# Electronic Supplementary Material (ESI) for RSC Advances.
# 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_xb6799_0m
_database_code_depnum_ccdc_archive 'CCDC 963677'
_audit_update_record             
;
2013-09-28 deposited with the CCDC.
2016-09-27 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H16 Cu4 F12 N9 O9'
_chemical_formula_weight         1152.70

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'
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Triclinic
_symmetry_space_group_name_H-M   'P-1   '

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   8.134(4)
_cell_length_b                   13.499(7)
_cell_length_c                   18.020(9)
_cell_angle_alpha                91.257(9)
_cell_angle_beta                 90.449(9)
_cell_angle_gamma                98.596(9)
_cell_volume                     1955.7(17)
_cell_formula_units_Z            2
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    903
_cell_measurement_theta_min      2.26
_cell_measurement_theta_max      20.83

_exptl_crystal_description       flakiness
_exptl_crystal_colour            green
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.14
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.957
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1134
_exptl_absorpt_coefficient_mu    2.269
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.586
_exptl_absorpt_correction_T_max  0.728
_exptl_absorpt_process_details   sadabs

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      296(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  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            11001
_diffrn_reflns_av_R_equivalents  0.0611
_diffrn_reflns_av_sigmaI/netI    0.1829
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_theta_min         1.13
_diffrn_reflns_theta_max         26.89
_reflns_number_total             7970
_reflns_number_gt                3451
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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)+(0.1000P)²+1.5000P] 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         7970
_refine_ls_number_parameters     595
_refine_ls_number_restraints     10
_refine_ls_R_factor_all          0.1912
_refine_ls_R_factor_gt           0.0821
_refine_ls_wR_factor_ref         0.2489
_refine_ls_wR_factor_gt          0.1861
_refine_ls_goodness_of_fit_ref   0.996
_refine_ls_restrained_S_all      0.998
_refine_ls_shift/su_max          0.057
_refine_ls_shift/su_mean         0.002

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
Cu1 Cu 0.31099(12) 0.02792(7) 0.49013(6) 0.0327(3) Uani 1 1 d . . .
Cu2 Cu 0.27495(12) 0.26908(7) 0.47184(6) 0.0354(3) Uani 1 1 d . . .
Cu3 Cu 0.30975(13) 0.51586(7) 0.44914(6) 0.0406(3) Uani 1 1 d . . .
O9 O 0.4083(6) 0.1635(4) 0.4709(3) 0.0349(15) Uani 1 1 d . . .
O5 O 0.1725(7) 0.0635(4) 0.5684(3) 0.0411(16) Uani 1 1 d . . .
O7 O 0.3241(8) 0.5533(4) 0.5515(3) 0.0514(18) Uani 1 1 d . . .
N4 N 0.2156(8) -0.1136(5) 0.4978(4) 0.0356(18) Uani 1 1 d . . .
O1 O 0.4625(7) -0.0047(4) 0.4159(3) 0.0417(16) Uani 1 1 d . . .
O6 O 0.1848(7) 0.2286(4) 0.5682(3) 0.0432(16) Uani 1 1 d . . .
O3 O 0.3477(7) 0.2985(4) 0.3734(3) 0.0429(16) Uani 1 1 d . . .
N1 N 0.1712(8) 0.3908(5) 0.4774(4) 0.0396(19) Uani 1 1 d . . .
N5 N 0.1018(8) -0.1347(4) 0.5403(4) 0.0367(19) Uani 1 1 d . . .
N3 N -0.0309(9) 0.4114(6) 0.5682(4) 0.054(2) Uani 1 1 d . . .
O4 O 0.3317(8) 0.4631(4) 0.3517(3) 0.0477(18) Uani 1 1 d . . .
C2 C 0.5393(11) -0.0441(6) 0.2957(5) 0.041(2) Uani 1 1 d . . .
N2 N 0.0697(9) 0.4000(5) 0.5247(4) 0.042(2) Uani 1 1 d . . .
C9 C 0.3407(10) 0.3740(6) 0.3304(5) 0.038(2) Uani 1 1 d . . .
N6 N -0.0056(9) -0.1528(5) 0.5795(4) 0.049(2) Uani 1 1 d . . .
C26 C 0.0536(10) 0.1459(6) 0.6666(5) 0.039(2) Uani 1 1 d . . .
C17 C 0.2751(10) 0.6258(7) 0.5875(5) 0.046(3) Uani 1 1 d U . .
C18 C 0.2233(11) 0.6095(6) 0.6644(5) 0.042(2) Uani 1 1 d . . .
C25 C 0.1422(9) 0.1465(6) 0.5961(4) 0.030(2) Uani 1 1 d . . .
C24 C 0.2540(13) 0.5266(7) 0.6962(5) 0.059(3) Uani 1 1 d . . .
H12 H 0.3060 0.4811 0.6690 0.071 Uiso 1 1 calc R . .
C8 C 0.5971(14) 0.0637(7) 0.2792(5) 0.062(3) Uani 1 1 d . . .
H4 H 0.5853 0.1145 0.3135 0.074 Uiso 1 1 calc R . .
C11 C 0.3431(13) 0.2569(8) 0.2211(6) 0.067(3) Uani 1 1 d . . .
H5 H 0.3269 0.2021 0.2520 0.080 Uiso 1 1 calc R . .
C19 C 0.1411(12) 0.6763(6) 0.7037(5) 0.050(3) Uani 1 1 d . . .
H9 H 0.1126 0.7317 0.6796 0.061 Uiso 1 1 calc R . .
C10 C 0.3516(11) 0.3566(6) 0.2502(5) 0.044(3) Uani 1 1 d . . .
C20 C 0.1015(13) 0.6636(8) 0.7750(6) 0.067(3) Uani 1 1 d . . .
H10 H 0.0532 0.7120 0.8009 0.081 Uiso 1 1 calc R . .
C16 C 0.3575(13) 0.4272(7) 0.2015(5) 0.059(3) Uani 1 1 d . . .
H8 H 0.3524 0.4918 0.2195 0.070 Uiso 1 1 calc R . .
O8 O 0.2649(7) 0.7111(4) 0.5575(3) 0.0418(16) Uani 1 1 d U . .
F9 F 0.0270(12) 0.6248(7) 0.9223(4) 0.141(4) Uani 1 1 d . . .
F11 F -0.2768(10) 0.0539(7) 0.8919(4) 0.132(3) Uani 1 1 d U . .
F12 F -0.2847(11) 0.2218(7) 0.8793(5) 0.161(4) Uani 1 1 d . . .
C15 C 0.3704(13) 0.4145(8) 0.1261(6) 0.066(3) Uani 1 1 d . . .
H7 H 0.3800 0.4687 0.0946 0.079 Uiso 1 1 calc R . .
C21 C 0.1332(12) 0.5769(8) 0.8108(6) 0.063(3) Uani 1 1 d . . .
C23 C 0.2092(13) 0.5054(8) 0.7714(6) 0.073(4) Uani 1 1 d . . .
H11 H 0.2295 0.4466 0.7933 0.087 Uiso 1 1 calc R . .
C4 C 0.6429(13) -0.0784(7) 0.1728(5) 0.064(3) Uani 1 1 d . . .
H2 H 0.6567 -0.1243 0.1350 0.077 Uiso 1 1 calc R . .
C5 C 0.6910(14) 0.0151(7) 0.1617(6) 0.067(3) Uani 1 1 d . . .
C27 C 0.0309(13) 0.2340(7) 0.7017(5) 0.062(3) Uani 1 1 d . . .
H13 H 0.0696 0.2946 0.6797 0.074 Uiso 1 1 calc R . .
C32 C -0.0067(12) 0.0596(7) 0.6978(5) 0.058(3) Uani 1 1 d . . .
H16 H 0.0046 -0.0010 0.6743 0.070 Uiso 1 1 calc R . .
C29 C -0.1055(13) 0.1527(9) 0.7995(6) 0.068(3) Uani 1 1 d . . .
C28 C -0.0471(14) 0.2341(7) 0.7683(6) 0.069(3) Uani 1 1 d . . .
H14 H -0.0581 0.2950 0.7915 0.083 Uiso 1 1 calc R . .
C31 C -0.0836(14) 0.0608(8) 0.7630(7) 0.081(4) Uani 1 1 d . . .
H15 H -0.1236 0.0005 0.7850 0.097 Uiso 1 1 calc R . .
C13 C 0.3687(13) 0.3162(9) 0.0983(6) 0.067(3) Uani 1 1 d . . .
C6 C 0.776(2) 0.0528(12) 0.0886(7) 0.121(6) Uani 1 1 d . . .
C14 C 0.390(2) 0.3004(11) 0.0162(6) 0.113(5) Uani 1 1 d U . .
F6 F 0.7998(17) -0.0154(7) 0.0469(5) 0.215(5) Uani 1 1 d . . .
F1 F 0.449(2) 0.3833(8) -0.0207(4) 0.228(7) Uani 1 1 d U . .
F5 F 0.9166(15) 0.1016(9) 0.1003(5) 0.222(6) Uani 1 1 d . . .
F4 F 0.7024(15) 0.1154(8) 0.0578(5) 0.215(5) Uani 1 1 d . . .
F3 F 0.4573(16) 0.2261(10) 0.0006(5) 0.261(6) Uani 1 1 d U . .
F2 F 0.2503(15) 0.2714(13) -0.0129(5) 0.287(9) Uani 1 1 d . . .
C7 C 0.6642(16) 0.0832(7) 0.2153(6) 0.085(4) Uani 1 1 d . . .
H3 H 0.6974 0.1504 0.2050 0.102 Uiso 1 1 calc R . .
C12 C 0.3602(17) 0.2443(9) 0.1430(7) 0.094(5) Uani 1 1 d . . .
H6 H 0.3653 0.1803 0.1238 0.112 Uiso 1 1 calc R . .
F7 F -0.0244(12) 0.4771(6) 0.8961(5) 0.148(4) Uani 1 1 d . . .
F8 F 0.2116(12) 0.5304(9) 0.9283(4) 0.174(4) Uani 1 1 d . . .
C22 C 0.0948(18) 0.5548(12) 0.8898(7) 0.107(5) Uani 1 1 d . . .
C30 C -0.1826(18) 0.1525(14) 0.8736(7) 0.119(6) Uani 1 1 d U . .
F10 F -0.0697(11) 0.1657(10) 0.9274(4) 0.189(6) Uani 1 1 d . . .
Cu4 Cu 0.34112(13) 0.77280(7) 0.46585(6) 0.0372(3) Uani 1 1 d . . .
N8 N 0.4756(10) 0.6558(5) 0.3590(5) 0.060(2) Uani 1 1 d U . .
N7 N 0.4216(9) 0.6481(5) 0.4251(4) 0.052(2) Uani 1 1 d . . .
N9 N 0.5326(14) 0.6628(6) 0.2985(6) 0.095(4) Uani 1 1 d . . .
O2 O 0.4063(7) -0.1616(4) 0.3738(3) 0.0424(16) Uani 1 1 d . . .
C1 C 0.4634(11) -0.0725(6) 0.3656(4) 0.037(2) Uani 1 1 d . . .
C3 C 0.5661(13) -0.1167(8) 0.2434(6) 0.064(3) Uani 1 1 d . . .
H1 H 0.5381 -0.1848 0.2519 0.077 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 O5 1.909(5) . ?
Cu1 O1 1.915(6) . ?
Cu1 O9 1.923(5) . ?
Cu1 N4 1.959(6) . ?
Cu2 O3 1.906(6) . ?
Cu2 O9 1.916(5) . ?
Cu2 O6 1.947(6) . ?
Cu2 N1 1.958(7) . ?
Cu3 O4 1.899(6) . ?
Cu3 O7 1.900(6) . ?
Cu3 N7 1.938(7) . ?
Cu3 N1 1.964(6) . ?
O9 Cu4 2.364(5) 2_666 ?
O5 C25 1.275(9) . ?
O7 C17 1.277(10) . ?
N4 N5 1.210(9) . ?
N4 Cu4 2.041(6) 1_545 ?
O1 C1 1.275(9) . ?
O6 C25 1.230(9) . ?
O3 C9 1.302(10) . ?
N1 N2 1.208(9) . ?
N5 N6 1.130(9) . ?
N3 N2 1.162(10) . ?
O4 C9 1.268(10) . ?
C2 C3 1.387(12) . ?
C2 C1 1.441(11) . ?
C2 C8 1.497(12) . ?
C9 C10 1.464(12) . ?
C26 C32 1.333(12) . ?
C26 C27 1.372(12) . ?
C26 C25 1.464(11) . ?
C17 O8 1.297(10) . ?
C17 C18 1.462(12) . ?
C18 C24 1.324(12) . ?
C18 C19 1.387(12) . ?
C24 C23 1.429(14) . ?
C24 H12 0.9300 . ?
C8 C7 1.294(13) . ?
C8 H4 0.9300 . ?
C11 C10 1.425(12) . ?
C11 C12 1.425(15) . ?
C11 H5 0.9300 . ?
C19 C20 1.336(13) . ?
C19 H9 0.9300 . ?
C10 C16 1.306(12) . ?
C20 C21 1.405(14) . ?
C20 H10 0.9300 . ?
C16 C15 1.373(13) . ?
C16 H8 0.9300 . ?
O8 Cu4 1.930(5) . ?
F9 C22 1.294(16) . ?
F11 C30 1.479(18) . ?
F12 C30 1.342(19) . ?
C15 C13 1.406(15) . ?
C15 H7 0.9300 . ?
C21 C23 1.404(15) . ?
C21 C22 1.488(15) . ?
C23 H11 0.9300 . ?
C4 C5 1.284(13) . ?
C4 C3 1.491(13) . ?
C4 H2 0.9300 . ?
C5 C7 1.361(14) . ?
C5 C6 1.552(15) . ?
C27 C28 1.361(13) . ?
C27 H13 0.9300 . ?
C32 C31 1.337(14) . ?
C32 H16 0.9300 . ?
C29 C28 1.276(14) . ?
C29 C31 1.426(15) . ?
C29 C30 1.479(16) . ?
C28 H14 0.9300 . ?
C31 H15 0.9300 . ?
C13 C12 1.269(15) . ?
C13 C14 1.504(15) . ?
C6 F6 1.216(16) . ?
C6 F4 1.243(18) . ?
C6 F5 1.246(18) . ?
C14 F3 1.240(17) . ?
C14 F2 1.254(17) . ?
C14 F1 1.343(16) . ?
C7 H3 0.9300 . ?
C12 H6 0.9300 . ?
F7 C22 1.325(16) . ?
F8 C22 1.259(16) . ?
C30 F10 1.321(15) . ?
Cu4 O2 1.937(6) 1_565 ?
Cu4 N7 2.021(7) . ?
Cu4 N4 2.041(6) 1_565 ?
Cu4 O9 2.364(5) 2_666 ?
N8 N9 1.188(12) . ?
N8 N7 1.274(11) . ?
O2 C1 1.235(9) . ?
O2 Cu4 1.937(6) 1_545 ?
C3 H1 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
O5 Cu1 O1 176.2(2) . . ?
O5 Cu1 O9 94.9(2) . . ?
O1 Cu1 O9 83.6(2) . . ?
O5 Cu1 N4 90.7(2) . . ?
O1 Cu1 N4 91.0(2) . . ?
O9 Cu1 N4 173.5(3) . . ?
O3 Cu2 O9 88.0(2) . . ?
O3 Cu2 O6 174.4(2) . . ?
O9 Cu2 O6 91.2(2) . . ?
O3 Cu2 N1 91.1(3) . . ?
O9 Cu2 N1 170.9(3) . . ?
O6 Cu2 N1 90.6(3) . . ?
O4 Cu3 O7 168.1(3) . . ?
O4 Cu3 N7 93.5(3) . . ?
O7 Cu3 N7 89.5(3) . . ?
O4 Cu3 N1 90.6(3) . . ?
O7 Cu3 N1 87.7(3) . . ?
N7 Cu3 N1 172.3(3) . . ?
Cu2 O9 Cu1 120.7(3) . . ?
Cu2 O9 Cu4 106.5(2) . 2_666 ?
Cu1 O9 Cu4 117.4(2) . 2_666 ?
C25 O5 Cu1 134.1(5) . . ?
C17 O7 Cu3 131.8(6) . . ?
N5 N4 Cu1 117.9(5) . . ?
N5 N4 Cu4 116.5(5) . 1_545 ?
Cu1 N4 Cu4 122.5(3) . 1_545 ?
C1 O1 Cu1 136.4(5) . . ?
C25 O6 Cu2 133.1(5) . . ?
C9 O3 Cu2 133.5(5) . . ?
N2 N1 Cu2 119.9(5) . . ?
N2 N1 Cu3 115.1(5) . . ?
Cu2 N1 Cu3 116.5(3) . . ?
N6 N5 N4 178.6(8) . . ?
C9 O4 Cu3 129.6(5) . . ?
C3 C2 C1 120.4(8) . . ?
C3 C2 C8 118.6(8) . . ?
C1 C2 C8 121.0(7) . . ?
N3 N2 N1 177.2(9) . . ?
O4 C9 O3 125.8(8) . . ?
O4 C9 C10 116.4(8) . . ?
O3 C9 C10 117.7(8) . . ?
C32 C26 C27 118.7(8) . . ?
C32 C26 C25 120.5(8) . . ?
C27 C26 C25 120.8(7) . . ?
O7 C17 O8 122.2(8) . . ?
O7 C17 C18 118.1(8) . . ?
O8 C17 C18 119.6(8) . . ?
C24 C18 C19 119.6(8) . . ?
C24 C18 C17 118.1(8) . . ?
C19 C18 C17 122.3(8) . . ?
O6 C25 O5 124.4(7) . . ?
O6 C25 C26 116.9(7) . . ?
O5 C25 C26 118.7(7) . . ?
C18 C24 C23 121.7(9) . . ?
C18 C24 H12 119.2 . . ?
C23 C24 H12 119.2 . . ?
C7 C8 C2 117.4(9) . . ?
C7 C8 H4 121.3 . . ?
C2 C8 H4 121.3 . . ?
C10 C11 C12 117.5(9) . . ?
C10 C11 H5 121.2 . . ?
C12 C11 H5 121.2 . . ?
C20 C19 C18 122.1(9) . . ?
C20 C19 H9 119.0 . . ?
C18 C19 H9 119.0 . . ?
C16 C10 C11 116.3(9) . . ?
C16 C10 C9 123.8(9) . . ?
C11 C10 C9 119.8(8) . . ?
C19 C20 C21 119.7(10) . . ?
C19 C20 H10 120.2 . . ?
C21 C20 H10 120.2 . . ?
C10 C16 C15 125.7(10) . . ?
C10 C16 H8 117.2 . . ?
C15 C16 H8 117.2 . . ?
C17 O8 Cu4 134.6(6) . . ?
C16 C15 C13 117.4(10) . . ?
C16 C15 H7 121.3 . . ?
C13 C15 H7 121.3 . . ?
C23 C21 C20 119.5(10) . . ?
C23 C21 C22 116.0(11) . . ?
C20 C21 C22 124.5(11) . . ?
C21 C23 C24 117.3(10) . . ?
C21 C23 H11 121.4 . . ?
C24 C23 H11 121.4 . . ?
C5 C4 C3 123.1(9) . . ?
C5 C4 H2 118.4 . . ?
C3 C4 H2 118.4 . . ?
C4 C5 C7 118.9(10) . . ?
C4 C5 C6 122.2(11) . . ?
C7 C5 C6 119.0(10) . . ?
C28 C27 C26 121.1(8) . . ?
C28 C27 H13 119.4 . . ?
C26 C27 H13 119.4 . . ?
C26 C32 C31 119.6(10) . . ?
C26 C32 H16 120.2 . . ?
C31 C32 H16 120.2 . . ?
C28 C29 C31 117.7(10) . . ?
C28 C29 C30 121.6(12) . . ?
C31 C29 C30 120.6(12) . . ?
C29 C28 C27 121.5(10) . . ?
C29 C28 H14 119.3 . . ?
C27 C28 H14 119.3 . . ?
C32 C31 C29 121.4(10) . . ?
C32 C31 H15 119.3 . . ?
C29 C31 H15 119.3 . . ?
C12 C13 C15 119.6(10) . . ?
C12 C13 C14 121.7(12) . . ?
C15 C13 C14 118.5(10) . . ?
F6 C6 F4 112.7(13) . . ?
F6 C6 F5 104.6(14) . . ?
F4 C6 F5 101.9(14) . . ?
F6 C6 C5 112.6(13) . . ?
F4 C6 C5 112.4(13) . . ?
F5 C6 C5 112.0(12) . . ?
F3 C14 F2 98.6(13) . . ?
F3 C14 F1 114.9(14) . . ?
F2 C14 F1 104.1(14) . . ?
F3 C14 C13 113.5(12) . . ?
F2 C14 C13 108.7(13) . . ?
F1 C14 C13 115.0(11) . . ?
C8 C7 C5 126.4(10) . . ?
C8 C7 H3 116.8 . . ?
C5 C7 H3 116.8 . . ?
C13 C12 C11 123.2(11) . . ?
C13 C12 H6 118.4 . . ?
C11 C12 H6 118.4 . . ?
F8 C22 F9 111.8(13) . . ?
F8 C22 F7 103.0(12) . . ?
F9 C22 F7 100.9(11) . . ?
F8 C22 C21 116.0(11) . . ?
F9 C22 C21 112.1(12) . . ?
F7 C22 C21 111.8(12) . . ?
F10 C30 F12 110.4(13) . . ?
F10 C30 F11 101.4(13) . . ?
F12 C30 F11 108.6(11) . . ?
F10 C30 C29 111.8(12) . . ?
F12 C30 C29 111.4(13) . . ?
F11 C30 C29 112.8(11) . . ?
O8 Cu4 O2 176.7(3) . 1_565 ?
O8 Cu4 N7 93.7(3) . . ?
O2 Cu4 N7 88.8(3) 1_565 . ?
O8 Cu4 N4 85.7(2) . 1_565 ?
O2 Cu4 N4 91.4(3) 1_565 1_565 ?
N7 Cu4 N4 168.6(3) . 1_565 ?
O8 Cu4 O9 87.4(2) . 2_666 ?
O2 Cu4 O9 94.5(2) 1_565 2_666 ?
N7 Cu4 O9 95.5(3) . 2_666 ?
N4 Cu4 O9 95.8(2) 1_565 2_666 ?
N9 N8 N7 177.2(10) . . ?
N8 N7 Cu3 114.6(5) . . ?
N8 N7 Cu4 114.1(6) . . ?
Cu3 N7 Cu4 121.0(4) . . ?
C1 O2 Cu4 127.4(5) . 1_545 ?
O2 C1 O1 123.8(8) . . ?
O2 C1 C2 118.1(7) . . ?
O1 C1 C2 118.1(7) . . ?
C2 C3 C4 115.6(9) . . ?
C2 C3 H1 122.2 . . ?
C4 C3 H1 122.2 . . ?

_diffrn_measured_fraction_theta_max 0.944
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.061
_refine_diff_density_min         -1.219
_refine_diff_density_rms         0.250
