# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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_23ma40
_database_code_depnum_ccdc_archive 'CCDC 2281743'
loop_
_audit_author_name
_audit_author_address
'Ilya Yakushev'
;Kurnakov Institute of general and inorganic chemistry, RAS
Russia
;
_audit_update_record             
;
2023-07-15 deposited with the CCDC.	2024-01-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H22 Co F12 N2 O8'
_chemical_formula_sum            'C30 H22 Co F12 N2 O8'
_chemical_formula_weight         825.42

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'
Co Co 0.3494 0.9721 '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'
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                   9.844(8)
_cell_length_b                   13.503(11)
_cell_length_c                   13.649(12)
_cell_angle_alpha                84.326(18)
_cell_angle_beta                 88.743(19)
_cell_angle_gamma                77.783(16)
_cell_volume                     1764(3)
_cell_formula_units_Z            2
_cell_measurement_temperature    250(2)
_cell_measurement_reflns_used    3252
_cell_measurement_theta_min      2.35
_cell_measurement_theta_max      24.50

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_F_000             830
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    0.599
_shelx_estimated_absorpt_T_min   0.910
_shelx_estimated_absorpt_T_max   0.959
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.6726
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_process_details   'SADABS (Bruker, 2016)'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      250(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            19832
_diffrn_reflns_av_unetI/netI     0.0409
_diffrn_reflns_av_R_equivalents  0.0219
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         2.117
_diffrn_reflns_theta_max         30.503
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.968
_diffrn_measured_fraction_theta_full 0.992
_diffrn_reflns_Laue_measured_fraction_max 0.968
_diffrn_reflns_Laue_measured_fraction_full 0.992
_diffrn_reflns_point_group_measured_fraction_max 0.968
_diffrn_reflns_point_group_measured_fraction_full 0.992
_reflns_number_total             10424
_reflns_number_gt                6753
_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       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0593P)²+0.4973P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         10424
_refine_ls_number_parameters     621
_refine_ls_number_restraints     545
_refine_ls_R_factor_all          0.0876
_refine_ls_R_factor_gt           0.0520
_refine_ls_wR_factor_ref         0.1423
_refine_ls_wR_factor_gt          0.1248
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_restrained_S_all      1.154
_refine_ls_shift/su_max          0.001
_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
Co1 Co 0.56256(3) 0.64245(2) 0.19446(2) 0.04825(11) Uani 1 1 d . . . . .
F1 F 0.1610(5) 0.9240(4) 0.0050(4) 0.1073(19) Uani 0.533(6) 1 d D U P A 1
F1' F 0.2371(12) 0.8394(8) -0.0668(6) 0.168(6) Uani 0.467(6) 1 d D U P A 2
F2 F 0.1085(7) 0.7943(6) 0.0797(7) 0.136(4) Uani 0.533(6) 1 d D U P A 1
F2' F 0.1823(5) 0.7085(4) -0.0013(4) 0.0954(19) Uani 0.467(6) 1 d D U P A 2
F3 F 0.2273(7) 0.7866(8) -0.0557(6) 0.157(4) Uani 0.533(6) 1 d D U P A 1
F3' F 0.1044(9) 0.8438(10) 0.0622(8) 0.170(5) Uani 0.467(6) 1 d D U P A 2
F4 F 0.4956(13) 1.0497(6) 0.1359(9) 0.143(4) Uani 0.56(2) 1 d D U P B 3
F4' F 0.435(3) 1.0521(10) 0.179(2) 0.209(9) Uani 0.44(2) 1 d D U P B 4
F5 F 0.6911(8) 0.9654(7) 0.1710(9) 0.121(3) Uani 0.56(2) 1 d D U P B 3
F5' F 0.639(3) 0.9844(15) 0.1349(13) 0.188(6) Uani 0.44(2) 1 d D U P B 4
F6 F 0.5373(15) 0.9799(8) 0.2851(6) 0.139(4) Uani 0.56(2) 1 d D U P B 3
F6' F 0.5790(15) 0.9739(10) 0.2823(9) 0.131(5) Uani 0.44(2) 1 d D U P B 4
F7 F 0.7321(9) 0.7426(6) -0.1037(5) 0.156(3) Uani 0.530(6) 1 d D U P C 5
F7' F 0.7735(9) 0.6624(9) -0.1205(4) 0.150(3) Uani 0.470(6) 1 d D U P C 6
F8 F 0.8203(6) 0.5709(6) -0.1029(4) 0.150(3) Uani 0.530(6) 1 d D U P C 5
F8' F 0.8538(11) 0.7779(7) -0.0642(5) 0.173(3) Uani 0.470(6) 1 d D U P C 6
F9 F 0.9514(8) 0.6879(8) -0.0740(5) 0.164(3) Uani 0.530(6) 1 d D U P C 5
F9' F 0.9794(7) 0.6106(6) -0.0707(5) 0.123(2) Uani 0.470(6) 1 d D U P C 6
F10 F 1.0584(8) 0.6590(5) 0.2893(6) 0.116(3) Uani 0.584(9) 1 d D U P D 7
F10' F 1.0883(8) 0.6301(9) 0.2549(6) 0.098(3) Uani 0.416(9) 1 d D U P D 8
F11 F 1.0827(7) 0.5021(5) 0.2758(5) 0.106(2) Uani 0.584(9) 1 d D U P D 7
F11' F 1.0335(12) 0.4976(6) 0.3143(10) 0.131(4) Uani 0.416(9) 1 d D U P D 8
F12 F 0.9581(4) 0.5608(6) 0.3896(2) 0.0876(17) Uani 0.584(9) 1 d D U P D 7
F12' F 0.9477(6) 0.6428(10) 0.3705(6) 0.114(3) Uani 0.416(9) 1 d D U P D 8
O1 O 0.38837(18) 0.69708(16) 0.11202(13) 0.0675(5) Uani 1 1 d . . . . .
O2 O 0.58196(18) 0.79070(13) 0.20879(13) 0.0613(4) Uani 1 1 d . . . . .
O3 O 0.67032(18) 0.63591(16) 0.06263(12) 0.0673(5) Uani 1 1 d . . . . .
O4 O 0.75557(16) 0.58988(12) 0.26277(11) 0.0513(4) Uani 1 1 d . . . . .
O5 O 0.52640(17) 0.48355(12) 0.19778(11) 0.0533(4) Uani 1 1 d . . . . .
O6 O 0.46065(16) 0.62329(11) 0.32322(11) 0.0497(4) Uani 1 1 d . . . . .
O7 O 0.3830(3) 0.16942(14) 0.37546(18) 0.0939(7) Uani 1 1 d . . . . .
O8 O 0.3170(2) 0.21526(14) 0.52022(15) 0.0710(5) Uani 1 1 d . . . . .
N1 N 0.3566(2) 0.23473(15) 0.43520(18) 0.0588(5) Uani 1 1 d . . . . .
N2 N 0.23543(17) 0.87160(13) 0.53340(13) 0.0449(4) Uani 1 1 d . . . . .
C1 C 0.3425(3) 0.7906(3) 0.08716(18) 0.0671(7) Uani 1 1 d . . . . .
C2 C 0.2089(11) 0.8266(8) 0.0293(8) 0.076(2) Uani 0.533(6) 1 d D U P A 1
C2' C 0.2143(14) 0.7931(8) 0.0170(8) 0.080(3) Uani 0.467(6) 1 d D U P A 2
C3 C 0.3918(3) 0.8766(2) 0.1100(2) 0.0736(8) Uani 1 1 d . . . . .
H3 H 0.344545 0.941460 0.083894 0.088 Uiso 1 1 calc R U . . .
C4 C 0.5065(3) 0.8694(2) 0.16907(19) 0.0621(6) Uani 1 1 d D . . . .
C5 C 0.5589(12) 0.9672(6) 0.1909(8) 0.087(3) Uani 0.56(2) 1 d D U P B 3
C5' C 0.5346(18) 0.9730(10) 0.1929(11) 0.096(4) Uani 0.44(2) 1 d D U P B 4
C6 C 0.7934(3) 0.6450(3) 0.05265(18) 0.0811(9) Uani 1 1 d D . . . .
C7 C 0.8290(9) 0.6563(8) -0.0614(7) 0.119(3) Uani 0.530(6) 1 d D U P C 5
C7' C 0.8450(10) 0.6841(8) -0.0530(8) 0.112(3) Uani 0.470(6) 1 d D U P C 6
C8 C 0.8917(3) 0.6347(3) 0.12408(19) 0.0839(10) Uani 1 1 d . . . . .
H8 H 0.979457 0.647754 0.106261 0.101 Uiso 1 1 calc R U . . .
C9 C 0.8661(2) 0.60529(18) 0.22364(16) 0.0509(5) Uani 1 1 d . . . . .
C10 C 0.9884(3) 0.5880(2) 0.29381(19) 0.0613(6) Uani 1 1 d D U . . .
C11 C 0.5402(3) 0.4196(2) 0.11745(16) 0.0615(6) Uani 1 1 d . . . . .
H11A H 0.448736 0.413372 0.097235 0.092 Uiso 1 1 calc R U . . .
H11B H 0.594805 0.352637 0.138967 0.092 Uiso 1 1 calc R U . . .
H11C H 0.586246 0.449847 0.062360 0.092 Uiso 1 1 calc R U . . .
C12 C 0.4613(2) 0.45359(16) 0.28462(15) 0.0429(4) Uani 1 1 d . . . . .
C13 C 0.42627(19) 0.53598(15) 0.34851(14) 0.0405(4) Uani 1 1 d . . . . .
C14 C 0.35228(19) 0.51572(15) 0.43876(14) 0.0396(4) Uani 1 1 d . . . . .
C15 C 0.33228(19) 0.41500(16) 0.46608(15) 0.0431(4) Uani 1 1 d . . . . .
H15 H 0.290355 0.399984 0.526717 0.052 Uiso 1 1 calc R U . . .
C16 C 0.3743(2) 0.33930(16) 0.40376(16) 0.0450(5) Uani 1 1 d . . . . .
C17 C 0.4357(2) 0.35798(16) 0.30983(16) 0.0461(5) Uani 1 1 d . . . . .
H17 H 0.457960 0.306747 0.266710 0.055 Uiso 1 1 calc R U . . .
C18 C 0.2923(2) 0.59539(16) 0.50139(14) 0.0419(4) Uani 1 1 d . . . . .
H18 H 0.244640 0.575045 0.557701 0.050 Uiso 1 1 calc R U . . .
C19 C 0.2975(2) 0.69735(16) 0.48760(15) 0.0432(4) Uani 1 1 d . . . . .
H19 H 0.354374 0.717963 0.436738 0.052 Uiso 1 1 calc R U . . .
C20 C 0.22175(19) 0.77402(15) 0.54578(14) 0.0387(4) Uani 1 1 d . . . . .
C21 C 0.3310(3) 0.9162(2) 0.4645(2) 0.0668(7) Uani 1 1 d . . . . .
H21A H 0.398041 0.861915 0.438087 0.100 Uiso 1 1 calc R U . . .
H21B H 0.379387 0.957445 0.499575 0.100 Uiso 1 1 calc R U . . .
H21C H 0.277649 0.958400 0.411008 0.100 Uiso 1 1 calc R U . . .
C22 C 0.1115(2) 0.76253(15) 0.62573(14) 0.0400(4) Uani 1 1 d . . . . .
C23 C -0.0086(2) 0.72045(17) 0.58676(18) 0.0523(5) Uani 1 1 d . . . . .
H23A H -0.046738 0.762087 0.527706 0.079 Uiso 1 1 calc R U . . .
H23B H -0.080685 0.721880 0.636552 0.079 Uiso 1 1 calc R U . . .
H23C H 0.025916 0.650923 0.571512 0.079 Uiso 1 1 calc R U . . .
C24 C 0.1764(2) 0.69590(18) 0.71864(16) 0.0543(5) Uani 1 1 d . . . . .
H24A H 0.214690 0.627334 0.702008 0.081 Uiso 1 1 calc R U . . .
H24B H 0.105466 0.694064 0.768823 0.081 Uiso 1 1 calc R U . . .
H24C H 0.249893 0.724538 0.743365 0.081 Uiso 1 1 calc R U . . .
C25 C 0.0644(2) 0.87308(17) 0.64985(16) 0.0479(5) Uani 1 1 d . . . . .
C26 C 0.1422(2) 0.93458(16) 0.59541(17) 0.0482(5) Uani 1 1 d . . . . .
C27 C 0.1272(3) 1.03911(19) 0.6036(2) 0.0675(7) Uani 1 1 d . . . . .
H27 H 0.182034 1.078509 0.566784 0.081 Uiso 1 1 calc R U . . .
C28 C 0.0263(4) 1.0812(2) 0.6697(3) 0.0874(10) Uani 1 1 d . . . . .
H28 H 0.011965 1.150962 0.677702 0.105 Uiso 1 1 calc R U . . .
C29 C -0.0540(4) 1.0213(2) 0.7244(3) 0.0895(10) Uani 1 1 d . . . . .
H29 H -0.121639 1.051862 0.768056 0.107 Uiso 1 1 calc R U . . .
C30 C -0.0357(3) 0.9164(2) 0.7155(2) 0.0704(7) Uani 1 1 d . . . . .
H30 H -0.089563 0.876645 0.752809 0.084 Uiso 1 1 calc R U . . .


_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
Co1 O6 2.026(2) . ?
Co1 O1 2.034(2) . ?
Co1 O3 2.069(2) . ?
Co1 O2 2.079(2) . ?
Co1 O4 2.088(2) . ?
Co1 O5 2.244(2) . ?
F1 C2 1.312(10) . ?
F1' C2' 1.287(11) . ?
F2 C2 1.316(9) . ?
F2' C2' 1.296(11) . ?
F3 C2 1.320(9) . ?
F3' C2' 1.327(11) . ?
F4 C5 1.325(9) . ?
F4' C5' 1.288(12) . ?
F5 C5 1.320(10) . ?
F5' C5' 1.305(12) . ?
F6 C5 1.320(10) . ?
F6' C5' 1.307(12) . ?
F7 C7 1.421(11) . ?
F7' C7' 1.265(11) . ?
F8 C7 1.353(10) . ?
F8' C7' 1.282(10) . ?
F9 C7 1.363(10) . ?
F9' C7' 1.507(11) . ?
F10 C10 1.289(6) . ?
F10' C10 1.314(7) . ?
F11 C10 1.364(6) . ?
F11' C10 1.214(7) . ?
F12 C10 1.367(4) . ?
F12' C10 1.346(6) . ?
O1 C1 1.262(4) . ?
O2 C4 1.243(3) . ?
O3 C6 1.246(3) . ?
O4 C9 1.250(3) . ?
O5 C12 1.400(3) . ?
O5 C11 1.448(3) . ?
O6 C13 1.306(3) . ?
O7 N1 1.243(3) . ?
O8 N1 1.237(3) . ?
N1 C16 1.480(3) . ?
N2 C20 1.347(3) . ?
N2 C26 1.435(3) . ?
N2 C21 1.490(3) . ?
C1 C3 1.413(4) . ?
C1 C2 1.513(13) . ?
C1 C2' 1.593(13) . ?
C3 C4 1.384(4) . ?
C3 H3 0.9400 . ?
C4 C5' 1.548(12) . ?
C4 C5 1.571(9) . ?
C6 C8 1.365(4) . ?
C6 C7 1.588(10) . ?
C6 C7' 1.596(10) . ?
C8 C9 1.410(3) . ?
C8 H8 0.9400 . ?
C9 C10 1.519(4) . ?
C11 H11A 0.9700 . ?
C11 H11B 0.9700 . ?
C11 H11C 0.9700 . ?
C12 C17 1.376(3) . ?
C12 C13 1.461(3) . ?
C13 C14 1.449(3) . ?
C14 C15 1.427(3) . ?
C14 C18 1.459(3) . ?
C15 C16 1.385(3) . ?
C15 H15 0.9400 . ?
C16 C17 1.428(3) . ?
C17 H17 0.9400 . ?
C18 C19 1.383(3) . ?
C18 H18 0.9400 . ?
C19 C20 1.438(3) . ?
C19 H19 0.9400 . ?
C20 C22 1.542(3) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C21 H21C 0.9700 . ?
C22 C25 1.533(3) . ?
C22 C23 1.542(3) . ?
C22 C24 1.547(3) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C23 H23C 0.9700 . ?
C24 H24A 0.9700 . ?
C24 H24B 0.9700 . ?
C24 H24C 0.9700 . ?
C25 C30 1.391(3) . ?
C25 C26 1.397(3) . ?
C26 C27 1.403(3) . ?
C27 C28 1.395(4) . ?
C27 H27 0.9400 . ?
C28 C29 1.400(5) . ?
C28 H28 0.9400 . ?
C29 C30 1.407(4) . ?
C29 H29 0.9400 . ?
C30 H30 0.9400 . ?

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
O6 Co1 O1 95.50(9) . . ?
O6 Co1 O3 170.37(7) . . ?
O1 Co1 O3 86.48(9) . . ?
O6 Co1 O2 96.21(7) . . ?
O1 Co1 O2 89.84(8) . . ?
O3 Co1 O2 93.22(8) . . ?
O6 Co1 O4 91.78(8) . . ?
O1 Co1 O4 172.70(7) . . ?
O3 Co1 O4 86.41(9) . . ?
O2 Co1 O4 88.90(7) . . ?
O6 Co1 O5 76.28(6) . . ?
O1 Co1 O5 90.65(8) . . ?
O3 Co1 O5 94.30(7) . . ?
O2 Co1 O5 172.48(6) . . ?
O4 Co1 O5 91.55(7) . . ?
C1 O1 Co1 123.50(18) . . ?
C4 O2 Co1 125.92(18) . . ?
C6 O3 Co1 124.29(16) . . ?
C9 O4 Co1 122.43(15) . . ?
C12 O5 C11 118.57(18) . . ?
C12 O5 Co1 112.61(12) . . ?
C11 O5 Co1 127.90(14) . . ?
C13 O6 Co1 119.07(13) . . ?
O8 N1 O7 122.4(2) . . ?
O8 N1 C16 118.8(2) . . ?
O7 N1 C16 118.8(2) . . ?
C20 N2 C26 112.01(17) . . ?
C20 N2 C21 127.45(19) . . ?
C26 N2 C21 120.5(2) . . ?
O1 C1 C3 130.3(3) . . ?
O1 C1 C2 120.9(4) . . ?
C3 C1 C2 108.7(4) . . ?
O1 C1 C2' 104.3(5) . . ?
C3 C1 C2' 125.4(5) . . ?
F1 C2 F2 105.6(8) . . ?
F1 C2 F3 104.3(9) . . ?
F2 C2 F3 110.4(11) . . ?
F1 C2 C1 120.4(8) . . ?
F2 C2 C1 108.4(8) . . ?
F3 C2 C1 107.5(7) . . ?
F1' C2' F2' 106.5(9) . . ?
F1' C2' F3' 112.1(13) . . ?
F2' C2' F3' 105.7(10) . . ?
F1' C2' C1 108.0(9) . . ?
F2' C2' C1 119.7(9) . . ?
F3' C2' C1 105.1(8) . . ?
C4 C3 C1 122.8(3) . . ?
C4 C3 H3 118.6 . . ?
C1 C3 H3 118.6 . . ?
O2 C4 C3 127.5(3) . . ?
O2 C4 C5' 117.8(6) . . ?
C3 C4 C5' 114.5(6) . . ?
O2 C4 C5 111.5(4) . . ?
C3 C4 C5 121.0(4) . . ?
F5 C5 F6 108.5(9) . . ?
F5 C5 F4 102.2(9) . . ?
F6 C5 F4 110.0(10) . . ?
F5 C5 C4 115.4(8) . . ?
F6 C5 C4 108.1(8) . . ?
F4 C5 C4 112.5(8) . . ?
F4' C5' F5' 109.6(15) . . ?
F4' C5' F6' 105.4(13) . . ?
F5' C5' F6' 105.7(14) . . ?
F4' C5' C4 118.0(12) . . ?
F5' C5' C4 102.9(11) . . ?
F6' C5' C4 114.7(12) . . ?
O3 C6 C8 128.0(2) . . ?
O3 C6 C7 108.9(4) . . ?
C8 C6 C7 122.6(4) . . ?
O3 C6 C7' 118.9(4) . . ?
C8 C6 C7' 112.8(4) . . ?
F8 C7 F9 116.4(9) . . ?
F8 C7 F7 111.7(8) . . ?
F9 C7 F7 101.8(8) . . ?
F8 C7 C6 110.6(7) . . ?
F9 C7 C6 109.3(7) . . ?
F7 C7 C6 106.4(7) . . ?
F7' C7' F8' 111.6(9) . . ?
F7' C7' F9' 98.4(8) . . ?
F8' C7' F9' 114.1(8) . . ?
F7' C7' C6 110.7(7) . . ?
F8' C7' C6 115.7(8) . . ?
F9' C7' C6 105.0(7) . . ?
C6 C8 C9 122.3(2) . . ?
C6 C8 H8 118.8 . . ?
C9 C8 H8 118.8 . . ?
O4 C9 C8 128.6(2) . . ?
O4 C9 C10 114.6(2) . . ?
C8 C9 C10 116.8(2) . . ?
F11' C10 F10' 109.2(7) . . ?
F11' C10 F12' 115.9(6) . . ?
F10' C10 F12' 102.3(5) . . ?
F10 C10 F11 105.1(5) . . ?
F10 C10 F12 110.1(4) . . ?
F11 C10 F12 98.8(4) . . ?
F11' C10 C9 110.6(5) . . ?
F10 C10 C9 116.1(4) . . ?
F10' C10 C9 110.9(4) . . ?
F12' C10 C9 107.7(3) . . ?
F11 C10 C9 110.3(4) . . ?
F12 C10 C9 114.6(2) . . ?
O5 C11 H11A 109.5 . . ?
O5 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O5 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C17 C12 O5 125.22(19) . . ?
C17 C12 C13 123.01(19) . . ?
O5 C12 C13 111.74(18) . . ?
O6 C13 C14 122.88(18) . . ?
O6 C13 C12 120.21(18) . . ?
C14 C13 C12 116.91(18) . . ?
C15 C14 C13 119.18(18) . . ?
C15 C14 C18 118.30(18) . . ?
C13 C14 C18 122.48(18) . . ?
C16 C15 C14 120.36(19) . . ?
C16 C15 H15 119.8 . . ?
C14 C15 H15 119.8 . . ?
C15 C16 C17 122.40(19) . . ?
C15 C16 N1 119.3(2) . . ?
C17 C16 N1 118.3(2) . . ?
C12 C17 C16 117.71(19) . . ?
C12 C17 H17 121.1 . . ?
C16 C17 H17 121.1 . . ?
C19 C18 C14 127.57(18) . . ?
C19 C18 H18 116.2 . . ?
C14 C18 H18 116.2 . . ?
C18 C19 C20 124.44(18) . . ?
C18 C19 H19 117.8 . . ?
C20 C19 H19 117.8 . . ?
N2 C20 C19 122.57(18) . . ?
N2 C20 C22 109.41(17) . . ?
C19 C20 C22 127.97(17) . . ?
N2 C21 H21A 109.5 . . ?
N2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C25 C22 C23 112.18(17) . . ?
C25 C22 C20 100.75(16) . . ?
C23 C22 C20 112.03(18) . . ?
C25 C22 C24 109.27(18) . . ?
C23 C22 C24 110.51(18) . . ?
C20 C22 C24 111.76(17) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C30 C25 C26 119.3(2) . . ?
C30 C25 C22 130.7(2) . . ?
C26 C25 C22 109.94(19) . . ?
C25 C26 C27 123.7(2) . . ?
C25 C26 N2 107.81(19) . . ?
C27 C26 N2 128.5(2) . . ?
C28 C27 C26 116.1(3) . . ?
C28 C27 H27 121.9 . . ?
C26 C27 H27 121.9 . . ?
C27 C28 C29 121.2(3) . . ?
C27 C28 H28 119.4 . . ?
C29 C28 H28 119.4 . . ?
C28 C29 C30 121.5(3) . . ?
C28 C29 H29 119.3 . . ?
C30 C29 H29 119.3 . . ?
C25 C30 C29 118.2(3) . . ?
C25 C30 H30 120.9 . . ?
C29 C30 H30 120.9 . . ?

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
Co1 O1 C1 C3 -2.2(4) . . . . ?
Co1 O1 C1 C2 -177.4(4) . . . . ?
Co1 O1 C1 C2' 175.4(4) . . . . ?
O1 C1 C2 F1 179.0(6) . . . . ?
C3 C1 C2 F1 2.9(9) . . . . ?
O1 C1 C2 F2 57.5(9) . . . . ?
C3 C1 C2 F2 -118.7(7) . . . . ?
O1 C1 C2 F3 -61.9(9) . . . . ?
C3 C1 C2 F3 121.9(9) . . . . ?
O1 C1 C2' F1' -122.2(9) . . . . ?
C3 C1 C2' F1' 55.5(11) . . . . ?
O1 C1 C2' F2' -0.3(9) . . . . ?
C3 C1 C2' F2' 177.3(6) . . . . ?
O1 C1 C2' F3' 118.1(10) . . . . ?
C3 C1 C2' F3' -64.2(11) . . . . ?
O1 C1 C3 C4 -0.9(5) . . . . ?
C2 C1 C3 C4 174.8(4) . . . . ?
C2' C1 C3 C4 -177.9(5) . . . . ?
Co1 O2 C4 C3 2.3(4) . . . . ?
Co1 O2 C4 C5' 177.4(7) . . . . ?
Co1 O2 C4 C5 -176.0(5) . . . . ?
C1 C3 C4 O2 0.8(5) . . . . ?
C1 C3 C4 C5' -174.5(7) . . . . ?
C1 C3 C4 C5 178.9(5) . . . . ?
O2 C4 C5 F5 52.2(10) . . . . ?
C3 C4 C5 F5 -126.2(8) . . . . ?
O2 C4 C5 F6 -69.4(11) . . . . ?
C3 C4 C5 F6 112.2(9) . . . . ?
O2 C4 C5 F4 168.9(9) . . . . ?
C3 C4 C5 F4 -9.5(12) . . . . ?
O2 C4 C5' F4' -158.4(18) . . . . ?
C3 C4 C5' F4' 17.3(19) . . . . ?
O2 C4 C5' F5' 80.9(15) . . . . ?
C3 C4 C5' F5' -103.4(13) . . . . ?
O2 C4 C5' F6' -33.4(18) . . . . ?
C3 C4 C5' F6' 142.4(14) . . . . ?
Co1 O3 C6 C8 18.3(5) . . . . ?
Co1 O3 C6 C7 -169.5(4) . . . . ?
Co1 O3 C6 C7' -154.9(5) . . . . ?
O3 C6 C7 F8 -63.6(8) . . . . ?
C8 C6 C7 F8 109.1(7) . . . . ?
O3 C6 C7 F9 167.0(7) . . . . ?
C8 C6 C7 F9 -20.3(11) . . . . ?
O3 C6 C7 F7 57.8(7) . . . . ?
C8 C6 C7 F7 -129.5(6) . . . . ?
O3 C6 C7' F7' -26.6(11) . . . . ?
C8 C6 C7' F7' 159.2(8) . . . . ?
O3 C6 C7' F8' 101.5(8) . . . . ?
C8 C6 C7' F8' -72.7(10) . . . . ?
O3 C6 C7' F9' -131.8(6) . . . . ?
C8 C6 C7' F9' 54.0(8) . . . . ?
O3 C6 C8 C9 3.7(6) . . . . ?
C7 C6 C8 C9 -167.5(5) . . . . ?
C7' C6 C8 C9 177.3(5) . . . . ?
Co1 O4 C9 C8 -17.1(4) . . . . ?
Co1 O4 C9 C10 163.89(15) . . . . ?
C6 C8 C9 O4 -4.1(5) . . . . ?
C6 C8 C9 C10 174.9(3) . . . . ?
O4 C9 C10 F11' 75.1(8) . . . . ?
C8 C9 C10 F11' -104.0(8) . . . . ?
O4 C9 C10 F10 -131.8(5) . . . . ?
C8 C9 C10 F10 49.1(6) . . . . ?
O4 C9 C10 F10' -163.6(6) . . . . ?
C8 C9 C10 F10' 17.3(6) . . . . ?
O4 C9 C10 F12' -52.4(7) . . . . ?
C8 C9 C10 F12' 128.4(7) . . . . ?
O4 C9 C10 F11 108.8(4) . . . . ?
C8 C9 C10 F11 -70.3(5) . . . . ?
O4 C9 C10 F12 -1.6(5) . . . . ?
C8 C9 C10 F12 179.3(4) . . . . ?
C11 O5 C12 C17 15.2(3) . . . . ?
Co1 O5 C12 C17 -174.95(16) . . . . ?
C11 O5 C12 C13 -166.54(18) . . . . ?
Co1 O5 C12 C13 3.3(2) . . . . ?
Co1 O6 C13 C14 -179.46(14) . . . . ?
Co1 O6 C13 C12 0.1(2) . . . . ?
C17 C12 C13 O6 175.86(18) . . . . ?
O5 C12 C13 O6 -2.5(3) . . . . ?
C17 C12 C13 C14 -4.6(3) . . . . ?
O5 C12 C13 C14 177.13(16) . . . . ?
O6 C13 C14 C15 -173.14(18) . . . . ?
C12 C13 C14 C15 7.3(3) . . . . ?
O6 C13 C14 C18 9.3(3) . . . . ?
C12 C13 C14 C18 -170.31(17) . . . . ?
C13 C14 C15 C16 -4.5(3) . . . . ?
C18 C14 C15 C16 173.15(18) . . . . ?
C14 C15 C16 C17 -1.4(3) . . . . ?
C14 C15 C16 N1 178.01(17) . . . . ?
O8 N1 C16 C15 -6.8(3) . . . . ?
O7 N1 C16 C15 173.6(2) . . . . ?
O8 N1 C16 C17 172.6(2) . . . . ?
O7 N1 C16 C17 -6.9(3) . . . . ?
O5 C12 C17 C16 176.97(18) . . . . ?
C13 C12 C17 C16 -1.1(3) . . . . ?
C15 C16 C17 C12 4.3(3) . . . . ?
N1 C16 C17 C12 -175.16(18) . . . . ?
C15 C14 C18 C19 -178.88(19) . . . . ?
C13 C14 C18 C19 -1.3(3) . . . . ?
C14 C18 C19 C20 172.03(19) . . . . ?
C26 N2 C20 C19 176.02(18) . . . . ?
C21 N2 C20 C19 -3.0(3) . . . . ?
C26 N2 C20 C22 -1.5(2) . . . . ?
C21 N2 C20 C22 179.4(2) . . . . ?
C18 C19 C20 N2 176.32(18) . . . . ?
C18 C19 C20 C22 -6.6(3) . . . . ?
N2 C20 C22 C25 2.6(2) . . . . ?
C19 C20 C22 C25 -174.80(19) . . . . ?
N2 C20 C22 C23 122.02(18) . . . . ?
C19 C20 C22 C23 -55.4(3) . . . . ?
N2 C20 C22 C24 -113.34(19) . . . . ?
C19 C20 C22 C24 69.3(3) . . . . ?
C23 C22 C25 C30 59.5(3) . . . . ?
C20 C22 C25 C30 178.8(3) . . . . ?
C24 C22 C25 C30 -63.4(3) . . . . ?
C23 C22 C25 C26 -122.1(2) . . . . ?
C20 C22 C25 C26 -2.8(2) . . . . ?
C24 C22 C25 C26 115.0(2) . . . . ?
C30 C25 C26 C27 0.9(4) . . . . ?
C22 C25 C26 C27 -177.7(2) . . . . ?
C30 C25 C26 N2 -179.3(2) . . . . ?
C22 C25 C26 N2 2.1(2) . . . . ?
C20 N2 C26 C25 -0.4(2) . . . . ?
C21 N2 C26 C25 178.8(2) . . . . ?
C20 N2 C26 C27 179.4(2) . . . . ?
C21 N2 C26 C27 -1.5(3) . . . . ?
C25 C26 C27 C28 -1.0(4) . . . . ?
N2 C26 C27 C28 179.3(3) . . . . ?
C26 C27 C28 C29 0.3(5) . . . . ?
C27 C28 C29 C30 0.4(5) . . . . ?
C26 C25 C30 C29 -0.2(4) . . . . ?
C22 C25 C30 C29 178.1(3) . . . . ?
C28 C29 C30 C25 -0.5(5) . . . . ?

_refine_diff_density_max         0.441
_refine_diff_density_min         -0.426
_refine_diff_density_rms         0.047

####################################################################### 
# 
# 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_23ma40_150
_database_code_depnum_ccdc_archive 'CCDC 2304235'
loop_
_audit_author_name
_audit_author_address
'Ilya Yakushev'
;Kurnakov Institute of general and inorganic chemistry, RAS
Russia
;
_audit_update_record             
;
2023-10-28 deposited with the CCDC.	2024-01-08 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2019/3
_shelx_SHELXL_version_number     2019/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C30 H22 Co F12 N2 O8'
_chemical_formula_sum            'C30 H22 Co F12 N2 O8'
_chemical_formula_weight         825.42

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'
Co Co 0.3494 0.9721 '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'
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                   9.4583(12)
_cell_length_b                   13.1429(17)
_cell_length_c                   13.5183(18)
_cell_angle_alpha                87.667(4)
_cell_angle_beta                 88.472(4)
_cell_angle_gamma                83.159(4)
_cell_volume                     1666.7(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    3938
_cell_measurement_theta_min      2.52
_cell_measurement_theta_max      25.73

_exptl_crystal_description       prism
_exptl_crystal_colour            red
_exptl_crystal_density_meas      'not measured'
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.645
_exptl_crystal_F_000             830
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          0.160
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.070
_exptl_absorpt_coefficient_mu    0.634
_shelx_estimated_absorpt_T_min   0.905
_shelx_estimated_absorpt_T_max   0.957
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.5170
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_process_details   
;
 SADABS 2016/2: Krause, L., Herbst-Irmer, R., Sheldrick G.M. & Stalke D.,
 J. Appl. Cryst. 48 (2015) 3-10
;
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      150(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       ω
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            14914
_diffrn_reflns_av_unetI/netI     0.0972
_diffrn_reflns_av_R_equivalents  0.0495
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         2.130
_diffrn_reflns_theta_max         28.651
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measured_fraction_theta_full 0.970
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_Laue_measured_fraction_full 0.970
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_point_group_measured_fraction_full 0.970
_reflns_number_total             8205
_reflns_number_gt                4616
_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       'Bruker APEX3'
_computing_cell_refinement       'Bruker SAINT'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'SHELXT-2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_molecular_graphics    ?
_computing_publication_material  'Bruker SHELXTL'
_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)+(0.0693P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         8205
_refine_ls_number_parameters     547
_refine_ls_number_restraints     256
_refine_ls_R_factor_all          0.1173
_refine_ls_R_factor_gt           0.0573
_refine_ls_wR_factor_ref         0.1686
_refine_ls_wR_factor_gt          0.1403
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_restrained_S_all      1.069
_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
Co1 Co 0.55291(5) 0.66530(4) 0.18047(3) 0.03735(15) Uani 1 1 d . . . . .
F1 F 0.1613(3) 0.93322(19) 0.00193(18) 0.0711(7) Uani 1 1 d . . . . .
F2 F 0.0978(2) 0.7969(2) 0.07035(18) 0.0728(7) Uani 1 1 d . . . . .
F3 F 0.2216(3) 0.7912(2) -0.06583(17) 0.0795(8) Uani 1 1 d . . . . .
F4 F 0.5053(3) 1.07486(19) 0.1624(2) 0.1005(11) Uani 1 1 d . . . . .
F5 F 0.7114(3) 0.9919(2) 0.1785(2) 0.0859(9) Uani 1 1 d . . . . .
F6 F 0.5647(3) 0.99596(17) 0.29998(16) 0.0628(6) Uani 1 1 d . . . . .
F7 F 0.8210(8) 0.7308(6) -0.1058(5) 0.119(3) Uani 0.661(10) 1 d D U P A 1
F7' F 0.7767(11) 0.6538(14) -0.1280(6) 0.082(3) Uani 0.339(10) 1 d D U P A 2
F8 F 0.8049(5) 0.5708(7) -0.1133(3) 0.087(2) Uani 0.661(10) 1 d D U P A 1
F8' F 0.8337(14) 0.7906(11) -0.0761(9) 0.103(4) Uani 0.339(10) 1 d D U P A 2
F9 F 1.0013(7) 0.6180(6) -0.0731(6) 0.0712(18) Uani 0.661(10) 1 d D U P A 1
F9' F 0.9825(16) 0.6652(11) -0.0797(13) 0.081(4) Uani 0.339(10) 1 d D U P A 2
F10 F 1.0774(14) 0.6446(9) 0.2922(11) 0.068(3) Uani 0.421(16) 1 d D U P B 1
F10' F 1.0958(9) 0.6249(9) 0.2573(7) 0.065(2) Uani 0.579(16) 1 d D U P B 2
F11 F 1.0671(15) 0.4919(8) 0.2738(11) 0.073(3) Uani 0.421(16) 1 d D U P B 1
F11' F 1.0078(13) 0.4855(6) 0.2995(9) 0.084(3) Uani 0.579(16) 1 d D U P B 2
F12 F 0.9421(8) 0.5578(14) 0.3852(5) 0.072(3) Uani 0.421(16) 1 d D U P B 1
F12' F 0.9455(6) 0.6271(10) 0.3739(5) 0.070(3) Uani 0.579(16) 1 d D U P B 2
O1 O 0.3807(3) 0.72162(18) 0.09691(16) 0.0438(6) Uani 1 1 d . . . . .
O2 O 0.5920(3) 0.81234(19) 0.20254(17) 0.0441(6) Uani 1 1 d . . . . .
O3 O 0.6688(3) 0.65453(19) 0.05209(16) 0.0466(6) Uani 1 1 d . . . . .
O4 O 0.7392(2) 0.60822(17) 0.25348(16) 0.0420(6) Uani 1 1 d . . . . .
O5 O 0.5045(2) 0.50472(16) 0.18053(15) 0.0386(5) Uani 1 1 d . . . . .
O6 O 0.4364(2) 0.64977(16) 0.30416(15) 0.0352(5) Uani 1 1 d . . . . .
O7 O 0.4251(3) 0.18374(19) 0.3785(2) 0.0691(9) Uani 1 1 d . . . . .
O8 O 0.3389(3) 0.23498(18) 0.51887(19) 0.0461(6) Uani 1 1 d . . . . .
N1 N 0.3819(3) 0.2523(2) 0.4338(2) 0.0423(7) Uani 1 1 d . . . . .
N2 N 0.2315(3) 0.89320(19) 0.52772(18) 0.0307(6) Uani 1 1 d . . . . .
C1 C 0.3406(4) 0.8149(3) 0.0807(2) 0.0394(8) Uani 1 1 d . . . . .
C2 C 0.2055(4) 0.8341(3) 0.0209(3) 0.0496(9) Uani 1 1 d . . . . .
C3 C 0.4008(4) 0.8998(3) 0.1107(2) 0.0450(9) Uani 1 1 d . . . . .
H3 H 0.358275 0.966199 0.090234 0.054 Uiso 1 1 calc R U . . .
C4 C 0.5208(4) 0.8916(3) 0.1694(2) 0.0406(8) Uani 1 1 d . . . . .
C5 C 0.5741(5) 0.9899(3) 0.2022(3) 0.0566(10) Uani 1 1 d . . . . .
C6 C 0.8031(4) 0.6443(3) 0.0445(3) 0.0556(11) Uani 1 1 d D . . . .
C7 C 0.8605(8) 0.6397(7) -0.0632(5) 0.0626(19) Uani 0.661(10) 1 d D U P A 1
C7' C 0.8475(16) 0.6896(12) -0.0593(10) 0.071(3) Uani 0.339(10) 1 d D U P A 2
C8 C 0.9013(4) 0.6255(3) 0.1179(3) 0.0598(12) Uani 1 1 d . . . . .
H8 H 0.999645 0.624294 0.100985 0.072 Uiso 1 1 calc R U . . .
C9 C 0.8611(4) 0.6082(3) 0.2168(2) 0.0401(8) Uani 1 1 d . . . . .
C10 C 0.9821(4) 0.5827(3) 0.2896(3) 0.0459(9) Uani 1 1 d D U . . .
C11 C 0.5646(4) 0.4265(3) 0.1148(2) 0.0411(8) Uani 1 1 d . . . . .
H11A H 0.490918 0.384028 0.097927 0.062 Uiso 1 1 calc R U . . .
H11B H 0.642825 0.383515 0.147444 0.062 Uiso 1 1 calc R U . . .
H11C H 0.600761 0.458901 0.054166 0.062 Uiso 1 1 calc R U . . .
C12 C 0.4535(3) 0.4734(2) 0.2719(2) 0.0308(7) Uani 1 1 d . . . . .
C13 C 0.4127(3) 0.5591(2) 0.3346(2) 0.0309(7) Uani 1 1 d . . . . .
C14 C 0.3459(3) 0.5374(2) 0.4283(2) 0.0298(7) Uani 1 1 d . . . . .
C15 C 0.3374(3) 0.4350(2) 0.4587(2) 0.0318(7) Uani 1 1 d . . . . .
H15 H 0.298120 0.419671 0.522240 0.038 Uiso 1 1 calc R U . . .
C16 C 0.3848(3) 0.3579(2) 0.3985(2) 0.0339(7) Uani 1 1 d . . . . .
C17 C 0.4407(3) 0.3758(2) 0.3019(2) 0.0349(7) Uani 1 1 d . . . . .
H17 H 0.468421 0.320657 0.259562 0.042 Uiso 1 1 calc R U . . .
C18 C 0.2866(3) 0.6170(2) 0.4907(2) 0.0309(7) Uani 1 1 d . . . . .
H18 H 0.238707 0.595427 0.549106 0.037 Uiso 1 1 calc R U . . .
C19 C 0.2894(3) 0.7198(2) 0.4777(2) 0.0305(7) Uani 1 1 d . . . . .
H19 H 0.345016 0.743331 0.423821 0.037 Uiso 1 1 calc R U . . .
C20 C 0.2153(3) 0.7942(2) 0.5389(2) 0.0291(7) Uani 1 1 d . . . . .
C21 C 0.3309(4) 0.9370(3) 0.4575(2) 0.0417(8) Uani 1 1 d . . . . .
H21A H 0.421270 0.892027 0.455650 0.063 Uiso 1 1 calc R U . . .
H21B H 0.347656 1.004919 0.478468 0.063 Uiso 1 1 calc R U . . .
H21C H 0.290000 0.943187 0.391318 0.063 Uiso 1 1 calc R U . . .
C22 C 0.1066(3) 0.7794(2) 0.6224(2) 0.0304(7) Uani 1 1 d . . . . .
C23 C -0.0191(3) 0.7259(2) 0.5890(2) 0.0361(7) Uani 1 1 d . . . . .
H23A H -0.062464 0.763386 0.531126 0.054 Uiso 1 1 calc R U . . .
H23B H -0.090192 0.724898 0.643026 0.054 Uiso 1 1 calc R U . . .
H23C H 0.015174 0.655465 0.571635 0.054 Uiso 1 1 calc R U . . .
C24 C 0.1803(3) 0.7219(2) 0.7118(2) 0.0362(7) Uani 1 1 d . . . . .
H24A H 0.213931 0.651257 0.694513 0.054 Uiso 1 1 calc R U . . .
H24B H 0.112414 0.721133 0.767836 0.054 Uiso 1 1 calc R U . . .
H24C H 0.261408 0.756529 0.730100 0.054 Uiso 1 1 calc R U . . .
C25 C 0.0608(3) 0.8892(2) 0.6482(2) 0.0332(7) Uani 1 1 d . . . . .
C26 C 0.1385(3) 0.9538(2) 0.5918(2) 0.0341(7) Uani 1 1 d . . . . .
C27 C 0.1264(4) 1.0582(2) 0.6019(3) 0.0433(9) Uani 1 1 d . . . . .
H27 H 0.183812 1.100689 0.564072 0.052 Uiso 1 1 calc R U . . .
C28 C 0.0255(4) 1.0977(3) 0.6707(3) 0.0585(11) Uani 1 1 d . . . . .
H28 H 0.012187 1.169545 0.679527 0.070 Uiso 1 1 calc R U . . .
C29 C -0.0564(4) 1.0356(3) 0.7267(3) 0.0582(11) Uani 1 1 d . . . . .
H29 H -0.125563 1.065554 0.772517 0.070 Uiso 1 1 calc R U . . .
C30 C -0.0388(4) 0.9296(3) 0.7170(3) 0.0472(9) Uani 1 1 d . . . . .
H30 H -0.093604 0.886540 0.756354 0.057 Uiso 1 1 calc R U . . .


_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
Co1 O6 1.995(2) . ?
Co1 O3 2.028(2) . ?
Co1 O2 2.046(2) . ?
Co1 O1 2.054(2) . ?
Co1 O4 2.088(2) . ?
Co1 O5 2.212(2) . ?
F1 C2 1.337(4) . ?
F2 C2 1.334(4) . ?
F3 C2 1.319(4) . ?
F4 C5 1.325(5) . ?
F5 C5 1.332(5) . ?
F6 C5 1.328(4) . ?
F7 C7 1.323(9) . ?
F7' C7' 1.295(13) . ?
F8 C7 1.318(8) . ?
F8' C7' 1.330(14) . ?
F9 C7 1.333(8) . ?
F9' C7' 1.304(14) . ?
F10 C10 1.286(10) . ?
F10' C10 1.323(8) . ?
F11 C10 1.378(10) . ?
F11' C10 1.273(8) . ?
F12 C10 1.375(7) . ?
F12' C10 1.321(6) . ?
O1 C1 1.252(4) . ?
O2 C4 1.245(4) . ?
O3 C6 1.263(4) . ?
O4 C9 1.243(4) . ?
O5 C12 1.379(4) . ?
O5 C11 1.441(3) . ?
O6 C13 1.288(3) . ?
O7 N1 1.220(4) . ?
O8 N1 1.232(4) . ?
N1 C16 1.452(4) . ?
N2 C20 1.330(4) . ?
N2 C26 1.418(4) . ?
N2 C21 1.467(4) . ?
C1 C3 1.390(5) . ?
C1 C2 1.520(5) . ?
C3 C4 1.394(5) . ?
C3 H3 0.9500 . ?
C4 C5 1.527(5) . ?
C6 C8 1.373(5) . ?
C6 C7 1.541(7) . ?
C6 C7' 1.568(14) . ?
C8 C9 1.397(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.527(5) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C17 1.348(4) . ?
C12 C13 1.446(4) . ?
C13 C14 1.434(4) . ?
C14 C15 1.402(4) . ?
C14 C18 1.424(4) . ?
C15 C16 1.353(4) . ?
C15 H15 0.9500 . ?
C16 C17 1.417(4) . ?
C17 H17 0.9500 . ?
C18 C19 1.358(4) . ?
C18 H18 0.9500 . ?
C19 C20 1.416(4) . ?
C19 H19 0.9500 . ?
C20 C22 1.528(4) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 C25 1.509(4) . ?
C22 C23 1.537(4) . ?
C22 C24 1.538(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 C26 1.381(4) . ?
C25 C30 1.382(4) . ?
C26 C27 1.375(4) . ?
C27 C28 1.385(5) . ?
C27 H27 0.9500 . ?
C28 C29 1.381(5) . ?
C28 H28 0.9500 . ?
C29 C30 1.395(5) . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?

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
O6 Co1 O3 169.93(9) . . ?
O6 Co1 O2 96.04(9) . . ?
O3 Co1 O2 93.96(10) . . ?
O6 Co1 O1 93.94(9) . . ?
O3 Co1 O1 87.38(10) . . ?
O2 Co1 O1 89.40(9) . . ?
O6 Co1 O4 91.27(9) . . ?
O3 Co1 O4 87.41(9) . . ?
O2 Co1 O4 90.51(9) . . ?
O1 Co1 O4 174.77(9) . . ?
O6 Co1 O5 76.09(8) . . ?
O3 Co1 O5 93.86(9) . . ?
O2 Co1 O5 171.51(8) . . ?
O1 Co1 O5 94.25(9) . . ?
O4 Co1 O5 86.55(9) . . ?
C1 O1 Co1 124.5(2) . . ?
C4 O2 Co1 125.7(2) . . ?
C6 O3 Co1 125.8(2) . . ?
C9 O4 Co1 124.3(2) . . ?
C12 O5 C11 117.7(2) . . ?
C12 O5 Co1 111.37(17) . . ?
C11 O5 Co1 126.8(2) . . ?
C13 O6 Co1 118.68(19) . . ?
O7 N1 O8 122.3(3) . . ?
O7 N1 C16 118.6(3) . . ?
O8 N1 C16 119.0(3) . . ?
C20 N2 C26 111.7(3) . . ?
C20 N2 C21 125.4(3) . . ?
C26 N2 C21 122.9(3) . . ?
O1 C1 C3 129.2(3) . . ?
O1 C1 C2 113.0(3) . . ?
C3 C1 C2 117.8(3) . . ?
F3 C2 F2 108.6(3) . . ?
F3 C2 F1 106.1(3) . . ?
F2 C2 F1 105.5(3) . . ?
F3 C2 C1 111.8(3) . . ?
F2 C2 C1 110.3(3) . . ?
F1 C2 C1 114.2(3) . . ?
C1 C3 C4 122.8(3) . . ?
C1 C3 H3 118.6 . . ?
C4 C3 H3 118.6 . . ?
O2 C4 C3 128.3(3) . . ?
O2 C4 C5 113.1(3) . . ?
C3 C4 C5 118.6(3) . . ?
F4 C5 F6 108.0(3) . . ?
F4 C5 F5 106.5(3) . . ?
F6 C5 F5 105.6(3) . . ?
F4 C5 C4 113.9(3) . . ?
F6 C5 C4 110.9(3) . . ?
F5 C5 C4 111.5(3) . . ?
O3 C6 C8 128.8(3) . . ?
O3 C6 C7 113.8(4) . . ?
C8 C6 C7 117.0(4) . . ?
O3 C6 C7' 108.8(6) . . ?
C8 C6 C7' 120.1(6) . . ?
F8 C7 F7 107.7(7) . . ?
F8 C7 F9 106.1(6) . . ?
F7 C7 F9 109.1(6) . . ?
F8 C7 C6 112.2(5) . . ?
F7 C7 C6 106.5(6) . . ?
F9 C7 C6 115.1(6) . . ?
F7' C7' F9' 107.3(12) . . ?
F7' C7' F8' 105.5(12) . . ?
F9' C7' F8' 101.3(11) . . ?
F7' C7' C6 109.9(10) . . ?
F9' C7' C6 112.1(13) . . ?
F8' C7' C6 119.7(11) . . ?
C6 C8 C9 122.0(4) . . ?
C6 C8 H8 119.0 . . ?
C9 C8 H8 119.0 . . ?
O4 C9 C8 128.6(3) . . ?
O4 C9 C10 115.1(3) . . ?
C8 C9 C10 116.3(3) . . ?
F11' C10 F12' 113.0(6) . . ?
F11' C10 F10' 111.8(7) . . ?
F12' C10 F10' 104.6(5) . . ?
F10 C10 F12 108.5(6) . . ?
F10 C10 F11 100.3(8) . . ?
F12 C10 F11 96.0(7) . . ?
F11' C10 C9 108.4(5) . . ?
F10 C10 C9 118.1(7) . . ?
F12' C10 C9 109.0(4) . . ?
F10' C10 C9 110.0(5) . . ?
F12 C10 C9 115.9(4) . . ?
F11 C10 C9 114.9(7) . . ?
O5 C11 H11A 109.5 . . ?
O5 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
O5 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C17 C12 O5 125.7(3) . . ?
C17 C12 C13 122.4(3) . . ?
O5 C12 C13 111.9(3) . . ?
O6 C13 C14 123.5(3) . . ?
O6 C13 C12 119.4(3) . . ?
C14 C13 C12 117.1(3) . . ?
C15 C14 C18 119.1(3) . . ?
C15 C14 C13 119.1(3) . . ?
C18 C14 C13 121.8(3) . . ?
C16 C15 C14 120.6(3) . . ?
C16 C15 H15 119.7 . . ?
C14 C15 H15 119.7 . . ?
C15 C16 C17 122.5(3) . . ?
C15 C16 N1 119.5(3) . . ?
C17 C16 N1 118.0(3) . . ?
C12 C17 C16 118.0(3) . . ?
C12 C17 H17 121.0 . . ?
C16 C17 H17 121.0 . . ?
C19 C18 C14 128.5(3) . . ?
C19 C18 H18 115.7 . . ?
C14 C18 H18 115.7 . . ?
C18 C19 C20 124.5(3) . . ?
C18 C19 H19 117.7 . . ?
C20 C19 H19 117.7 . . ?
N2 C20 C19 121.8(3) . . ?
N2 C20 C22 109.4(3) . . ?
C19 C20 C22 128.7(3) . . ?
N2 C21 H21A 109.5 . . ?
N2 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
N2 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C25 C22 C20 100.8(2) . . ?
C25 C22 C23 112.0(3) . . ?
C20 C22 C23 112.9(2) . . ?
C25 C22 C24 109.1(2) . . ?
C20 C22 C24 110.3(2) . . ?
C23 C22 C24 111.4(3) . . ?
C22 C23 H23A 109.5 . . ?
C22 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C22 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C22 C24 H24A 109.5 . . ?
C22 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C22 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C26 C25 C30 119.7(3) . . ?
C26 C25 C22 109.9(3) . . ?
C30 C25 C22 130.4(3) . . ?
C27 C26 C25 123.7(3) . . ?
C27 C26 N2 128.2(3) . . ?
C25 C26 N2 108.1(3) . . ?
C26 C27 C28 115.9(3) . . ?
C26 C27 H27 122.0 . . ?
C28 C27 H27 122.0 . . ?
C29 C28 C27 122.0(4) . . ?
C29 C28 H28 119.0 . . ?
C27 C28 H28 119.0 . . ?
C28 C29 C30 120.8(4) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
C25 C30 C29 117.9(4) . . ?
C25 C30 H30 121.1 . . ?
C29 C30 H30 121.1 . . ?

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
Co1 O1 C1 C3 2.0(5) . . . . ?
Co1 O1 C1 C2 -177.0(2) . . . . ?
O1 C1 C2 F3 -59.0(4) . . . . ?
C3 C1 C2 F3 121.9(4) . . . . ?
O1 C1 C2 F2 62.0(4) . . . . ?
C3 C1 C2 F2 -117.2(4) . . . . ?
O1 C1 C2 F1 -179.4(3) . . . . ?
C3 C1 C2 F1 1.4(5) . . . . ?
O1 C1 C3 C4 -1.9(6) . . . . ?
C2 C1 C3 C4 177.1(3) . . . . ?
Co1 O2 C4 C3 -0.2(5) . . . . ?
Co1 O2 C4 C5 177.9(2) . . . . ?
C1 C3 C4 O2 0.8(6) . . . . ?
C1 C3 C4 C5 -177.1(3) . . . . ?
O2 C4 C5 F4 175.9(3) . . . . ?
C3 C4 C5 F4 -5.9(5) . . . . ?
O2 C4 C5 F6 -62.0(4) . . . . ?
C3 C4 C5 F6 116.2(4) . . . . ?
O2 C4 C5 F5 55.4(4) . . . . ?
C3 C4 C5 F5 -126.4(4) . . . . ?
Co1 O3 C6 C8 8.8(6) . . . . ?
Co1 O3 C6 C7 -179.2(4) . . . . ?
Co1 O3 C6 C7' -153.6(6) . . . . ?
O3 C6 C7 F8 -51.8(7) . . . . ?
C8 C6 C7 F8 121.2(6) . . . . ?
O3 C6 C7 F7 65.7(7) . . . . ?
C8 C6 C7 F7 -121.2(7) . . . . ?
O3 C6 C7 F9 -173.1(5) . . . . ?
C8 C6 C7 F9 -0.1(8) . . . . ?
O3 C6 C7' F7' -49.1(11) . . . . ?
C8 C6 C7' F7' 146.7(9) . . . . ?
O3 C6 C7' F9' -168.4(9) . . . . ?
C8 C6 C7' F9' 27.5(13) . . . . ?
O3 C6 C7' F8' 73.2(12) . . . . ?
C8 C6 C7' F8' -90.9(13) . . . . ?
O3 C6 C8 C9 4.2(7) . . . . ?
C7 C6 C8 C9 -167.6(5) . . . . ?
C7' C6 C8 C9 164.9(7) . . . . ?
Co1 O4 C9 C8 -13.7(5) . . . . ?
Co1 O4 C9 C10 168.4(2) . . . . ?
C6 C8 C9 O4 -1.1(7) . . . . ?
C6 C8 C9 C10 176.8(4) . . . . ?
O4 C9 C10 F11' 83.8(7) . . . . ?
C8 C9 C10 F11' -94.4(8) . . . . ?
O4 C9 C10 F10 -128.0(9) . . . . ?
C8 C9 C10 F10 53.8(10) . . . . ?
O4 C9 C10 F12' -39.6(7) . . . . ?
C8 C9 C10 F12' 142.2(7) . . . . ?
O4 C9 C10 F10' -153.7(6) . . . . ?
C8 C9 C10 F10' 28.1(7) . . . . ?
O4 C9 C10 F12 3.2(9) . . . . ?
C8 C9 C10 F12 -175.0(9) . . . . ?
O4 C9 C10 F11 113.9(8) . . . . ?
C8 C9 C10 F11 -64.3(9) . . . . ?
C11 O5 C12 C17 -7.5(4) . . . . ?
Co1 O5 C12 C17 -166.2(3) . . . . ?
C11 O5 C12 C13 172.9(3) . . . . ?
Co1 O5 C12 C13 14.1(3) . . . . ?
Co1 O6 C13 C14 172.1(2) . . . . ?
Co1 O6 C13 C12 -8.6(4) . . . . ?
C17 C12 C13 O6 175.4(3) . . . . ?
O5 C12 C13 O6 -5.0(4) . . . . ?
C17 C12 C13 C14 -5.2(4) . . . . ?
O5 C12 C13 C14 174.4(2) . . . . ?
O6 C13 C14 C15 -173.8(3) . . . . ?
C12 C13 C14 C15 6.8(4) . . . . ?
O6 C13 C14 C18 6.8(4) . . . . ?
C12 C13 C14 C18 -172.6(3) . . . . ?
C18 C14 C15 C16 175.9(3) . . . . ?
C13 C14 C15 C16 -3.5(4) . . . . ?
C14 C15 C16 C17 -1.9(5) . . . . ?
C14 C15 C16 N1 176.7(3) . . . . ?
O7 N1 C16 C15 -179.9(3) . . . . ?
O8 N1 C16 C15 -1.5(5) . . . . ?
O7 N1 C16 C17 -1.3(5) . . . . ?
O8 N1 C16 C17 177.2(3) . . . . ?
O5 C12 C17 C16 -179.4(3) . . . . ?
C13 C12 C17 C16 0.2(5) . . . . ?
C15 C16 C17 C12 3.6(5) . . . . ?
N1 C16 C17 C12 -175.1(3) . . . . ?
C15 C14 C18 C19 176.4(3) . . . . ?
C13 C14 C18 C19 -4.2(5) . . . . ?
C14 C18 C19 C20 173.4(3) . . . . ?
C26 N2 C20 C19 175.3(3) . . . . ?
C21 N2 C20 C19 -3.9(4) . . . . ?
C26 N2 C20 C22 -3.3(3) . . . . ?
C21 N2 C20 C22 177.6(3) . . . . ?
C18 C19 C20 N2 174.2(3) . . . . ?
C18 C19 C20 C22 -7.5(5) . . . . ?
N2 C20 C22 C25 3.8(3) . . . . ?
C19 C20 C22 C25 -174.6(3) . . . . ?
N2 C20 C22 C23 123.4(3) . . . . ?
C19 C20 C22 C23 -55.1(4) . . . . ?
N2 C20 C22 C24 -111.4(3) . . . . ?
C19 C20 C22 C24 70.2(4) . . . . ?
C20 C22 C25 C26 -3.1(3) . . . . ?
C23 C22 C25 C26 -123.3(3) . . . . ?
C24 C22 C25 C26 113.0(3) . . . . ?
C20 C22 C25 C30 178.3(3) . . . . ?
C23 C22 C25 C30 58.1(4) . . . . ?
C24 C22 C25 C30 -65.6(4) . . . . ?
C30 C25 C26 C27 2.2(5) . . . . ?
C22 C25 C26 C27 -176.5(3) . . . . ?
C30 C25 C26 N2 -179.8(3) . . . . ?
C22 C25 C26 N2 1.4(3) . . . . ?
C20 N2 C26 C27 179.1(3) . . . . ?
C21 N2 C26 C27 -1.8(5) . . . . ?
C20 N2 C26 C25 1.2(3) . . . . ?
C21 N2 C26 C25 -179.6(3) . . . . ?
C25 C26 C27 C28 -2.6(5) . . . . ?
N2 C26 C27 C28 179.9(3) . . . . ?
C26 C27 C28 C29 1.0(6) . . . . ?
C27 C28 C29 C30 0.9(6) . . . . ?
C26 C25 C30 C29 -0.2(5) . . . . ?
C22 C25 C30 C29 178.3(3) . . . . ?
C28 C29 C30 C25 -1.3(6) . . . . ?

_refine_diff_density_max         0.471
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.076

