
C1 C 0.14970(8) -0.05568(16) 0.7941(4) 0.0922(11) Uani 1 1 d . U . . .
C2 C 0.17257(6) -0.05373(14) 0.7785(3) 0.0725(10) Uani 1 1 d . U . . .
C3 C 0.18392(7) -0.01541(13) 0.8097(3) 0.0712(10) Uani 1 1 d . U . . .
H3 H 0.1994 -0.0152 0.8032 0.085 Uiso 1 1 calc R . . . .
C4 C 0.17401(7) 0.02209(14) 0.8494(3) 0.0739(10) Uani 1 1 d . U . . .
C5 C 0.15126(8) 0.01911(17) 0.8632(4) 0.0995(12) Uani 1 1 d . U . . .
H5 H 0.1440 0.0441 0.8913 0.119 Uiso 1 1 calc R . . . .
C6 C 0.13867(9) -0.01843(18) 0.8379(4) 0.1113(13) Uani 1 1 d . U . . .
C7 C 0.22552(7) 0.18237(13) 0.9533(4) 0.0587(10) Uani 1 1 d . U . . .
C8 C 0.21244(7) 0.14197(14) 0.9265(3) 0.0630(10) Uani 1 1 d . U . . .
C9 C 0.19349(7) 0.12906(12) 0.9805(3) 0.0644(10) Uani 1 1 d . U . . .
H9A H 0.1890 0.1471 1.0332 0.077 Uiso 1 1 calc R . . . .
C10 C 0.18142(7) 0.09055(14) 0.9576(3) 0.0730(10) Uani 1 1 d . U . . .
H10 H 0.1694 0.0818 0.9968 0.088 Uiso 1 1 calc R . . . .
C11 C 0.18704(7) 0.06443(14) 0.8755(3) 0.0693(10) Uani 1 1 d . U . . .
C12 C 0.20463(8) 0.07803(15) 0.8229(4) 0.0886(12) Uani 1 1 d . U . . .
H12 H 0.2082 0.0612 0.7671 0.106 Uiso 1 1 calc R . . . .
C13 C 0.21779(6) 0.11528(14) 0.8459(3) 0.0756(11) Uani 1 1 d . U . . .
H13 H 0.2302 0.1225 0.8075 0.091 Uiso 1 1 calc R . . . .
C14 C 0.22467(7) -0.19543(13) 0.5911(3) 0.0508(9) Uani 1 1 d . U . . .
C15 C 0.21034(6) -0.16159(11) 0.6410(3) 0.0514(9) Uani 1 1 d . U . . .
C16 C 0.21632(6) -0.14461(12) 0.7305(3) 0.0568(9) Uani 1 1 d . U . . .
H16 H 0.2287 -0.1566 0.7629 0.068 Uiso 1 1 calc R . . . .
C17 C 0.20396(6) -0.10944(13) 0.7734(3) 0.0643(10) Uani 1 1 d . U . . .
H17 H 0.2087 -0.0972 0.8329 0.077 Uiso 1 1 calc R . . . .
C18 C 0.18550(6) -0.09274(12) 0.7315(3) 0.0559(9) Uani 1 1 d . U . . .
C19 C 0.17862(6) -0.11134(13) 0.6438(3) 0.0631(9) Uani 1 1 d . U . . .
H19 H 0.1656 -0.1007 0.6143 0.076 Uiso 1 1 calc R . . . .
C20 C 0.19076(7) -0.14535(14) 0.5994(3) 0.0675(10) Uani 1 1 d . U . . .
H20 H 0.1858 -0.1577 0.5404 0.081 Uiso 1 1 calc R . . . .
C21 C 0.0461(2) -0.0210(4) 0.8917(11) 0.233(2) Uani 1 1 d . U . . .
C22 C 0.06907(17) -0.0213(4) 0.8615(9) 0.203(2) Uani 1 1 d . U . . .
C23 C 0.07793(15) 0.0092(3) 0.8039(9) 0.1980(19) Uani 1 1 d . U . . .
H23 H 0.0690 0.0287 0.7669 0.238 Uiso 1 1 calc R . . . .
C24 C 0.10096(13) 0.0119(3) 0.7988(7) 0.1728(17) Uani 1 1 d . U . . .
H24 H 0.1076 0.0342 0.7597 0.207 Uiso 1 1 calc R . . . .
C25 C 0.11442(11) -0.0186(2) 0.8517(6) 0.1351(15) Uani 1 1 d . U . . .
C26 C 0.10436(12) -0.0488(3) 0.9141(6) 0.1629(17) Uani 1 1 d . U . . .
H26 H 0.1129 -0.0684 0.9529 0.196 Uiso 1 1 calc R . . . .
C27 C 0.08081(16) -0.0496(3) 0.9187(7) 0.1948(19) Uani 1 1 d . U . . .
H27 H 0.0735 -0.0697 0.9611 0.234 Uiso 1 1 calc R . . . .


_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 Cu1 2.6186(10) 13_557 ?
Cu1 O1 1.948(3) . ?
Cu1 O2 1.945(2) 13_557 ?
Cu1 O3 1.935(3) 6_545 ?
Cu1 O4 1.929(3) 10_567 ?
Cu1 O7 2.121(3) . ?
Cu2 O5 1.953(8) 11 ?
Cu2 O5 1.953(8) . ?
Cu2 O8 2.257(17) . ?
Cu2 O9 1.924(15) . ?
O1 C7 1.284(5) . ?
O2 Cu1 1.946(2) 13_557 ?
O2 C7 1.258(5) . ?
O3 Cu1 1.935(3) 6_544 ?
O3 C14 1.264(4) . ?
O4 Cu1 1.929(3) 10_557 ?
O4 C14 1.252(4) . ?
O5 C21 1.279(13) . ?
O6 C21 1.289(14) . ?
O7 H7A 0.8501 . ?
O7 H7B 0.8500 . ?
O8 H8 0.8328 . ?
O9 H9 0.8198 . ?
N1 H1A 0.8598 . ?
N1 H1B 0.8605 . ?
N1 C1 1.388(6) . ?
C1 C2 1.385(6) . ?
C1 C6 1.402(6) . ?
C2 C3 1.373(5) . ?
C2 C18 1.516(5) . ?
C3 H3 0.9300 . ?
C3 C4 1.355(5) . ?
C4 C5 1.376(6) . ?
C4 C11 1.501(6) . ?
C5 H5 0.9300 . ?
C5 C6 1.371(6) . ?
C6 C25 1.462(8) . ?
C7 C8 1.459(5) . ?
C8 C9 1.402(5) . ?
C8 C13 1.384(5) . ?
C9 H9A 0.9300 . ?
C9 C10 1.369(5) . ?
C10 H10 0.9300 . ?
C10 C11 1.393(6) . ?
C11 C12 1.333(6) . ?
C12 H12 0.9300 . ?
C12 C13 1.375(6) . ?
C13 H13 0.9300 . ?
C14 C15 1.472(5) . ?
C15 C16 1.364(5) . ?
C15 C20 1.384(5) . ?
C16 H16 0.9300 . ?
C16 C17 1.392(5) . ?
C17 H17 0.9300 . ?
C17 C18 1.334(5) . ?
C18 C19 1.376(5) . ?
C19 H19 0.9300 . ?
C19 C20 1.369(5) . ?
C20 H20 0.9300 . ?
C21 C22 1.432(14) . ?
C22 C23 1.297(12) . ?
C22 C27 1.334(12) . ?
C23 H23 0.9300 . ?
C23 C24 1.380(9) . ?
C24 H24 0.9300 . ?
C24 C25 1.398(9) . ?
C25 C26 1.363(9) . ?
C26 H26 0.9300 . ?
C26 C27 1.409(10) . ?
C27 H27 0.9300 . ?

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
O1 Cu1 Cu1 83.32(9) . 13_557 ?
O1 Cu1 O7 93.13(12) . . ?
O2 Cu1 Cu1 85.64(8) 13_557 13_557 ?
O2 Cu1 O1 168.94(12) 13_557 . ?
O2 Cu1 O7 97.93(11) 13_557 . ?
O3 Cu1 Cu1 84.05(9) 6_545 13_557 ?
O3 Cu1 O1 89.70(11) 6_545 . ?
O3 Cu1 O2 89.86(11) 6_545 13_557 ?
O3 Cu1 O7 92.48(11) 6_545 . ?
O4 Cu1 Cu1 83.85(9) 10_567 13_557 ?
O4 Cu1 O1 88.86(12) 10_567 . ?
O4 Cu1 O2 89.25(11) 10_567 13_557 ?
O4 Cu1 O3 167.90(11) 10_567 6_545 ?
O4 Cu1 O7 99.60(11) 10_567 . ?
O7 Cu1 Cu1 175.03(8) . 13_557 ?
O5 Cu2 O5 159.1(6) 11 . ?
O5 Cu2 O8 93.8(3) 11 . ?
O5 Cu2 O8 93.8(3) . . ?
O9 Cu2 O5 85.8(3) . 11 ?
O9 Cu2 O5 85.8(3) . . ?
O9 Cu2 O8 177.8(7) . . ?
C7 O1 Cu1 124.4(3) . . ?
C7 O2 Cu1 122.5(3) . 13_557 ?
C14 O3 Cu1 124.1(2) . 6_544 ?
C14 O4 Cu1 125.0(2) . 10_557 ?
C21 O5 Cu2 140.9(10) . . ?
Cu1 O7 H7A 109.0 . . ?
Cu1 O7 H7B 109.3 . . ?
H7A O7 H7B 109.5 . . ?
Cu2 O8 H8 108.6 . . ?
Cu2 O9 H9 110.1 . . ?
H1A N1 H1B 120.0 . . ?
C1 N1 H1A 120.5 . . ?
C1 N1 H1B 119.5 . . ?
N1 C1 C6 120.5(4) . . ?
C2 C1 N1 119.5(4) . . ?
C2 C1 C6 119.8(4) . . ?
C1 C2 C18 122.5(4) . . ?
C3 C2 C1 118.3(4) . . ?
C3 C2 C18 119.2(3) . . ?
C2 C3 H3 117.9 . . ?
C4 C3 C2 124.2(4) . . ?
C4 C3 H3 117.9 . . ?
C3 C4 C5 115.8(4) . . ?
C3 C4 C11 122.0(4) . . ?
C5 C4 C11 122.2(4) . . ?
C4 C5 H5 118.0 . . ?
C6 C5 C4 124.0(4) . . ?
C6 C5 H5 118.0 . . ?
C1 C6 C25 121.2(5) . . ?
C5 C6 C1 117.7(5) . . ?
C5 C6 C25 121.0(5) . . ?
O1 C7 C8 117.6(4) . . ?
O2 C7 O1 124.0(4) . . ?
O2 C7 C8 118.4(4) . . ?
C9 C8 C7 121.2(4) . . ?
C13 C8 C7 121.9(4) . . ?
C13 C8 C9 117.0(4) . . ?
C8 C9 H9A 119.2 . . ?
C10 C9 C8 121.7(4) . . ?
C10 C9 H9A 119.2 . . ?
C9 C10 H10 119.9 . . ?
C9 C10 C11 120.2(4) . . ?
C11 C10 H10 119.9 . . ?
C10 C11 C4 120.9(4) . . ?
C12 C11 C4 121.7(4) . . ?
C12 C11 C10 117.4(4) . . ?
C11 C12 H12 117.9 . . ?
C11 C12 C13 124.2(4) . . ?
C13 C12 H12 117.9 . . ?
C8 C13 H13 120.3 . . ?
C12 C13 C8 119.4(4) . . ?
C12 C13 H13 120.3 . . ?
O3 C14 C15 117.2(4) . . ?
O4 C14 O3 123.0(3) . . ?
O4 C14 C15 119.7(4) . . ?
C16 C15 C14 120.3(3) . . ?
C16 C15 C20 117.7(3) . . ?
C20 C15 C14 122.0(4) . . ?
C15 C16 H16 119.9 . . ?
C15 C16 C17 120.2(3) . . ?
C17 C16 H16 119.9 . . ?
C16 C17 H17 119.1 . . ?
C18 C17 C16 121.8(4) . . ?
C18 C17 H17 119.1 . . ?
C17 C18 C2 120.9(4) . . ?
C17 C18 C19 118.4(3) . . ?
C19 C18 C2 120.7(3) . . ?
C18 C19 H19 119.6 . . ?
C20 C19 C18 120.7(4) . . ?
C20 C19 H19 119.6 . . ?
C15 C20 H20 119.6 . . ?
C19 C20 C15 120.9(4) . . ?
C19 C20 H20 119.6 . . ?
O5 C21 O6 115.6(12) . . ?
O5 C21 C22 118.2(14) . . ?
O6 C21 C22 125.1(14) . . ?
C23 C22 C21 124.2(12) . . ?
C23 C22 C27 124.1(11) . . ?
C27 C22 C21 109.8(12) . . ?
C22 C23 H23 120.8 . . ?
C22 C23 C24 118.4(11) . . ?
C24 C23 H23 120.8 . . ?
C23 C24 H24 119.6 . . ?
C23 C24 C25 120.8(9) . . ?
C25 C24 H24 119.6 . . ?
C24 C25 C6 120.1(7) . . ?
C26 C25 C6 121.3(7) . . ?
C26 C25 C24 118.5(7) . . ?
C25 C26 H26 120.7 . . ?
C25 C26 C27 118.6(9) . . ?
C27 C26 H26 120.7 . . ?
C22 C27 C26 119.3(10) . . ?
C22 C27 H27 120.4 . . ?
C26 C27 H27 120.4 . . ?

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
Cu1 O1 C7 O2 5.6(5) . . . . ?
Cu1 O1 C7 C8 -175.2(2) . . . . ?
Cu1 O2 C7 O1 -4.5(5) 13_557 . . . ?
Cu1 O2 C7 C8 176.3(3) 13_557 . . . ?
Cu1 O3 C14 O4 -0.6(5) 6_544 . . . ?
Cu1 O3 C14 C15 176.6(2) 6_544 . . . ?
Cu1 O4 C14 O3 0.7(5) 10_557 . . . ?
Cu1 O4 C14 C15 -176.6(2) 10_557 . . . ?
Cu2 O5 C21 O6 -6(2) . . . . ?
Cu2 O5 C21 C22 163.0(9) . . . . ?
O1 C7 C8 C9 -172.8(4) . . . . ?
O1 C7 C8 C13 5.7(6) . . . . ?
O2 C7 C8 C9 6.5(6) . . . . ?
O2 C7 C8 C13 -175.0(4) . . . . ?
O3 C14 C15 C16 -168.3(3) . . . . ?
O3 C14 C15 C20 10.6(5) . . . . ?
O4 C14 C15 C16 9.1(5) . . . . ?
O4 C14 C15 C20 -172.0(4) . . . . ?
O5 C21 C22 C23 19.6(18) . . . . ?
O5 C21 C22 C27 -175.4(10) . . . . ?
O6 C21 C22 C23 -172.7(13) . . . . ?
O6 C21 C22 C27 -7.7(18) . . . . ?
N1 C1 C2 C3 -173.4(5) . . . . ?
N1 C1 C2 C18 4.7(7) . . . . ?
N1 C1 C6 C5 175.8(5) . . . . ?
N1 C1 C6 C25 -7.2(9) . . . . ?
C1 C2 C3 C4 -4.3(7) . . . . ?
C1 C2 C18 C17 -129.5(5) . . . . ?
C1 C2 C18 C19 51.5(6) . . . . ?
C1 C6 C25 C24 -112.3(7) . . . . ?
C1 C6 C25 C26 66.3(9) . . . . ?
C2 C1 C6 C5 0.5(8) . . . . ?
C2 C1 C6 C25 177.5(6) . . . . ?
C2 C3 C4 C5 3.8(7) . . . . ?
C2 C3 C4 C11 -175.4(4) . . . . ?
C2 C18 C19 C20 177.5(4) . . . . ?
C3 C2 C18 C17 48.6(6) . . . . ?
C3 C2 C18 C19 -130.5(4) . . . . ?
C3 C4 C5 C6 -1.1(8) . . . . ?
C3 C4 C11 C10 -144.7(5) . . . . ?
C3 C4 C11 C12 33.9(7) . . . . ?
C4 C5 C6 C1 -1.0(9) . . . . ?
C4 C5 C6 C25 -177.9(6) . . . . ?
C4 C11 C12 C13 -176.9(4) . . . . ?
C5 C4 C11 C10 36.1(7) . . . . ?
C5 C4 C11 C12 -145.3(5) . . . . ?
C5 C6 C25 C24 64.6(9) . . . . ?
C5 C6 C25 C26 -116.9(7) . . . . ?
C6 C1 C2 C3 2.0(7) . . . . ?
C6 C1 C2 C18 -180.0(5) . . . . ?
C6 C25 C26 C27 -175.3(6) . . . . ?
C7 C8 C9 C10 -178.3(4) . . . . ?
C7 C8 C13 C12 -178.8(4) . . . . ?
C8 C9 C10 C11 -3.7(6) . . . . ?
C9 C8 C13 C12 -0.2(6) . . . . ?
C9 C10 C11 C4 179.9(4) . . . . ?
C9 C10 C11 C12 1.2(6) . . . . ?
C10 C11 C12 C13 1.7(7) . . . . ?
C11 C4 C5 C6 178.2(5) . . . . ?
C11 C12 C13 C8 -2.2(7) . . . . ?
C13 C8 C9 C10 3.1(6) . . . . ?
C14 C15 C16 C17 173.8(3) . . . . ?
C14 C15 C20 C19 -175.0(3) . . . . ?
C15 C16 C17 C18 3.1(6) . . . . ?
C16 C15 C20 C19 4.0(6) . . . . ?
C16 C17 C18 C2 -178.7(3) . . . . ?
C16 C17 C18 C19 0.4(6) . . . . ?
C17 C18 C19 C20 -1.6(6) . . . . ?
C18 C2 C3 C4 177.6(4) . . . . ?
C18 C19 C20 C15 -0.6(6) . . . . ?
C20 C15 C16 C17 -5.2(5) . . . . ?
C21 C22 C23 C24 164.7(10) . . . . ?
C21 C22 C27 C26 -168.4(8) . . . . ?
C22 C23 C24 C25 2.4(14) . . . . ?
C23 C22 C27 C26 -3.3(17) . . . . ?
C23 C24 C25 C6 173.7(7) . . . . ?
C23 C24 C25 C26 -4.9(11) . . . . ?
C24 C25 C26 C27 3.3(11) . . . . ?
C25 C26 C27 C22 0.6(13) . . . . ?
C27 C22 C23 C24 1.8(17) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
