# 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_Compound_3
_database_code_depnum_ccdc_archive 'CCDC 1882099'
loop_
_audit_author_name
_audit_author_address
'Rowan Young'
;National University of Singapore
Singapore
;
_audit_update_record             
;
2018-11-29 deposited with the CCDC.	2019-06-05 downloaded from the CCDC.
;

_cell_length_a                   13.3734(14)
_cell_length_b                   18.0740(19)
_cell_length_c                   18.5411(19)
_cell_angle_alpha                101.092(4)
_cell_angle_beta                 94.248(4)
_cell_angle_gamma                106.328(4)
_cell_volume                     4181.2(8)

_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1 '
_symmetry_space_group_name_Hall  '-P 1'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z

loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
C 0.0033 0.0016 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
H 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
B 0.0013 0.0007 2.0545 23.2185 1.3326 1.0210 1.0979 60.3498 0.7068 0.1403
-0.1932 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
O 0.0106 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
F 0.0171 0.0103 3.5392 10.2825 2.6412 4.2944 1.5170 0.2615 1.0243 26.1476
0.2776 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
P 0.1023 0.0942 6.4345 1.9067 4.1791 27.1570 1.7800 0.5260 1.4908 68.1645
1.1149 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Co 0.3494 0.9721 12.2841 4.2791 7.3409 0.2784 4.0034 13.5359 2.3488 71.1692
1.0118 'International Tables Vol C 4.2.6.8 and 6.1.1.4'
Cl 0.1484 0.1585 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 'International Tables Vol C 4.2.6.8 and 6.1.1.4'


_cell_formula_units_Z            2

# Given Formula = C75 H58 B1 Cl2 Co1 F24 O1 P4 
# Dc =      1.35 Fooo =   1716.00 Mu =      4.39 M =   1695.78
# Found Formula = C84 H70 B1 Co1 F25 O1 P4 
# Dc =      1.40 FOOO =   1798.00 Mu =      3.82 M =   1764.07

_chemical_formula_sum            'C84 H70 B1 Co1 F25 O1 P4'
_chemical_formula_moiety         'C84 H70 B1 Co1 F25 O1 P4'
_chemical_compound_source        .
_chemical_formula_weight         1764.07


_cell_measurement_reflns_used    18945
_cell_measurement_theta_min      2.260
_cell_measurement_theta_max      27.419
_cell_measurement_temperature    100

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_size_min          0.091
_exptl_crystal_size_mid          0.109
_exptl_crystal_size_max          0.122

_exptl_crystal_density_diffrn    1.401
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
# Non-dispersive F(000): 
_exptl_crystal_F_000             1798
_exptl_absorpt_coefficient_mu    0.382

# Sheldrick geometric approximatio 1.00 1.00 
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.4856
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_process_details   'Bruker SADABS'
_diffrn_measurement_device_type  Unknown
_diffrn_measurement_device       Serial
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_method       ω/2θ

# If a reference occurs more than once, delete the author 
# and date from subsequent references. 
_computing_data_collection       'USER DEFINED DATA COLLECTION'
_computing_cell_refinement       'USER DEFINED CELL REFINEMENT'
_computing_data_reduction        'USER DEFINED DATA REDUCTION'
_computing_structure_solution    'SIR92 (Altomare et al., 1994)'
_computing_structure_refinement  'CRYSTALS (Betteridge et al., 2003)'
_computing_publication_material  'CRYSTALS (Betteridge et al., 2003)'
_computing_molecular_graphics    'CAMERON (Watkin et al., 1996)'

_diffrn_standards_interval_time  .
_diffrn_standards_interval_count .
_diffrn_standards_number         0
_diffrn_standards_decay_%        .

_diffrn_ambient_temperature      100
_diffrn_reflns_number            66359
_reflns_number_total             18945
_diffrn_reflns_av_R_equivalents  0.086
# Number of reflections without Friedels Law is 0 
# Number of reflections with Friedels Law is 18945 
# Theoretical number of reflections is about 38109 


_diffrn_reflns_theta_min         2.260
_diffrn_reflns_theta_max         27.419
_diffrn_measured_fraction_theta_max 0.994

_diffrn_reflns_theta_full        26.870
_diffrn_measured_fraction_theta_full 0.995


_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_limit_l_max       24
_reflns_limit_h_min              -17
_reflns_limit_h_max              17
_reflns_limit_k_min              -23
_reflns_limit_k_max              22
_reflns_limit_l_min              0
_reflns_limit_l_max              24

_oxford_diffrn_Wilson_B_factor   1.77
_oxford_diffrn_Wilson_scale      159.34

_atom_sites_solution_primary     direct #heavy,direct,difmap,geom,iterative
# _atom_sites_solution_secondary  difmap
_atom_sites_solution_hydrogens   difmap

_refine_diff_density_min         -1.70
_refine_diff_density_max         2.05


# The current dictionary definitions do not cover the 
# situation where the reflections used for refinement were 
# selected by a user-defined sigma threshold 


# The values actually used during refinement 
_oxford_refine_reflns_threshold_expression_ref I>-3.0\s(I)
_refine_ls_number_restraints     722
_refine_ls_number_parameters     1137
_refine_ls_number_reflns         18875
_oxford_refine_ls_R_factor_ref   0.1073
_refine_ls_wR_factor_ref         0.2357
_refine_ls_goodness_of_fit_ref   1.0250
_refine_ls_shift/su_max          0.0035048
_refine_ls_shift/su_mean         0.0000842


# The values computed with all filters except I/sigma 
_oxford_reflns_number_all        18884
_refine_ls_R_factor_all          0.1074
_refine_ls_wR_factor_all         0.2362

# The values computed with a 2 sigma cutoff - a la SHELX 
_reflns_threshold_expression     I>2.0σ(I)
_reflns_number_gt                13449
_refine_ls_R_factor_gt           0.0794
_refine_ls_wR_factor_gt          0.1996


_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_hydrogen_treatment    noref #undef, noref, refall,
# refxyz, refU, constr or mixed
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
;
 Method= Modified Sheldrick 
 w=1/[σ²(F²) + ( 0.10P)² +14.59P] 
 ,where P=(max(Fo²,0) + 2Fc²)/3 
;

# Uequiv = arithmetic mean of Ui i.e. Ueqiv = (U1+U2+U3)/3

# Replace last . with number of unfound hydrogen atoms attached to an atom.

# ..._refinement_flags_... 
# . no refinement constraints           S special position constraint on site
# G rigid group refinement of site      R riding atom
# D distance or angle restraint on site T thermal displacement constraints
# U Uiso or Uij restraint (rigid bond)  P partial occupancy constraint


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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_attached_hydrogens
Co1 Co 0.33135(4) 0.74634(3) 0.65662(3) 0.0186 1.0000 Uani . . . . . .
P1 P 0.17697(8) 0.75322(6) 0.61884(5) 0.0179 1.0000 Uani . . . . . .
P2 P 0.43961(8) 0.61564(6) 0.63104(6) 0.0198 1.0000 Uani . . . . . .
P3 P 0.30803(9) 0.75562(7) 0.77748(6) 0.0234 1.0000 Uani . . . . . .
P4 P 0.44839(9) 0.86366(7) 0.66345(6) 0.0261 1.0000 Uani . . . . . .
F1 F 0.2043(9) 0.5906(8) 0.1739(7) 0.1649 0.5000 Uani . U . . . .
F2 F 0.2771(11) 0.7266(8) -0.0186(8) 0.1820 0.5000 Uani . U . . . .
F53 F 0.7777(2) 0.8520(2) 0.3553(2) 0.0523 1.0000 Uani . U . . . .
F55 F 0.8129(3) 0.7434(2) 0.3500(3) 0.0778 1.0000 Uani . U . . . .
F56 F 0.8420(3) 0.8270(3) 0.4528(2) 0.0744 1.0000 Uani . U . . . .
F71 F 1.3735(3) 0.8979(2) -0.00818(16) 0.0551 1.0000 Uani . U . . . .
F72 F 1.4659(4) 0.9963(2) 0.0710(2) 0.0835 1.0000 Uani . U . . . .
F73 F 1.5171(3) 0.8944(3) 0.0397(2) 0.0792 1.0000 Uani . U . . . .
F75 F 1.3882(3) 0.7252(2) 0.2815(2) 0.0592 1.0000 Uani . U . . . .
F76 F 1.5348(3) 0.7928(4) 0.2597(3) 0.1017 1.0000 Uani . U . . . .
F77 F 1.4560(4) 0.8419(3) 0.3445(2) 0.0777 1.0000 Uani . U . . . .
F99 F 1.2979(3) 1.1529(2) 0.1663(2) 0.0644 1.0000 Uani . U . . . .
F100 F 1.2117(3) 1.1839(2) 0.2516(3) 0.0797 1.0000 Uani . U . . . .
F101 F 1.1815(4) 1.2036(2) 0.1405(4) 0.1164 1.0000 Uani . U . . . .
F103 F 0.8077(3) 0.9105(2) 0.01107(19) 0.0538 1.0000 Uani . U . . . .
F104 F 0.7698(3) 0.9701(3) 0.1115(2) 0.0700 1.0000 Uani . U . . . .
F105 F 0.8353(3) 1.0353(2) 0.0327(2) 0.0685 1.0000 Uani . U . . . .
F107 F 1.3109(3) 0.9707(3) 0.45992(19) 0.0653 1.0000 Uani . U . . . .
F108 F 1.1986(3) 0.9899(2) 0.53263(16) 0.0651 1.0000 Uani . U . . . .
F109 F 1.2482(3) 1.0659(2) 0.45753(18) 0.0573 1.0000 Uani . U . . . .
F850 F 1.0101(9) 0.7377(5) -0.0908(3) 0.0523 0.384(7) Uani D U P 1 1 .
F851 F 0.9396(8) 0.7264(4) -0.0915(3) 0.0721 0.616(7) Uani D U P 1 2 .
F860 F 0.8708(7) 0.6464(8) -0.0982(4) 0.0650 0.384(7) Uani D U P 1 1 .
F861 F 0.8984(5) 0.6010(4) -0.1029(2) 0.0575 0.616(7) Uani D U P 1 2 .
F870 F 1.0288(10) 0.6280(8) -0.0987(4) 0.0639 0.384(7) Uani D U P 1 1 .
F871 F 1.0583(5) 0.6701(5) -0.0946(3) 0.0623 0.616(7) Uani D U P 1 2 .
F890 F 0.9262(11) 0.4920(4) 0.1144(5) 0.0666 0.381(6) Uani D U P 1 3 .
F891 F 0.8756(7) 0.4948(3) 0.1174(4) 0.0704 0.619(6) Uani D U P 1 4 .
F900 F 0.9769(11) 0.5749(5) 0.2279(5) 0.0677 0.381(6) Uani D U P 1 3 .
F901 F 1.0265(6) 0.5462(3) 0.1877(4) 0.0742 0.619(6) Uani D U P 1 4 .
F910 F 0.8365(8) 0.5516(5) 0.1806(6) 0.0694 0.381(6) Uani D U P 1 3 .
F911 F 0.8965(8) 0.5749(4) 0.2219(4) 0.0798 0.619(6) Uani D U P 1 4 .
C1 C 0.3362(3) 0.7101(2) 0.5524(2) 0.0214 1.0000 Uani . . . . . .
C2 C 0.6138(10) 0.6164(8) 0.2159(6) 0.0852 0.5000 Uani D U . . . .
C3 C 0.1704(3) 0.7367(2) 0.5191(2) 0.0185 1.0000 Uani . . . . . .
C4 C 0.2536(3) 0.7082(2) 0.4951(2) 0.0187 1.0000 Uani . . . . . .
C5 C 0.6258(9) 0.6673(10) 0.0977(7) 0.0896 0.5000 Uani D U . . . .
C6 C 0.4341(3) 0.7002(2) 0.5257(2) 0.0212 1.0000 Uani . . . . . .
C7 C 0.4791(3) 0.7381(3) 0.4711(2) 0.0255 1.0000 Uani . . . . . .
C8 C 0.5752(3) 0.7341(3) 0.4501(3) 0.0295 1.0000 Uani . . . . . .
C9 C 0.6310(3) 0.6911(3) 0.4819(3) 0.0302 1.0000 Uani . . . . . .
C10 C 0.5892(3) 0.6529(3) 0.5359(2) 0.0267 1.0000 Uani . . . . . .
C11 C 0.4928(3) 0.6570(2) 0.5575(2) 0.0216 1.0000 Uani . . . . . .
C12 C 0.6842(9) 0.6746(8) 0.1753(7) 0.0891 0.5000 Uani D U . . . .
C13 C 0.6348(12) 0.7220(11) -0.0190(8) 0.0928 0.5000 Uani D U . . . .
C14 C 0.5325(3) 0.5775(3) 0.6751(2) 0.0239 1.0000 Uani . . . . . .
C15 C 0.5321(3) 0.4994(3) 0.6528(3) 0.0283 1.0000 Uani . . . . . .
C16 C 0.6055(4) 0.4725(3) 0.6893(3) 0.0346 1.0000 Uani . . . . . .
C17 C 0.6783(4) 0.5235(3) 0.7470(3) 0.0419 1.0000 Uani . . . . . .
C18 C 0.6791(4) 0.6008(3) 0.7695(4) 0.0494 1.0000 Uani . . . . . .
C19 C 0.6067(4) 0.6283(3) 0.7338(3) 0.0355 1.0000 Uani . . . . . .
C20 C 0.3259(3) 0.5321(2) 0.5926(2) 0.0212 1.0000 Uani . . . . . .
C21 C 0.2937(3) 0.5063(3) 0.5159(2) 0.0267 1.0000 Uani . . . . . .
C22 C 0.2071(4) 0.4403(3) 0.4880(3) 0.0318 1.0000 Uani . . . . . .
C23 C 0.1534(4) 0.3998(3) 0.5365(3) 0.0340 1.0000 Uani . . . . . .
C24 C 0.1840(4) 0.4243(3) 0.6121(3) 0.0325 1.0000 Uani . . . . . .
C25 C 0.2711(3) 0.4900(3) 0.6406(3) 0.0272 1.0000 Uani . . . . . .
C26 C 0.2474(3) 0.6787(2) 0.4179(2) 0.0222 1.0000 Uani . . . . . .
C27 C 0.1693(3) 0.6846(2) 0.3683(2) 0.0232 1.0000 Uani . . . . . .
C28 C 0.0938(3) 0.7198(3) 0.3930(2) 0.0234 1.0000 Uani . . . . . .
C29 C 0.0947(3) 0.7457(2) 0.4686(2) 0.0220 1.0000 Uani . . . . . .
C30 C 0.0762(3) 0.6668(2) 0.6346(2) 0.0205 1.0000 Uani . . . . . .
C31 C 0.0692(3) 0.5908(2) 0.5959(2) 0.0230 1.0000 Uani . . . . . .
C32 C 0.0004(3) 0.5248(3) 0.6130(3) 0.0272 1.0000 Uani . . . . . .
C33 C -0.0606(4) 0.5343(3) 0.6702(3) 0.0310 1.0000 Uani . . . . . .
C34 C -0.0536(4) 0.6092(3) 0.7088(2) 0.0318 1.0000 Uani . . . . . .
C35 C 0.0134(3) 0.6761(3) 0.6914(2) 0.0256 1.0000 Uani . . . . . .
C36 C 0.1193(3) 0.8332(2) 0.6452(2) 0.0235 1.0000 Uani . . . . . .
C37 C 0.1828(4) 0.9077(3) 0.6844(2) 0.0295 1.0000 Uani . . . . . .
C38 C 0.1393(5) 0.9697(3) 0.7030(3) 0.0381 1.0000 Uani . . . . . .
C39 C 0.0335(5) 0.9575(3) 0.6824(3) 0.0401 1.0000 Uani . . . . . .
C40 C -0.0293(4) 0.8848(3) 0.6424(3) 0.0370 1.0000 Uani . . . . . .
C41 C 0.0122(4) 0.8222(3) 0.6245(3) 0.0292 1.0000 Uani . . . . . .
C42 C 0.6979(9) 0.7230(11) 0.0557(8) 0.0917 0.5000 Uani D U . . . .
C43 C 0.4285(4) 0.9135(3) 0.5891(3) 0.0334 1.0000 Uani . . . . . .
C44 C 0.4773(4) 0.9461(3) 0.7447(3) 0.0407 1.0000 Uani . . . . . .
C45 C 0.5810(4) 0.8557(3) 0.6581(3) 0.0367 1.0000 Uani . . . . . .
C47 C 0.2390(4) 0.6586(3) 0.7936(3) 0.0295 1.0000 Uani . . . . . .
C48 C 0.2394(4) 0.8196(3) 0.8264(2) 0.0315 1.0000 Uani . . . . . .
C49 C 0.4297(4) 0.7811(3) 0.8413(2) 0.0342 1.0000 Uani . . . . . .
C54 C 0.8479(4) 0.8207(3) 0.3800(3) 0.0397 1.0000 Uani . U . . . .
C57 C 0.9567(4) 0.8584(3) 0.3648(3) 0.0292 1.0000 Uani . U . . . .
C58 C 1.0338(4) 0.9062(3) 0.4221(2) 0.0295 1.0000 Uani . U . . . .
C59 C 1.1345(4) 0.9382(3) 0.4047(2) 0.0275 1.0000 Uani . U . . . .
C60 C 1.1562(3) 0.9217(2) 0.3321(2) 0.0225 1.0000 Uani . U . . . .
C61 C 1.0806(3) 0.8729(2) 0.2732(2) 0.0210 1.0000 Uani . U . . . .
C62 C 0.9789(3) 0.8419(3) 0.2916(2) 0.0257 1.0000 Uani . U . . . .
C64 C 1.2295(3) 0.8638(2) 0.1825(2) 0.0215 1.0000 Uani . U . . . .
C65 C 1.2852(3) 0.8326(3) 0.2296(2) 0.0249 1.0000 Uani . U . . . .
C66 C 1.3861(3) 0.8286(3) 0.2209(3) 0.0288 1.0000 Uani . U . . . .
C67 C 1.4365(3) 0.8547(3) 0.1637(2) 0.0275 1.0000 Uani . U . . . .
C68 C 1.3827(4) 0.8859(3) 0.1160(2) 0.0282 1.0000 Uani . U . . . .
C69 C 1.2826(3) 0.8905(3) 0.1254(2) 0.0235 1.0000 Uani . U . . . .
C70 C 1.4360(4) 0.9184(4) 0.0556(3) 0.0441 1.0000 Uani . U . . . .
C74 C 1.4423(4) 0.7979(4) 0.2762(3) 0.0448 1.0000 Uani . U . . . .
C78 C 1.0404(3) 0.7724(3) 0.1371(2) 0.0237 1.0000 Uani . U . . . .
C79 C 1.0111(4) 0.7051(3) 0.1669(2) 0.0277 1.0000 Uani . U . . . .
C80 C 0.9663(4) 0.6294(3) 0.1234(3) 0.0382 1.0000 Uani . U . . . .
C81 C 0.9502(4) 0.6166(3) 0.0465(3) 0.0361 1.0000 Uani . U . . . .
C82 C 0.9798(4) 0.6823(3) 0.0155(3) 0.0325 1.0000 Uani . U . . . .
C83 C 1.0238(3) 0.7578(3) 0.0591(2) 0.0258 1.0000 Uani . U . . . .
C84 C 0.9685(4) 0.6702(3) -0.0682(3) 0.0490 1.0000 Uani D U . . . .
C88 C 0.9368(5) 0.5610(3) 0.1599(3) 0.0609 1.0000 Uani D U . . . .
C92 C 1.0756(3) 0.9325(3) 0.1576(2) 0.0226 1.0000 Uani . U . . . .
C93 C 0.9764(3) 0.9241(3) 0.1206(2) 0.0254 1.0000 Uani . U . . . .
C94 C 0.9496(4) 0.9882(3) 0.1024(2) 0.0290 1.0000 Uani . U . . . .
C95 C 1.0211(4) 1.0636(3) 0.1204(3) 0.0357 1.0000 Uani . U . . . .
C96 C 1.1200(4) 1.0729(3) 0.1573(3) 0.0367 1.0000 Uani . U . . . .
C97 C 1.1461(4) 1.0091(3) 0.1755(3) 0.0286 1.0000 Uani . U . . . .
C98 C 1.2013(5) 1.1543(3) 0.1782(4) 0.0538 1.0000 Uani . U . . . .
C102 C 0.8414(4) 0.9754(3) 0.0643(3) 0.0379 1.0000 Uani . U . . . .
C106 C 1.2208(4) 0.9905(3) 0.4638(3) 0.0380 1.0000 Uani . U . . . .
C111 C 0.2826(9) 0.6664(7) 0.0179(6) 0.1231 1.0000 Uani . U . . . .
C112 C 0.2424(8) 0.6533(7) 0.0754(6) 0.1131 1.0000 Uani . U . . . .
C113 C 0.2515(8) 0.6002(7) 0.1053(6) 0.1208 1.0000 Uani . U . . . .
C115 C 0.3043(8) 0.5490(7) 0.0791(6) 0.1227 1.0000 Uani . U . . . .
C116 C 0.3449(8) 0.5603(7) 0.0188(7) 0.1377 1.0000 Uani . U . . . .
C117 C 0.3398(8) 0.6183(8) -0.0153(7) 0.1428 1.0000 Uani . U . . . .
B1 B 1.1053(4) 0.8605(3) 0.1872(3) 0.0233 1.0000 Uani . U . . . .
H51 H 0.6114 0.6162 0.0729 0.1181 0.5000 Uiso . . . . . .
H52 H 0.5622 0.6851 0.1028 0.1181 0.5000 Uiso . . . . . .
H71 H 0.4445 0.7688 0.4493 0.0304 1.0000 Uiso . . . . . .
H81 H 0.6034 0.7609 0.4133 0.0339 1.0000 Uiso . . . . . .
H91 H 0.6961 0.6881 0.4676 0.0357 1.0000 Uiso . . . . . .
H101 H 0.6255 0.6245 0.5580 0.0309 1.0000 Uiso . . . . . .
H121 H 0.6902 0.7302 0.2084 0.1171 0.5000 Uiso . . . . . .
H122 H 0.7500 0.6699 0.1742 0.1172 0.5000 Uiso . . . . . .
H131 H 0.6629 0.6788 -0.0539 0.1551 0.5000 Uiso . . . . . .
H132 H 0.6665 0.7679 -0.0333 0.1550 0.5000 Uiso . . . . . .
H133 H 0.5719 0.7030 -0.0184 0.1546 0.5000 Uiso . . . . . .
H151 H 0.4805 0.4647 0.6135 0.0334 1.0000 Uiso . . . . . .
H161 H 0.6046 0.4190 0.6748 0.0409 1.0000 Uiso . . . . . .
H171 H 0.7296 0.5055 0.7707 0.0494 1.0000 Uiso . . . . . .
H181 H 0.7300 0.6359 0.8096 0.0583 1.0000 Uiso . . . . . .
H191 H 0.6065 0.6820 0.7502 0.0424 1.0000 Uiso . . . . . .
H211 H 0.3303 0.5345 0.4822 0.0313 1.0000 Uiso . . . . . .
H221 H 0.1863 0.4228 0.4362 0.0373 1.0000 Uiso . . . . . .
H231 H 0.0953 0.3555 0.5186 0.0403 1.0000 Uiso . . . . . .
H241 H 0.1464 0.3962 0.6441 0.0369 1.0000 Uiso . . . . . .
H251 H 0.2937 0.5068 0.6935 0.0325 1.0000 Uiso . . . . . .
H261 H 0.2971 0.6545 0.4007 0.0262 1.0000 Uiso . . . . . .
H271 H 0.1671 0.6642 0.3165 0.0267 1.0000 Uiso . . . . . .
H281 H 0.0423 0.7250 0.3591 0.0281 1.0000 Uiso . . . . . .
H291 H 0.0427 0.7685 0.4854 0.0253 1.0000 Uiso . . . . . .
H311 H 0.1115 0.5839 0.5580 0.0270 1.0000 Uiso . . . . . .
H321 H -0.0046 0.4732 0.5856 0.0324 1.0000 Uiso . . . . . .
H331 H -0.1057 0.4890 0.6821 0.0361 1.0000 Uiso . . . . . .
H341 H -0.0950 0.6154 0.7471 0.0385 1.0000 Uiso . . . . . .
H351 H 0.0179 0.7282 0.7176 0.0301 1.0000 Uiso . . . . . .
H371 H 0.2559 0.9159 0.6983 0.0349 1.0000 Uiso . . . . . .
H381 H 0.1844 1.0208 0.7297 0.0444 1.0000 Uiso . . . . . .
H391 H 0.0042 0.9986 0.6962 0.0462 1.0000 Uiso . . . . . .
H401 H -0.1015 0.8777 0.6273 0.0452 1.0000 Uiso . . . . . .
H411 H -0.0323 0.7717 0.5978 0.0360 1.0000 Uiso . . . . . .
H421 H 0.7639 0.7097 0.0542 0.1200 0.5000 Uiso . . . . . .
H422 H 0.7189 0.7786 0.0873 0.1201 0.5000 Uiso . . . . . .
H431 H 0.3617 0.9255 0.5922 0.0506 1.0000 Uiso . . . . . .
H432 H 0.4256 0.8791 0.5410 0.0513 1.0000 Uiso . . . . . .
H433 H 0.4854 0.9623 0.5964 0.0510 1.0000 Uiso . . . . . .
H441 H 0.5258 0.9923 0.7338 0.0629 1.0000 Uiso . . . . . .
H442 H 0.5149 0.9314 0.7853 0.0631 1.0000 Uiso . . . . . .
H443 H 0.4157 0.9565 0.7601 0.0628 1.0000 Uiso . . . . . .
H451 H 0.5978 0.8312 0.6979 0.0561 1.0000 Uiso . . . . . .
H452 H 0.6310 0.9073 0.6641 0.0559 1.0000 Uiso . . . . . .
H453 H 0.5825 0.8222 0.6102 0.0561 1.0000 Uiso . . . . . .
H471 H 0.2253 0.6642 0.8450 0.0453 1.0000 Uiso . . . . . .
H472 H 0.2824 0.6240 0.7840 0.0450 1.0000 Uiso . . . . . .
H473 H 0.1736 0.6359 0.7612 0.0451 1.0000 Uiso . . . . . .
H481 H 0.2764 0.8748 0.8298 0.0466 1.0000 Uiso . . . . . .
H482 H 0.2322 0.8102 0.8756 0.0468 1.0000 Uiso . . . . . .
H483 H 0.1691 0.8089 0.7997 0.0471 1.0000 Uiso . . . . . .
H491 H 0.4746 0.7507 0.8207 0.0509 1.0000 Uiso . . . . . .
H492 H 0.4146 0.7690 0.8892 0.0509 1.0000 Uiso . . . . . .
H493 H 0.4685 0.8370 0.8494 0.0509 1.0000 Uiso . . . . . .
H581 H 1.0183 0.9173 0.4717 0.0353 1.0000 Uiso . . . . . .
H601 H 1.2249 0.9433 0.3225 0.0262 1.0000 Uiso . . . . . .
H621 H 0.9260 0.8085 0.2539 0.0299 1.0000 Uiso . . . . . .
H651 H 1.2532 0.8123 0.2687 0.0295 1.0000 Uiso . . . . . .
H671 H 1.5030 0.8508 0.1576 0.0324 1.0000 Uiso . . . . . .
H691 H 1.2487 0.9130 0.0922 0.0267 1.0000 Uiso . . . . . .
H791 H 1.0224 0.7111 0.2189 0.0331 1.0000 Uiso . . . . . .
H811 H 0.9204 0.5645 0.0168 0.0423 1.0000 Uiso . . . . . .
H831 H 1.0443 0.8019 0.0365 0.0301 1.0000 Uiso . . . . . .
H931 H 0.9261 0.8729 0.1068 0.0299 1.0000 Uiso . . . . . .
H951 H 1.0030 1.1067 0.1070 0.0424 1.0000 Uiso . . . . . .
H971 H 1.2140 1.0177 0.2006 0.0338 1.0000 Uiso . . . . . .
H1121 H 0.2028 0.6877 0.0968 0.1404 1.0000 Uiso . . . . . .
H1151 H 0.3125 0.5106 0.1036 0.1442 1.0000 Uiso . . . . . .
H1161 H 0.3837 0.5227 -0.0027 0.1523 1.0000 Uiso . . . . . .
H1171 H 0.3765 0.6253 -0.0580 0.1713 1.0000 Uiso . . . . . .
O1 O 0.4174(2) 0.67977(17) 0.68725(16) 0.0228 1.0000 Uani . . . . . .
H21 H 0.6485 0.6184 0.2627 0.1148 0.5000 Uiso . . . . . .
H22 H 0.5473 0.6215 0.2182 0.1148 0.5000 Uiso . . . . . .
H1111 H 0.2751 0.7093 -0.0028 0.1407 0.5000 Uiso . . . . . .
H1131 H 0.2210 0.5945 0.1505 0.1410 0.5000 Uiso . . . . . .
C46 C 0.5903(13) 0.5306(8) 0.1705(9) 0.0831 0.5000 Uani D U . . . .
H461 H 0.5466 0.4936 0.1942 0.0989 0.5000 Uiso . . . . . .
H462 H 0.6537 0.5173 0.1642 0.0989 0.5000 Uiso . . . . . .
H463 H 0.5538 0.5249 0.1219 0.0989 0.5000 Uiso . . . . . .

_refine_ls_extinction_method     None
_oxford_refine_ls_scale          0.08647(3)
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Co1 . P1 . 2.1755(11) yes
Co1 . P2 . 3.0814(12) yes
Co1 . P3 . 2.2662(12) yes
Co1 . P4 . 2.2279(12) yes
Co1 . C1 . 1.930(4) yes
Co1 . O1 . 2.010(3) yes
P1 . C3 . 1.807(4) yes
P1 . C30 . 1.842(4) yes
P1 . C36 . 1.825(4) yes
P2 . C11 . 1.778(4) yes
P2 . C14 . 1.797(4) yes
P2 . C20 . 1.799(4) yes
P2 . O1 . 1.514(3) yes
P3 . C47 . 1.830(5) yes
P3 . C48 . 1.822(5) yes
P3 . C49 . 1.829(5) yes
P4 . C43 . 1.828(5) yes
P4 . C44 . 1.835(5) yes
P4 . C45 . 1.828(5) yes
F1 . C113 . 1.479(17) yes
F2 . C111 . 1.403(18) yes
F53 . C54 . 1.321(6) yes
F55 . C54 . 1.333(6) yes
F56 . C54 . 1.343(6) yes
F71 . C70 . 1.321(6) yes
F72 . C70 . 1.317(7) yes
F73 . C70 . 1.308(7) yes
F75 . C74 . 1.335(7) yes
F76 . C74 . 1.320(6) yes
F77 . C74 . 1.329(7) yes
F99 . C98 . 1.333(8) yes
F100 . C98 . 1.344(8) yes
F101 . C98 . 1.304(7) yes
F103 . C102 . 1.321(6) yes
F104 . C102 . 1.340(6) yes
F105 . C102 . 1.345(6) yes
F107 . C106 . 1.353(7) yes
F108 . C106 . 1.332(6) yes
F109 . C106 . 1.338(6) yes
F850 . C84 . 1.350(8) yes
F851 . C84 . 1.315(7) yes
F860 . C84 . 1.298(8) yes
F861 . C84 . 1.341(6) yes
F870 . C84 . 1.342(8) yes
F871 . C84 . 1.331(7) yes
F890 . C88 . 1.328(8) yes
F891 . C88 . 1.309(7) yes
F900 . C88 . 1.282(8) yes
F901 . C88 . 1.385(7) yes
F910 . C88 . 1.396(8) yes
F911 . C88 . 1.316(7) yes
C1 . C4 . 1.464(5) yes
C1 . C6 . 1.477(5) yes
C2 . C12 . 1.553(9) yes
C2 . H21 . 0.942 no
C2 . H22 . 0.922 no
C2 . C46 . 1.548(10) yes
C3 . C4 . 1.418(5) yes
C3 . C29 . 1.392(5) yes
C4 . C26 . 1.414(5) yes
C5 . C12 . 1.549(9) yes
C5 . C42 . 1.556(9) yes
C5 . H51 . 0.909 no
C5 . H52 . 0.995 no
C6 . C7 . 1.407(6) yes
C6 . C11 . 1.424(6) yes
C7 . C8 . 1.386(6) yes
C7 . H71 . 0.944 no
C8 . C9 . 1.396(7) yes
C8 . H81 . 0.951 no
C9 . C10 . 1.387(6) yes
C9 . H91 . 0.941 no
C10 . C11 . 1.395(6) yes
C10 . H101 . 0.928 no
C12 . H121 . 1.050 no
C12 . H122 . 0.909 no
C13 . C42 . 1.562(10) yes
C13 . H131 . 1.084 no
C13 . H132 . 0.917 no
C13 . H133 . 0.817 no
C14 . C15 . 1.392(6) yes
C14 . C19 . 1.398(6) yes
C15 . C16 . 1.397(6) yes
C15 . H151 . 0.953 no
C16 . C17 . 1.380(7) yes
C16 . H161 . 0.948 no
C17 . C18 . 1.377(8) yes
C17 . H171 . 0.952 no
C18 . C19 . 1.387(7) yes
C18 . H181 . 0.959 no
C19 . H191 . 0.961 no
C20 . C21 . 1.403(6) yes
C20 . C25 . 1.397(6) yes
C21 . C22 . 1.389(6) yes
C21 . H211 . 0.957 no
C22 . C23 . 1.384(7) yes
C22 . H221 . 0.945 no
C23 . C24 . 1.379(7) yes
C23 . H231 . 0.930 no
C24 . C25 . 1.392(6) yes
C24 . H241 . 0.938 no
C25 . H251 . 0.967 no
C26 . C27 . 1.381(6) yes
C26 . H261 . 0.936 no
C27 . C28 . 1.397(6) yes
C27 . H271 . 0.956 no
C28 . C29 . 1.389(6) yes
C28 . H281 . 0.934 no
C29 . H291 . 0.945 no
C30 . C31 . 1.395(6) yes
C30 . C35 . 1.409(6) yes
C31 . C32 . 1.394(6) yes
C31 . H311 . 0.946 no
C32 . C33 . 1.399(7) yes
C32 . H321 . 0.953 no
C33 . C34 . 1.379(7) yes
C33 . H331 . 0.945 no
C34 . C35 . 1.397(6) yes
C34 . H341 . 0.941 no
C35 . H351 . 0.955 no
C36 . C37 . 1.397(6) yes
C36 . C41 . 1.402(6) yes
C37 . C38 . 1.401(6) yes
C37 . H371 . 0.954 no
C38 . C39 . 1.382(8) yes
C38 . H381 . 0.963 no
C39 . C40 . 1.376(8) yes
C39 . H391 . 0.936 no
C40 . C41 . 1.392(6) yes
C40 . H401 . 0.950 no
C41 . H411 . 0.954 no
C42 . H421 . 0.979 no
C42 . H422 . 1.012 no
C43 . H431 . 0.978 no
C43 . H432 . 0.976 no
C43 . H433 . 0.968 no
C44 . H441 . 0.969 no
C44 . H442 . 0.992 no
C44 . H443 . 0.947 no
C45 . H451 . 0.974 no
C45 . H452 . 0.963 no
C45 . H453 . 0.978 no
C47 . H471 . 0.975 no
C47 . H472 . 0.967 no
C47 . H473 . 0.959 no
C48 . H481 . 0.968 no
C48 . H482 . 0.966 no
C48 . H483 . 0.980 no
C49 . H491 . 0.973 no
C49 . H492 . 0.975 no
C49 . H493 . 0.973 no
C54 . C57 . 1.496(6) yes
C57 . C58 . 1.386(7) yes
C57 . C62 . 1.404(6) yes
C58 . C59 . 1.397(7) yes
C58 . H581 . 0.954 no
C59 . C60 . 1.392(6) yes
C59 . C106 . 1.493(7) yes
C60 . C61 . 1.400(6) yes
C60 . H601 . 0.936 no
C61 . C62 . 1.412(6) yes
C61 . B1 . 1.638(6) yes
C62 . H621 . 0.938 no
C64 . C65 . 1.402(6) yes
C64 . C69 . 1.405(6) yes
C64 . B1 . 1.654(6) yes
C65 . C66 . 1.392(6) yes
C65 . H651 . 0.950 no
C66 . C67 . 1.387(6) yes
C66 . C74 . 1.504(6) yes
C67 . C68 . 1.393(6) yes
C67 . H671 . 0.925 no
C68 . C69 . 1.387(6) yes
C68 . C70 . 1.498(6) yes
C69 . H691 . 0.952 no
C78 . C79 . 1.401(6) yes
C78 . C83 . 1.409(6) yes
C78 . B1 . 1.638(6) yes
C79 . C80 . 1.387(6) yes
C79 . H791 . 0.944 no
C80 . C81 . 1.391(7) yes
C80 . C88 . 1.493(7) yes
C81 . C82 . 1.389(7) yes
C81 . H811 . 0.952 no
C82 . C83 . 1.383(6) yes
C82 . C84 . 1.516(7) yes
C83 . H831 . 0.952 no
C92 . C93 . 1.402(6) yes
C92 . C97 . 1.399(6) yes
C92 . B1 . 1.639(6) yes
C93 . C94 . 1.397(6) yes
C93 . H931 . 0.952 no
C94 . C95 . 1.388(7) yes
C94 . C102 . 1.498(6) yes
C95 . C96 . 1.393(7) yes
C95 . H951 . 0.949 no
C96 . C97 . 1.389(6) yes
C96 . C98 . 1.521(7) yes
C97 . H971 . 0.945 no
C111 . C112 . 1.261(16) yes
C111 . C117 . 1.400(17) yes
C111 . H1111 . 0.954 no
C112 . C113 . 1.225(15) yes
C112 . H1121 . 0.973 no
C113 . C115 . 1.356(16) yes
C113 . H1131 . 0.969 no
C115 . C116 . 1.306(16) yes
C115 . H1151 . 0.924 no
C116 . C117 . 1.338(17) yes
C116 . H1161 . 1.006 no
C117 . H1171 . 0.973 no
C46 . H461 . 0.956 no
C46 . H462 . 0.953 no
C46 . H463 . 0.965 no
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
P1 . Co1 . P2 . 134.24(4) yes
P1 . Co1 . P3 . 95.83(4) yes
P2 . Co1 . P3 . 101.60(4) yes
P1 . Co1 . P4 . 107.99(5) yes
P2 . Co1 . P4 . 109.88(4) yes
P3 . Co1 . P4 . 100.40(5) yes
P1 . Co1 . C1 . 84.24(12) yes
P2 . Co1 . C1 . 68.91(12) yes
P3 . Co1 . C1 . 165.42(13) yes
P4 . Co1 . C1 . 93.40(12) yes
P1 . Co1 . O1 . 147.61(9) yes
P2 . Co1 . O1 . 24.82(8) yes
P3 . Co1 . O1 . 78.94(9) yes
P4 . Co1 . O1 . 104.39(9) yes
C1 . Co1 . O1 . 93.17(15) yes
Co1 . P1 . C3 . 104.55(13) yes
Co1 . P1 . C30 . 108.63(13) yes
C3 . P1 . C30 . 104.45(18) yes
Co1 . P1 . C36 . 129.25(15) yes
C3 . P1 . C36 . 105.02(18) yes
C30 . P1 . C36 . 102.64(19) yes
Co1 . P2 . C11 . 86.83(14) yes
Co1 . P2 . C14 . 142.72(15) yes
C11 . P2 . C14 . 109.84(19) yes
Co1 . P2 . C20 . 99.01(13) yes
C11 . P2 . C20 . 108.72(19) yes
C14 . P2 . C20 . 106.14(19) yes
Co1 . P2 . O1 . 33.87(11) yes
C11 . P2 . O1 . 108.75(18) yes
C14 . P2 . O1 . 109.30(18) yes
C20 . P2 . O1 . 114.02(17) yes
Co1 . P3 . C47 . 110.59(15) yes
Co1 . P3 . C48 . 123.92(16) yes
C47 . P3 . C48 . 102.8(2) yes
Co1 . P3 . C49 . 114.31(16) yes
C47 . P3 . C49 . 100.6(2) yes
C48 . P3 . C49 . 101.6(2) yes
Co1 . P4 . C43 . 115.99(16) yes
Co1 . P4 . C44 . 123.23(18) yes
C43 . P4 . C44 . 100.7(2) yes
Co1 . P4 . C45 . 111.67(17) yes
C43 . P4 . C45 . 103.3(2) yes
C44 . P4 . C45 . 99.1(2) yes
Co1 . C1 . C4 . 122.1(3) yes
Co1 . C1 . C6 . 120.9(3) yes
C4 . C1 . C6 . 115.6(3) yes
C12 . C2 . H21 . 111.2 no
C12 . C2 . H22 . 113.9 no
H21 . C2 . H22 . 112.6 no
C12 . C2 . C46 . 109.51(10) yes
H21 . C2 . C46 . 106.5 no
H22 . C2 . C46 . 102.4 no
P1 . C3 . C4 . 110.6(3) yes
P1 . C3 . C29 . 128.1(3) yes
C4 . C3 . C29 . 121.3(4) yes
C1 . C4 . C3 . 117.1(3) yes
C1 . C4 . C26 . 126.1(4) yes
C3 . C4 . C26 . 116.8(3) yes
C12 . C5 . C42 . 109.61(10) yes
C12 . C5 . H51 . 107.0 no
C42 . C5 . H51 . 109.8 no
C12 . C5 . H52 . 110.2 no
C42 . C5 . H52 . 106.5 no
H51 . C5 . H52 . 113.6 no
C1 . C6 . C7 . 121.8(4) yes
C1 . C6 . C11 . 122.2(4) yes
C7 . C6 . C11 . 115.8(4) yes
C6 . C7 . C8 . 122.1(4) yes
C6 . C7 . H71 . 119.3 no
C8 . C7 . H71 . 118.6 no
C7 . C8 . C9 . 121.0(4) yes
C7 . C8 . H81 . 119.6 no
C9 . C8 . H81 . 119.3 no
C8 . C9 . C10 . 118.6(4) yes
C8 . C9 . H91 . 121.2 no
C10 . C9 . H91 . 120.2 no
C9 . C10 . C11 . 120.6(4) yes
C9 . C10 . H101 . 119.9 no
C11 . C10 . H101 . 119.6 no
C6 . C11 . P2 . 115.2(3) yes
C6 . C11 . C10 . 121.9(4) yes
P2 . C11 . C10 . 122.7(3) yes
C5 . C12 . C2 . 109.47(10) yes
C5 . C12 . H121 . 108.5 no
C2 . C12 . H121 . 102.9 no
C5 . C12 . H122 . 113.6 no
C2 . C12 . H122 . 113.4 no
H121 . C12 . H122 . 108.3 no
C42 . C13 . H131 . 96.7 no
C42 . C13 . H132 . 107.9 no
H131 . C13 . H132 . 102.8 no
C42 . C13 . H133 . 110.0 no
H131 . C13 . H133 . 108.8 no
H132 . C13 . H133 . 126.3 no
P2 . C14 . C15 . 122.1(3) yes
P2 . C14 . C19 . 118.6(3) yes
C15 . C14 . C19 . 119.4(4) yes
C14 . C15 . C16 . 119.9(4) yes
C14 . C15 . H151 . 119.1 no
C16 . C15 . H151 . 121.0 no
C15 . C16 . C17 . 119.9(4) yes
C15 . C16 . H161 . 119.9 no
C17 . C16 . H161 . 120.1 no
C16 . C17 . C18 . 120.6(4) yes
C16 . C17 . H171 . 119.8 no
C18 . C17 . H171 . 119.5 no
C17 . C18 . C19 . 120.0(5) yes
C17 . C18 . H181 . 120.1 no
C19 . C18 . H181 . 119.9 no
C14 . C19 . C18 . 120.2(5) yes
C14 . C19 . H191 . 119.9 no
C18 . C19 . H191 . 119.8 no
P2 . C20 . C21 . 121.8(3) yes
P2 . C20 . C25 . 118.7(3) yes
C21 . C20 . C25 . 119.4(4) yes
C20 . C21 . C22 . 120.3(4) yes
C20 . C21 . H211 . 120.5 no
C22 . C21 . H211 . 119.3 no
C21 . C22 . C23 . 119.4(4) yes
C21 . C22 . H221 . 119.9 no
C23 . C22 . H221 . 120.6 no
C22 . C23 . C24 . 121.0(4) yes
C22 . C23 . H231 . 120.3 no
C24 . C23 . H231 . 118.7 no
C23 . C24 . C25 . 120.0(4) yes
C23 . C24 . H241 . 119.7 no
C25 . C24 . H241 . 120.2 no
C20 . C25 . C24 . 119.8(4) yes
C20 . C25 . H251 . 119.9 no
C24 . C25 . H251 . 120.3 no
C4 . C26 . C27 . 121.1(4) yes
C4 . C26 . H261 . 118.9 no
C27 . C26 . H261 . 120.0 no
C26 . C27 . C28 . 120.9(4) yes
C26 . C27 . H271 . 119.3 no
C28 . C27 . H271 . 119.8 no
C27 . C28 . C29 . 119.3(4) yes
C27 . C28 . H281 . 120.6 no
C29 . C28 . H281 . 120.0 no
C3 . C29 . C28 . 120.1(4) yes
C3 . C29 . H291 . 120.4 no
C28 . C29 . H291 . 119.4 no
P1 . C30 . C31 . 120.2(3) yes
P1 . C30 . C35 . 120.1(3) yes
C31 . C30 . C35 . 119.3(4) yes
C30 . C31 . C32 . 120.4(4) yes
C30 . C31 . H311 . 120.1 no
C32 . C31 . H311 . 119.5 no
C31 . C32 . C33 . 120.0(4) yes
C31 . C32 . H321 . 119.6 no
C33 . C32 . H321 . 120.3 no
C32 . C33 . C34 . 119.7(4) yes
C32 . C33 . H331 . 119.3 no
C34 . C33 . H331 . 121.0 no
C33 . C34 . C35 . 121.0(4) yes
C33 . C34 . H341 . 119.5 no
C35 . C34 . H341 . 119.6 no
C30 . C35 . C34 . 119.5(4) yes
C30 . C35 . H351 . 119.2 no
C34 . C35 . H351 . 121.3 no
P1 . C36 . C37 . 120.0(3) yes
P1 . C36 . C41 . 121.1(3) yes
C37 . C36 . C41 . 118.8(4) yes
C36 . C37 . C38 . 120.1(5) yes
C36 . C37 . H371 . 119.5 no
C38 . C37 . H371 . 120.4 no
C37 . C38 . C39 . 120.1(5) yes
C37 . C38 . H381 . 119.0 no
C39 . C38 . H381 . 120.9 no
C38 . C39 . C40 . 120.3(4) yes
C38 . C39 . H391 . 120.0 no
C40 . C39 . H391 . 119.8 no
C39 . C40 . C41 . 120.4(5) yes
C39 . C40 . H401 . 119.4 no
C41 . C40 . H401 . 120.3 no
C36 . C41 . C40 . 120.3(4) yes
C36 . C41 . H411 . 120.0 no
C40 . C41 . H411 . 119.7 no
C5 . C42 . C13 . 109.43(10) yes
C5 . C42 . H421 . 107.9 no
C13 . C42 . H421 . 118.5 no
C5 . C42 . H422 . 108.0 no
C13 . C42 . H422 . 108.1 no
H421 . C42 . H422 . 104.4 no
P4 . C43 . H431 . 108.0 no
P4 . C43 . H432 . 109.9 no
H431 . C43 . H432 . 109.6 no
P4 . C43 . H433 . 108.8 no
H431 . C43 . H433 . 109.5 no
H432 . C43 . H433 . 110.9 no
P4 . C44 . H441 . 108.9 no
P4 . C44 . H442 . 107.1 no
H441 . C44 . H442 . 106.8 no
P4 . C44 . H443 . 112.4 no
H441 . C44 . H443 . 111.8 no
H442 . C44 . H443 . 109.6 no
P4 . C45 . H451 . 107.5 no
P4 . C45 . H452 . 110.4 no
H451 . C45 . H452 . 109.9 no
P4 . C45 . H453 . 109.4 no
H451 . C45 . H453 . 109.5 no
H452 . C45 . H453 . 110.1 no
P3 . C47 . H471 . 109.5 no
P3 . C47 . H472 . 109.2 no
H471 . C47 . H472 . 109.4 no
P3 . C47 . H473 . 110.2 no
H471 . C47 . H473 . 109.3 no
H472 . C47 . H473 . 109.2 no
P3 . C48 . H481 . 111.2 no
P3 . C48 . H482 . 110.0 no
H481 . C48 . H482 . 109.7 no
P3 . C48 . H483 . 110.3 no
H481 . C48 . H483 . 107.1 no
H482 . C48 . H483 . 108.6 no
P3 . C49 . H491 . 109.6 no
P3 . C49 . H492 . 110.7 no
H491 . C49 . H492 . 108.6 no
P3 . C49 . H493 . 111.4 no
H491 . C49 . H493 . 108.1 no
H492 . C49 . H493 . 108.4 no
F56 . C54 . F55 . 105.3(4) yes
F56 . C54 . F53 . 105.8(4) yes
F55 . C54 . F53 . 106.8(5) yes
F56 . C54 . C57 . 112.4(5) yes
F55 . C54 . C57 . 112.6(4) yes
F53 . C54 . C57 . 113.3(4) yes
C54 . C57 . C58 . 120.5(4) yes
C54 . C57 . C62 . 118.1(4) yes
C58 . C57 . C62 . 121.3(4) yes
C57 . C58 . C59 . 117.9(4) yes
C57 . C58 . H581 . 121.1 no
C59 . C58 . H581 . 121.1 no
C58 . C59 . C60 . 120.7(4) yes
C58 . C59 . C106 . 120.4(4) yes
C60 . C59 . C106 . 118.9(4) yes
C59 . C60 . C61 . 122.9(4) yes
C59 . C60 . H601 . 118.4 no
C61 . C60 . H601 . 118.7 no
C60 . C61 . C62 . 115.6(4) yes
C60 . C61 . B1 . 121.9(4) yes
C62 . C61 . B1 . 122.1(4) yes
C61 . C62 . C57 . 121.6(4) yes
C61 . C62 . H621 . 118.4 no
C57 . C62 . H621 . 120.0 no
C65 . C64 . C69 . 115.3(4) yes
C65 . C64 . B1 . 122.7(4) yes
C69 . C64 . B1 . 121.7(4) yes
C64 . C65 . C66 . 122.5(4) yes
C64 . C65 . H651 . 119.7 no
C66 . C65 . H651 . 117.7 no
C65 . C66 . C67 . 121.1(4) yes
C65 . C66 . C74 . 119.1(4) yes
C67 . C66 . C74 . 119.8(4) yes
C66 . C67 . C68 . 117.5(4) yes
C66 . C67 . H671 . 120.5 no
C68 . C67 . H671 . 122.0 no
C67 . C68 . C69 . 121.3(4) yes
C67 . C68 . C70 . 119.3(4) yes
C69 . C68 . C70 . 119.3(4) yes
C64 . C69 . C68 . 122.4(4) yes
C64 . C69 . H691 . 118.7 no
C68 . C69 . H691 . 118.9 no
C68 . C70 . F71 . 112.9(4) yes
C68 . C70 . F72 . 111.8(5) yes
F71 . C70 . F72 . 104.2(5) yes
C68 . C70 . F73 . 114.1(5) yes
F71 . C70 . F73 . 104.4(5) yes
F72 . C70 . F73 . 108.7(5) yes
C66 . C74 . F75 . 112.6(5) yes
C66 . C74 . F77 . 112.0(5) yes
F75 . C74 . F77 . 104.7(4) yes
C66 . C74 . F76 . 113.4(4) yes
F75 . C74 . F76 . 105.4(5) yes
F77 . C74 . F76 . 108.2(5) yes
C79 . C78 . C83 . 115.1(4) yes
C79 . C78 . B1 . 123.0(4) yes
C83 . C78 . B1 . 121.2(4) yes
C78 . C79 . C80 . 123.0(4) yes
C78 . C79 . H791 . 118.9 no
C80 . C79 . H791 . 118.1 no
C79 . C80 . C81 . 120.7(5) yes
C79 . C80 . C88 . 119.4(4) yes
C81 . C80 . C88 . 119.9(4) yes
C80 . C81 . C82 . 117.4(4) yes
C80 . C81 . H811 . 120.5 no
C82 . C81 . H811 . 122.1 no
C81 . C82 . C83 . 121.7(4) yes
C81 . C82 . C84 . 118.8(4) yes
C83 . C82 . C84 . 119.4(4) yes
C78 . C83 . C82 . 122.0(4) yes
C78 . C83 . H831 . 117.8 no
C82 . C83 . H831 . 120.2 no
C82 . C84 . F850 . 112.7(5) yes
C82 . C84 . F870 . 112.4(5) yes
F850 . C84 . F870 . 98.9(8) yes
C82 . C84 . F860 . 112.4(5) yes
F850 . C84 . F860 . 104.1(7) yes
F870 . C84 . F860 . 115.2(8) yes
C82 . C84 . F861 . 112.8(5) yes
C82 . C84 . F871 . 112.2(4) yes
F861 . C84 . F871 . 105.7(5) yes
C82 . C84 . F851 . 112.5(5) yes
F861 . C84 . F851 . 107.3(5) yes
F871 . C84 . F851 . 105.8(6) yes
C80 . C88 . F910 . 109.8(5) yes
C80 . C88 . F890 . 113.3(6) yes
F910 . C88 . F890 . 103.0(8) yes
C80 . C88 . F900 . 115.4(5) yes
F910 . C88 . F900 . 90.8(8) yes
F890 . C88 . F900 . 120.5(8) yes
C80 . C88 . F901 . 109.9(5) yes
C80 . C88 . F911 . 114.7(5) yes
F901 . C88 . F911 . 99.3(6) yes
C80 . C88 . F891 . 115.4(5) yes
F901 . C88 . F891 . 107.5(6) yes
F911 . C88 . F891 . 108.6(6) yes
C93 . C92 . C97 . 116.0(4) yes
C93 . C92 . B1 . 123.1(4) yes
C97 . C92 . B1 . 120.5(4) yes
C92 . C93 . C94 . 122.0(4) yes
C92 . C93 . H931 . 119.0 no
C94 . C93 . H931 . 119.0 no
C93 . C94 . C95 . 120.9(4) yes
C93 . C94 . C102 . 119.3(4) yes
C95 . C94 . C102 . 119.7(4) yes
C94 . C95 . C96 . 117.7(4) yes
C94 . C95 . H951 . 120.6 no
C96 . C95 . H951 . 121.6 no
C95 . C96 . C97 . 121.2(4) yes
C95 . C96 . C98 . 119.9(4) yes
C97 . C96 . C98 . 118.9(4) yes
C92 . C97 . C96 . 122.1(4) yes
C92 . C97 . H971 . 119.1 no
C96 . C97 . H971 . 118.8 no
C96 . C98 . F100 . 110.3(6) yes
C96 . C98 . F99 . 113.3(5) yes
F100 . C98 . F99 . 103.8(5) yes
C96 . C98 . F101 . 113.2(5) yes
F100 . C98 . F101 . 111.1(6) yes
F99 . C98 . F101 . 104.6(6) yes
C94 . C102 . F105 . 112.5(4) yes
C94 . C102 . F104 . 112.2(4) yes
F105 . C102 . F104 . 105.5(4) yes
C94 . C102 . F103 . 113.2(4) yes
F105 . C102 . F103 . 106.2(4) yes
F104 . C102 . F103 . 106.8(5) yes
C59 . C106 . F107 . 112.2(4) yes
C59 . C106 . F109 . 112.3(4) yes
F107 . C106 . F109 . 104.0(5) yes
C59 . C106 . F108 . 114.1(4) yes
F107 . C106 . F108 . 106.1(4) yes
F109 . C106 . F108 . 107.3(4) yes
F2 . C111 . C112 . 126.6(15) yes
F2 . C111 . C117 . 113.6(14) yes
C112 . C111 . C117 . 119.7(13) yes
F2 . C111 . H1111 . 6.0 no
C112 . C111 . H1111 . 120.6 no
C117 . C111 . H1111 . 119.6 no
C111 . C112 . C113 . 123.4(14) yes
C111 . C112 . H1121 . 117.5 no
C113 . C112 . H1121 . 119.1 no
F1 . C113 . C112 . 119.7(13) yes
F1 . C113 . C115 . 117.0(12) yes
C112 . C113 . C115 . 123.3(13) yes
F1 . C113 . H1131 . 0.6 no
C112 . C113 . H1131 . 119.4 no
C115 . C113 . H1131 . 117.3 no
C113 . C115 . C116 . 114.6(12) yes
C113 . C115 . H1151 . 121.9 no
C116 . C115 . H1151 . 123.5 no
C115 . C116 . C117 . 124.8(14) yes
C115 . C116 . H1161 . 116.8 no
C117 . C116 . H1161 . 118.5 no
C111 . C117 . C116 . 114.2(13) yes
C111 . C117 . H1171 . 125.8 no
C116 . C117 . H1171 . 120.0 no
C64 . B1 . C92 . 112.6(3) yes
C64 . B1 . C78 . 102.9(3) yes
C92 . B1 . C78 . 113.6(3) yes
C64 . B1 . C61 . 111.4(3) yes
C92 . B1 . C61 . 103.9(3) yes
C78 . B1 . C61 . 112.7(3) yes
Co1 . O1 . P2 . 121.31(17) yes
C2 . C46 . H461 . 111.1 no
C2 . C46 . H462 . 111.0 no
H461 . C46 . H462 . 108.7 no
C2 . C46 . H463 . 110.1 no
H461 . C46 . H463 . 107.7 no
H462 . C46 . H463 . 108.0 no



# Manually omitted reflections

loop_
_oxford_refln_omitted_index_h
_oxford_refln_omitted_index_k
_oxford_refln_omitted_index_l
_oxford_refln_omitted_flag
_oxford_refln_omitted_details
-1 0 4 x .
1 -1 4 x .
-1 1 4 x .
-2 0 4 x .
####################################################################### 
# 
# 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_mo_ry_ss_4_4ab_0m
_database_code_depnum_ccdc_archive 'CCDC 1908201'
loop_
_audit_author_name
_audit_author_address
'Rowan Young' 'National University of Singapore'
_audit_update_record             
;
2019-04-05 deposited with the CCDC.	2019-06-05 downloaded from the CCDC.
;
_audit_creation_date             2019-03-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelxl_version_number           2014-3
_chemical_name_common            ?
_chemical_name_systematic        
;
 ?
;
_chemical_formula_moiety         'C62 H50 Co P4, C32 H12 B F24'
_chemical_formula_sum            'C94 H62 B Co F24 P4'
_chemical_formula_weight         1841.05
_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 0.0033 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'
B B 0.0013 0.0007 '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'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.9047(4)
_cell_length_b                   16.5989(6)
_cell_length_c                   19.3561(7)
_cell_angle_alpha                94.1390(10)
_cell_angle_beta                 94.6490(10)
_cell_angle_gamma                95.3480(10)
_cell_volume                     4101.2(2)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9942
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.35
_cell_measurement_theta_min      2.47
_shelx_estimated_absorpt_T_max   0.980
_shelx_estimated_absorpt_T_min   0.855
_exptl_absorpt_coefficient_mu    0.391
_exptl_absorpt_correction_T_max  0.7459
_exptl_absorpt_correction_T_min  0.6365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1320 before and 0.0634 after correction. The Ratio of minimum to maximum transmission is 0.8533. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.491
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.413
_exptl_crystal_size_mid          0.326
_exptl_crystal_size_min          0.052
_exptl_special_details           
;
 ?
;
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0559
_diffrn_reflns_av_unetI/netI     0.0771
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.993
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            62714
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.993
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.615
_diffrn_reflns_theta_min         2.466
_diffrn_ambient_temperature      99.98
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                15655
_reflns_number_total             22911
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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    'XT (Sheldrick, 2015)'
_refine_diff_density_max         1.853
_refine_diff_density_min         -0.903
_refine_diff_density_rms         0.098
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1135
_refine_ls_number_reflns         22911
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1064
_refine_ls_R_factor_gt           0.0693
_refine_ls_restrained_S_all      1.021
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0710P)²+8.1886P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1656
_refine_ls_wR_factor_ref         0.1857
_refine_special_details          
;
 ?
;
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Fixed Sof: F1B(0.5) F2A(0.5) F2B(0.5) F1A(0.5)
3.a Secondary CH2 refined with riding coordinates:
 C50(H50A,H50B)
3.b Aromatic/amide H refined with riding coordinates:
 C64(H64), C68(H68), C88(H88), C92(H92), C4(H4), C66(H66), C84(H84), C7(H7),
 C25(H25), C21(H21), C80(H80), C22(H22), C90(H90), C56(H56), C72(H72), C6(H6),
 C76(H76), C82(H82), C74(H74), C58(H58), C45(H45), C52(H52), C39(H39), C59(H59),
  C55(H55), C23(H23), C24(H24), C61(H61), C60(H60), C15(H15), C62(H62),
 C53(H53), C5(H5), C31(H31), C46(H46), C19(H19), C9(H9), C40(H40), C28(H28),
 C29(H29), C30(H30), C27(H27), C18(H18), C43(H43), C54(H54), C49(H49), C37(H37),
  C17(H17), C10(H10), C33(H33), C47(H47), C35(H35), C41(H41), C16(H16),
 C34(H34), C42(H42), C12(H12), C36(H36), C48(H48), C11(H11)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_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
Co1 Co 0.22945(3) 0.34779(2) 0.73038(2) 0.01889(10) Uani 1 1 d . . . . .
P1 P 0.26274(6) 0.21871(5) 0.73502(4) 0.01878(16) Uani 1 1 d . . . . .
P3 P 0.31562(6) 0.39523(5) 0.83540(4) 0.02127(16) Uani 1 1 d . . . . .
P4 P 0.38316(6) 0.40927(5) 0.70624(4) 0.02037(16) Uani 1 1 d . . . . .
P2 P 0.10101(6) 0.43006(5) 0.73035(4) 0.02179(17) Uani 1 1 d . . . . .
F20 F -0.08791(16) 0.17783(14) 0.08338(11) 0.0366(5) Uani 1 1 d . . . . .
F8 F 0.18938(19) 0.41311(14) 0.10643(11) 0.0407(5) Uani 1 1 d . . . . .
F21 F -0.06304(17) 0.13014(14) -0.01979(10) 0.0380(5) Uani 1 1 d . . . . .
F11 F 0.1935(2) 0.39682(13) 0.44252(11) 0.0426(6) Uani 1 1 d . . . . .
F15 F -0.05955(17) 0.20260(15) 0.40228(13) 0.0461(6) Uani 1 1 d . . . . .
F7 F 0.35501(19) 0.43100(15) 0.12372(12) 0.0471(6) Uani 1 1 d . . . . .
F22 F 0.22244(18) -0.03454(15) -0.05147(11) 0.0436(6) Uani 1 1 d . . . . .
F18 F 0.1841(2) -0.14661(12) 0.31369(12) 0.0428(6) Uani 1 1 d . . . . .
F10 F 0.3080(2) 0.48798(13) 0.41664(11) 0.0471(6) Uani 1 1 d . . . . .
F6 F 0.4944(2) 0.11121(15) 0.46602(10) 0.0461(6) Uani 1 1 d . . . . .
F19 F 0.0183(2) 0.24360(13) 0.02390(13) 0.0484(6) Uani 1 1 d . . . . .
F9 F 0.2631(3) 0.51424(12) 0.17243(12) 0.0555(8) Uani 1 1 d . . . . .
F24 F 0.2834(2) -0.08373(17) 0.04027(13) 0.0549(7) Uani 1 1 d . . . . .
F12 F 0.3534(2) 0.37509(17) 0.45009(12) 0.0575(8) Uani 1 1 d . . . . .
F5 F 0.5313(2) -0.00162(15) 0.42084(12) 0.0564(7) Uani 1 1 d . . . . .
F13 F -0.15551(18) 0.12166(19) 0.33042(15) 0.0622(8) Uani 1 1 d . . . . .
F16 F 0.2048(3) -0.10606(16) 0.42065(14) 0.0688(9) Uani 1 1 d . . . . .
C63 C 0.3710(2) 0.13299(16) 0.26367(14) 0.0155(5) Uani 1 1 d . . . . .
F4 F 0.6475(2) 0.0987(2) 0.43469(14) 0.0780(11) Uani 1 1 d . . . . .
F23 F 0.3640(2) 0.0214(2) 0.00486(17) 0.0813(12) Uani 1 1 d . . . . .
F17 F 0.0537(2) -0.15387(15) 0.3734(2) 0.0779(11) Uani 1 1 d . . . . .
F1B F 0.5916(9) 0.1644(10) 0.1195(5) 0.049(3) Uani 0.5 1 d . . P A 2
C87 C 0.2047(2) 0.11931(16) 0.16610(15) 0.0159(5) Uani 1 1 d . . . . .
F3 F 0.71841(19) 0.1466(3) 0.19467(15) 0.0909(13) Uani 1 1 d . . . . .
C64 C 0.4453(2) 0.13970(17) 0.21512(15) 0.0170(5) Uani 1 1 d . . . . .
H64 H 0.4242 0.1545 0.1700 0.020 Uiso 1 1 calc R . . . .
C68 C 0.4097(2) 0.11501(17) 0.33001(15) 0.0185(6) Uani 1 1 d . . . . .
H68 H 0.3633 0.1114 0.3656 0.022 Uiso 1 1 calc R . . . .
C71 C 0.2517(2) 0.24973(17) 0.25847(15) 0.0164(5) Uani 1 1 d . . . . .
C3 C 0.2449(2) 0.18095(17) 0.64400(15) 0.0188(6) Uani 1 1 d . . . . .
C79 C 0.1718(2) 0.10200(17) 0.29522(14) 0.0157(5) Uani 1 1 d . . . . .
F14 F -0.1170(3) 0.0896(2) 0.43452(18) 0.0841(12) Uani 1 1 d . . . . .
C20 C 0.1682(2) 0.15248(17) 0.77489(15) 0.0190(6) Uani 1 1 d . . . . .
C88 C 0.1152(2) 0.14907(17) 0.13618(15) 0.0177(5) Uani 1 1 d . . . . .
H88 H 0.0814 0.1869 0.1633 0.021 Uiso 1 1 calc R . . . .
C92 C 0.2487(2) 0.06212(18) 0.12389(16) 0.0196(6) Uani 1 1 d . . . . .
H92 H 0.3078 0.0380 0.1422 0.024 Uiso 1 1 calc R . . . .
C2 C 0.1940(2) 0.23486(17) 0.60375(15) 0.0188(6) Uani 1 1 d . . . . .
C4 C 0.2755(3) 0.10956(19) 0.61422(17) 0.0260(7) Uani 1 1 d . . . . .
H4 H 0.3060 0.0722 0.6427 0.031 Uiso 1 1 calc R . . . .
C66 C 0.5842(2) 0.10647(19) 0.29593(16) 0.0222(6) Uani 1 1 d . . . . .
H66 H 0.6548 0.0965 0.3065 0.027 Uiso 1 1 calc R . . . .
C84 C 0.1853(2) 0.02192(17) 0.30946(15) 0.0199(6) Uani 1 1 d . . . . .
H84 H 0.2431 -0.0024 0.2926 0.024 Uiso 1 1 calc R . . . .
C7 C 0.1858(2) 0.21888(19) 0.53131(16) 0.0224(6) Uani 1 1 d . . . . .
H7 H 0.1566 0.2563 0.5023 0.027 Uiso 1 1 calc R . . . .
C25 C 0.0769(3) 0.18213(19) 0.79601(17) 0.0262(7) Uani 1 1 d . . . . .
H25 H 0.0667 0.2377 0.7923 0.031 Uiso 1 1 calc R . . . .
C67 C 0.5132(2) 0.10234(19) 0.34543(16) 0.0218(6) Uani 1 1 d . . . . .
C21 C 0.1811(3) 0.07050(18) 0.78074(16) 0.0226(6) Uani 1 1 d . . . . .
H21 H 0.2427 0.0492 0.7669 0.027 Uiso 1 1 calc R . . . .
C81 C 0.0154(2) 0.08760(19) 0.35799(16) 0.0223(6) Uani 1 1 d . . . . .
C65 C 0.5488(2) 0.12563(17) 0.23028(15) 0.0189(6) Uani 1 1 d . . . . .
C75 C 0.2701(2) 0.37219(17) 0.33765(15) 0.0186(6) Uani 1 1 d . . . . .
C80 C 0.0838(2) 0.13312(18) 0.32017(15) 0.0190(6) Uani 1 1 d . . . . .
H80 H 0.0701 0.1868 0.3111 0.023 Uiso 1 1 calc R . . . .
C14 C 0.3881(3) 0.18439(18) 0.76546(18) 0.0251(7) Uani 1 1 d . . . . .
C83 C 0.1174(3) -0.02324(18) 0.34731(17) 0.0233(6) Uani 1 1 d . . . . .
C73 C 0.2638(2) 0.38544(17) 0.21649(15) 0.0190(6) Uani 1 1 d . . . . .
C22 C 0.1039(3) 0.01997(19) 0.80680(17) 0.0262(7) Uani 1 1 d . . . . .
H22 H 0.1128 -0.0358 0.8102 0.031 Uiso 1 1 calc R . . . .
C90 C 0.1204(2) 0.07097(19) 0.02672(16) 0.0240(6) Uani 1 1 d . . . . .
H90 H 0.0932 0.0557 -0.0199 0.029 Uiso 1 1 calc R . . . .
C56 C 0.4514(3) 0.57809(19) 0.71008(18) 0.0267(7) Uani 1 1 d . . . . .
H56 H 0.4867 0.5736 0.7545 0.032 Uiso 1 1 calc R . . . .
C72 C 0.2555(2) 0.30131(17) 0.20418(15) 0.0177(5) Uani 1 1 d . . . . .
H72 H 0.2523 0.2781 0.1576 0.021 Uiso 1 1 calc R . . . .
C89 C 0.0736(2) 0.12584(18) 0.06858(15) 0.0199(6) Uani 1 1 d . . . . .
C6 C 0.2198(3) 0.1490(2) 0.50191(17) 0.0278(7) Uani 1 1 d . . . . .
H6 H 0.2145 0.1391 0.4527 0.033 Uiso 1 1 calc R . . . .
C76 C 0.2602(2) 0.28847(17) 0.32544(15) 0.0179(5) Uani 1 1 d . . . . .
H76 H 0.2590 0.2562 0.3640 0.022 Uiso 1 1 calc R . . . .
F2A F 0.6025(10) 0.0625(6) 0.1306(6) 0.095(5) Uani 0.5 1 d . . P A 1
C51 C 0.3955(3) 0.51024(18) 0.67386(17) 0.0237(6) Uani 1 1 d . . . . .
C82 C 0.0309(3) 0.0094(2) 0.37207(17) 0.0249(6) Uani 1 1 d . . . . .
H82 H -0.0160 -0.0213 0.3978 0.030 Uiso 1 1 calc R . . . .
C74 C 0.2704(2) 0.42213(18) 0.28310(16) 0.0198(6) Uani 1 1 d . . . . .
H74 H 0.2749 0.4795 0.2914 0.024 Uiso 1 1 calc R . . . .
C58 C 0.4386(3) 0.32247(19) 0.59026(16) 0.0230(6) Uani 1 1 d . . . . .
H58 H 0.3673 0.3235 0.5741 0.028 Uiso 1 1 calc R . . . .
C45 C 0.2641(3) 0.2859(2) 0.93199(18) 0.0297(7) Uani 1 1 d . . . . .
H45 H 0.1954 0.2827 0.9095 0.036 Uiso 1 1 calc R . . . .
B1 B 0.2497(3) 0.15063(19) 0.24604(17) 0.0165(6) Uani 1 1 d . . . . .
C77 C 0.2669(3) 0.43587(19) 0.15510(17) 0.0266(7) Uani 1 1 d . . . . .
C52 C 0.3460(3) 0.5177(2) 0.60775(17) 0.0294(7) Uani 1 1 d . . . . .
H52 H 0.3079 0.4716 0.5824 0.035 Uiso 1 1 calc R . . . .
C38 C 0.2936(3) 0.49057(19) 0.88359(16) 0.0245(6) Uani 1 1 d . . . . .
C57 C 0.4757(2) 0.35992(18) 0.65491(16) 0.0215(6) Uani 1 1 d . . . . .
C39 C 0.3017(3) 0.5629(2) 0.85118(18) 0.0279(7) Uani 1 1 d . . . . .
H39 H 0.3213 0.5627 0.8049 0.033 Uiso 1 1 calc R . . . .
C50 C 0.4406(3) 0.4171(2) 0.79699(16) 0.0247(6) Uani 1 1 d . . . . .
H50A H 0.4751 0.4720 0.8123 0.030 Uiso 1 1 calc R . . . .
H50B H 0.4897 0.3757 0.8057 0.030 Uiso 1 1 calc R . . . .
C91 C 0.2079(2) 0.03943(19) 0.05529(17) 0.0242(6) Uani 1 1 d . . . . .
C59 C 0.5048(3) 0.2834(2) 0.54874(18) 0.0302(7) Uani 1 1 d . . . . .
H59 H 0.4787 0.2580 0.5044 0.036 Uiso 1 1 calc R . . . .
C55 C 0.4557(3) 0.6529(2) 0.6810(2) 0.0302(7) Uani 1 1 d . . . . .
H55 H 0.4929 0.6994 0.7061 0.036 Uiso 1 1 calc R . . . .
C23 C 0.0144(3) 0.0505(2) 0.82780(17) 0.0270(7) Uani 1 1 d . . . . .
H23 H -0.0376 0.0158 0.8460 0.032 Uiso 1 1 calc R . . . .
C1 C 0.1558(2) 0.30542(18) 0.64308(16) 0.0213(6) Uani 1 1 d . . . . .
C13 C 0.0379(3) 0.4129(2) 0.64356(16) 0.0252(6) Uani 1 1 d . . . . .
C24 C 0.0007(3) 0.1309(2) 0.82236(19) 0.0306(7) Uani 1 1 d . . . . .
H24 H -0.0610 0.1516 0.8366 0.037 Uiso 1 1 calc R . . . .
C61 C 0.6470(3) 0.3202(2) 0.6361(2) 0.0345(8) Uani 1 1 d . . . . .
H61 H 0.7187 0.3201 0.6518 0.041 Uiso 1 1 calc R . . . .
C85 C -0.0793(3) 0.1241(2) 0.38127(19) 0.0305(7) Uani 1 1 d . . . . .
C44 C 0.3445(3) 0.3344(2) 0.90746(16) 0.0250(6) Uani 1 1 d . . . . .
C60 C 0.6088(3) 0.2815(2) 0.57213(19) 0.0332(8) Uani 1 1 d . . . . .
H60 H 0.6538 0.2538 0.5443 0.040 Uiso 1 1 calc R . . . .
C15 C 0.4678(3) 0.1811(2) 0.7217(2) 0.0331(8) Uani 1 1 d . . . . .
H15 H 0.4570 0.1968 0.6756 0.040 Uiso 1 1 calc R . . . .
C62 C 0.5806(3) 0.3591(2) 0.67762(18) 0.0284(7) Uani 1 1 d . . . . .
H62 H 0.6070 0.3852 0.7216 0.034 Uiso 1 1 calc R . . . .
C8 C 0.0655(2) 0.34103(19) 0.61092(16) 0.0229(6) Uani 1 1 d . . . . .
C53 C 0.3527(3) 0.5923(2) 0.57908(19) 0.0344(8) Uani 1 1 d . . . . .
H53 H 0.3203 0.5970 0.5339 0.041 Uiso 1 1 calc R . . . .
C78 C 0.2821(3) 0.40920(19) 0.41110(17) 0.0279(7) Uani 1 1 d . . . . .
C93 C -0.0151(3) 0.1681(2) 0.03909(18) 0.0285(7) Uani 1 1 d . . . . .
C5 C 0.2616(3) 0.0930(2) 0.54317(18) 0.0310(7) Uani 1 1 d . . . . .
H5 H 0.2806 0.0435 0.5225 0.037 Uiso 1 1 calc R . . . .
C32 C 0.0021(3) 0.38624(19) 0.78318(17) 0.0253(6) Uani 1 1 d . . . . .
C86 C 0.1396(3) -0.1071(2) 0.3640(2) 0.0328(8) Uani 1 1 d . . . . .
C31 C 0.0346(3) 0.5719(2) 0.79734(19) 0.0293(7) Uani 1 1 d . . . . .
H31 H -0.0061 0.5371 0.8239 0.035 Uiso 1 1 calc R . . . .
C69 C 0.6211(3) 0.1261(2) 0.17346(18) 0.0273(7) Uani 1 1 d . . . . .
C46 C 0.2838(3) 0.2424(2) 0.9891(2) 0.0405(9) Uani 1 1 d . . . . .
H46 H 0.2283 0.2103 1.0064 0.049 Uiso 1 1 calc R . . . .
C19 C 0.4062(3) 0.1610(2) 0.83354(19) 0.0313(7) Uani 1 1 d . . . . .
H19 H 0.3529 0.1629 0.8646 0.038 Uiso 1 1 calc R . . . .
C9 C 0.0007(3) 0.3088(2) 0.55141(17) 0.0275(7) Uani 1 1 d . . . . .
H9 H 0.0094 0.2562 0.5314 0.033 Uiso 1 1 calc R . . . .
C70 C 0.5470(3) 0.0790(2) 0.41688(18) 0.0316(8) Uani 1 1 d . . . . .
C40 C 0.2816(3) 0.6351(2) 0.88545(19) 0.0326(8) Uani 1 1 d . . . . .
H40 H 0.2881 0.6841 0.8629 0.039 Uiso 1 1 calc R . . . .
C26 C 0.0976(3) 0.53895(19) 0.74962(17) 0.0252(6) Uani 1 1 d . . . . .
C28 C 0.1515(3) 0.6749(2) 0.71924(19) 0.0331(8) Uani 1 1 d . . . . .
H28 H 0.1915 0.7099 0.6925 0.040 Uiso 1 1 calc R . . . .
C29 C 0.0897(3) 0.7069(2) 0.7673(2) 0.0349(8) Uani 1 1 d . . . . .
H29 H 0.0872 0.7639 0.7737 0.042 Uiso 1 1 calc R . . . .
C30 C 0.0311(3) 0.6554(2) 0.8062(2) 0.0342(8) Uani 1 1 d . . . . .
H30 H -0.0116 0.6775 0.8390 0.041 Uiso 1 1 calc R . . . .
C27 C 0.1550(3) 0.5912(2) 0.71006(18) 0.0307(7) Uani 1 1 d . . . . .
H27 H 0.1969 0.5694 0.6765 0.037 Uiso 1 1 calc R . . . .
C18 C 0.5022(3) 0.1351(2) 0.8554(2) 0.0397(9) Uani 1 1 d . . . . .
H18 H 0.5140 0.1193 0.9013 0.048 Uiso 1 1 calc R . . . .
C43 C 0.2643(3) 0.4931(2) 0.95143(18) 0.0351(8) Uani 1 1 d . . . . .
H43 H 0.2582 0.4445 0.9746 0.042 Uiso 1 1 calc R . . . .
C54 C 0.4063(3) 0.6596(2) 0.61638(19) 0.0341(8) Uani 1 1 d . . . . .
H54 H 0.4091 0.7108 0.5972 0.041 Uiso 1 1 calc R . . . .
C49 C 0.4443(3) 0.3386(2) 0.94113(19) 0.0353(8) Uani 1 1 d . . . . .
H49 H 0.4995 0.3724 0.9252 0.042 Uiso 1 1 calc R . . . .
C37 C -0.0910(3) 0.3427(2) 0.75313(19) 0.0310(7) Uani 1 1 d . . . . .
H37 H -0.1058 0.3380 0.7040 0.037 Uiso 1 1 calc R . . . .
C17 C 0.5797(3) 0.1323(3) 0.8113(3) 0.0460(11) Uani 1 1 d . . . . .
H17 H 0.6449 0.1145 0.8269 0.055 Uiso 1 1 calc R . . . .
C10 C -0.0755(3) 0.3519(2) 0.5213(2) 0.0384(9) Uani 1 1 d . . . . .
H10 H -0.1177 0.3293 0.4809 0.046 Uiso 1 1 calc R . . . .
C33 C 0.0217(3) 0.3924(2) 0.85582(18) 0.0312(7) Uani 1 1 d . . . . .
H33 H 0.0845 0.4214 0.8770 0.037 Uiso 1 1 calc R . . . .
C47 C 0.3826(4) 0.2451(3) 1.0207(2) 0.0485(11) Uani 1 1 d . . . . .
H47 H 0.3958 0.2133 1.0588 0.058 Uiso 1 1 calc R . . . .
C35 C -0.1418(3) 0.3132(2) 0.8664(2) 0.0385(9) Uani 1 1 d . . . . .
H35 H -0.1904 0.2884 0.8947 0.046 Uiso 1 1 calc R . . . .
C94 C 0.2683(3) -0.0148(3) 0.0121(2) 0.0389(9) Uani 1 1 d . . . . .
C41 C 0.2519(3) 0.6360(2) 0.9529(2) 0.0369(8) Uani 1 1 d . . . . .
H41 H 0.2373 0.6854 0.9763 0.044 Uiso 1 1 calc R . . . .
C16 C 0.5637(3) 0.1550(2) 0.7443(2) 0.0432(10) Uani 1 1 d . . . . .
H16 H 0.6176 0.1529 0.7137 0.052 Uiso 1 1 calc R . . . .
C34 C -0.0498(3) 0.3567(2) 0.8970(2) 0.0373(8) Uani 1 1 d . . . . .
H34 H -0.0360 0.3619 0.9462 0.045 Uiso 1 1 calc R . . . .
C42 C 0.2438(4) 0.5653(3) 0.9856(2) 0.0424(10) Uani 1 1 d . . . . .
H42 H 0.2240 0.5659 1.0318 0.051 Uiso 1 1 calc R . . . .
C12 C -0.0357(3) 0.4586(2) 0.6137(2) 0.0393(9) Uani 1 1 d . . . . .
H12 H -0.0488 0.5092 0.6357 0.047 Uiso 1 1 calc R . . . .
C36 C -0.1621(3) 0.3062(2) 0.7950(2) 0.0380(9) Uani 1 1 d . . . . .
H36 H -0.2246 0.2764 0.7742 0.046 Uiso 1 1 calc R . . . .
C48 C 0.4640(3) 0.2940(3) 0.9978(2) 0.0453(10) Uani 1 1 d . . . . .
H48 H 0.5323 0.2969 1.0207 0.054 Uiso 1 1 calc R . . . .
C11 C -0.0898(4) 0.4288(3) 0.5508(2) 0.0464(11) Uani 1 1 d . . . . .
H11 H -0.1368 0.4609 0.5277 0.056 Uiso 1 1 calc R . . . .
F2B F 0.6344(10) 0.0518(5) 0.1508(6) 0.088(5) Uani 0.5 1 d . . P A 2
F1A F 0.6075(12) 0.1834(12) 0.1337(7) 0.103(6) Uani 0.5 1 d . . P A 1


_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 P1 2.2309(8) . ?
Co1 P3 2.2866(9) . ?
Co1 P4 2.2442(9) . ?
Co1 P2 2.2436(9) . ?
Co1 C1 1.923(3) . ?
P1 C3 1.816(3) . ?
P1 C20 1.822(3) . ?
P1 C14 1.832(3) . ?
P3 C38 1.835(3) . ?
P3 C50 1.847(3) . ?
P3 C44 1.815(3) . ?
P4 C51 1.829(3) . ?
P4 C57 1.828(3) . ?
P4 C50 1.841(3) . ?
P2 C13 1.798(3) . ?
P2 C32 1.830(3) . ?
P2 C26 1.824(3) . ?
F20 C93 1.336(4) . ?
F8 C77 1.326(4) . ?
F21 C93 1.338(4) . ?
F11 C78 1.344(4) . ?
F15 C85 1.331(4) . ?
F7 C77 1.338(4) . ?
F22 C94 1.327(4) . ?
F18 C86 1.333(4) . ?
F10 C78 1.313(4) . ?
F6 C70 1.323(4) . ?
F19 C93 1.347(4) . ?
F9 C77 1.326(4) . ?
F24 C94 1.326(5) . ?
F12 C78 1.335(4) . ?
F5 C70 1.344(4) . ?
F13 C85 1.330(4) . ?
F16 C86 1.326(5) . ?
C63 C64 1.399(4) . ?
C63 C68 1.402(4) . ?
C63 B1 1.633(4) . ?
F4 C70 1.318(4) . ?
F23 C94 1.344(4) . ?
F17 C86 1.326(4) . ?
F1B C69 1.310(11) . ?
C87 C88 1.397(4) . ?
C87 C92 1.398(4) . ?
C87 B1 1.638(4) . ?
F3 C69 1.295(4) . ?
C64 H64 0.9500 . ?
C64 C65 1.389(4) . ?
C68 H68 0.9500 . ?
C68 C67 1.384(4) . ?
C71 C72 1.404(4) . ?
C71 C76 1.396(4) . ?
C71 B1 1.643(4) . ?
C3 C2 1.402(4) . ?
C3 C4 1.385(4) . ?
C79 C84 1.400(4) . ?
C79 C80 1.398(4) . ?
C79 B1 1.638(4) . ?
F14 C85 1.320(4) . ?
C20 C25 1.398(4) . ?
C20 C21 1.398(4) . ?
C88 H88 0.9500 . ?
C88 C89 1.387(4) . ?
C92 H92 0.9500 . ?
C92 C91 1.400(4) . ?
C2 C7 1.402(4) . ?
C2 C1 1.495(4) . ?
C4 H4 0.9500 . ?
C4 C5 1.377(5) . ?
C66 H66 0.9500 . ?
C66 C67 1.379(4) . ?
C66 C65 1.384(4) . ?
C84 H84 0.9500 . ?
C84 C83 1.388(4) . ?
C7 H7 0.9500 . ?
C7 C6 1.379(4) . ?
C25 H25 0.9500 . ?
C25 C24 1.392(5) . ?
C67 C70 1.505(4) . ?
C21 H21 0.9500 . ?
C21 C22 1.392(4) . ?
C81 C80 1.394(4) . ?
C81 C82 1.374(4) . ?
C81 C85 1.501(4) . ?
C65 C69 1.498(4) . ?
C75 C76 1.385(4) . ?
C75 C74 1.389(4) . ?
C75 C78 1.498(4) . ?
C80 H80 0.9500 . ?
C14 C15 1.387(5) . ?
C14 C19 1.408(5) . ?
C83 C82 1.390(4) . ?
C83 C86 1.498(4) . ?
C73 C72 1.392(4) . ?
C73 C74 1.378(4) . ?
C73 C77 1.503(4) . ?
C22 H22 0.9500 . ?
C22 C23 1.382(5) . ?
C90 H90 0.9500 . ?
C90 C89 1.388(4) . ?
C90 C91 1.380(5) . ?
C56 H56 0.9500 . ?
C56 C51 1.391(5) . ?
C56 C55 1.399(5) . ?
C72 H72 0.9500 . ?
C89 C93 1.494(4) . ?
C6 H6 0.9500 . ?
C6 C5 1.387(5) . ?
C76 H76 0.9500 . ?
F2A C69 1.287(9) . ?
C51 C52 1.402(5) . ?
C82 H82 0.9500 . ?
C74 H74 0.9500 . ?
C58 H58 0.9500 . ?
C58 C57 1.384(4) . ?
C58 C59 1.391(5) . ?
C45 H45 0.9500 . ?
C45 C44 1.389(5) . ?
C45 C46 1.383(5) . ?
C52 H52 0.9500 . ?
C52 C53 1.392(5) . ?
C38 C39 1.394(5) . ?
C38 C43 1.395(5) . ?
C57 C62 1.390(5) . ?
C39 H39 0.9500 . ?
C39 C40 1.384(5) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C91 C94 1.498(5) . ?
C59 H59 0.9500 . ?
C59 C60 1.386(5) . ?
C55 H55 0.9500 . ?
C55 C54 1.373(5) . ?
C23 H23 0.9500 . ?
C23 C24 1.373(5) . ?
C1 C8 1.469(4) . ?
C13 C8 1.398(4) . ?
C13 C12 1.386(5) . ?
C24 H24 0.9500 . ?
C61 H61 0.9500 . ?
C61 C60 1.384(5) . ?
C61 C62 1.392(5) . ?
C44 C49 1.388(5) . ?
C60 H60 0.9500 . ?
C15 H15 0.9500 . ?
C15 C16 1.396(5) . ?
C62 H62 0.9500 . ?
C8 C9 1.409(5) . ?
C53 H53 0.9500 . ?
C53 C54 1.381(5) . ?
C5 H5 0.9500 . ?
C32 C37 1.404(5) . ?
C32 C33 1.403(5) . ?
C31 H31 0.9500 . ?
C31 C26 1.395(5) . ?
C31 C30 1.391(5) . ?
C69 F2B 1.311(9) . ?
C69 F1A 1.282(16) . ?
C46 H46 0.9500 . ?
C46 C47 1.364(6) . ?
C19 H19 0.9500 . ?
C19 C18 1.392(5) . ?
C9 H9 0.9500 . ?
C9 C10 1.383(5) . ?
C40 H40 0.9500 . ?
C40 C41 1.389(5) . ?
C26 C27 1.399(5) . ?
C28 H28 0.9500 . ?
C28 C29 1.383(5) . ?
C28 C27 1.392(5) . ?
C29 H29 0.9500 . ?
C29 C30 1.389(5) . ?
C30 H30 0.9500 . ?
C27 H27 0.9500 . ?
C18 H18 0.9500 . ?
C18 C17 1.368(6) . ?
C43 H43 0.9500 . ?
C43 C42 1.384(5) . ?
C54 H54 0.9500 . ?
C49 H49 0.9500 . ?
C49 C48 1.387(5) . ?
C37 H37 0.9500 . ?
C37 C36 1.397(5) . ?
C17 H17 0.9500 . ?
C17 C16 1.383(6) . ?
C10 H10 0.9500 . ?
C10 C11 1.394(5) . ?
C33 H33 0.9500 . ?
C33 C34 1.387(5) . ?
C47 H47 0.9500 . ?
C47 C48 1.388(6) . ?
C35 H35 0.9500 . ?
C35 C34 1.396(6) . ?
C35 C36 1.381(6) . ?
C41 H41 0.9500 . ?
C41 C42 1.373(6) . ?
C16 H16 0.9500 . ?
C34 H34 0.9500 . ?
C42 H42 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.386(5) . ?
C36 H36 0.9500 . ?
C48 H48 0.9500 . ?
C11 H11 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
P1 Co1 P3 96.82(3) . . ?
P1 Co1 P4 102.67(3) . . ?
P1 Co1 P2 143.45(4) . . ?
P4 Co1 P3 74.16(3) . . ?
P2 Co1 P3 98.02(3) . . ?
P2 Co1 P4 113.47(3) . . ?
C1 Co1 P1 82.04(9) . . ?
C1 Co1 P3 178.55(9) . . ?
C1 Co1 P4 106.93(10) . . ?
C1 Co1 P2 82.44(9) . . ?
C3 P1 Co1 102.25(10) . . ?
C3 P1 C20 103.09(13) . . ?
C3 P1 C14 103.47(15) . . ?
C20 P1 Co1 116.44(10) . . ?
C20 P1 C14 103.12(14) . . ?
C14 P1 Co1 125.57(10) . . ?
C38 P3 Co1 124.24(11) . . ?
C38 P3 C50 105.13(15) . . ?
C50 P3 Co1 92.74(10) . . ?
C44 P3 Co1 125.56(11) . . ?
C44 P3 C38 99.91(15) . . ?
C44 P3 C50 105.79(15) . . ?
C51 P4 Co1 122.45(11) . . ?
C51 P4 C50 108.63(15) . . ?
C57 P4 Co1 123.85(10) . . ?
C57 P4 C51 99.97(14) . . ?
C57 P4 C50 105.86(15) . . ?
C50 P4 Co1 94.28(10) . . ?
C13 P2 Co1 103.78(11) . . ?
C13 P2 C32 102.88(16) . . ?
C13 P2 C26 102.78(15) . . ?
C32 P2 Co1 107.11(10) . . ?
C26 P2 Co1 133.90(11) . . ?
C26 P2 C32 102.76(15) . . ?
C64 C63 C68 115.1(3) . . ?
C64 C63 B1 122.5(2) . . ?
C68 C63 B1 122.3(2) . . ?
C88 C87 C92 115.5(3) . . ?
C88 C87 B1 119.9(2) . . ?
C92 C87 B1 124.6(3) . . ?
C63 C64 H64 118.7 . . ?
C65 C64 C63 122.6(3) . . ?
C65 C64 H64 118.7 . . ?
C63 C68 H68 118.9 . . ?
C67 C68 C63 122.2(3) . . ?
C67 C68 H68 118.9 . . ?
C72 C71 B1 123.1(2) . . ?
C76 C71 C72 115.5(3) . . ?
C76 C71 B1 121.1(2) . . ?
C2 C3 P1 111.0(2) . . ?
C4 C3 P1 127.6(2) . . ?
C4 C3 C2 121.4(3) . . ?
C84 C79 B1 120.5(2) . . ?
C80 C79 C84 115.6(3) . . ?
C80 C79 B1 123.6(2) . . ?
C25 C20 P1 119.8(2) . . ?
C21 C20 P1 121.4(2) . . ?
C21 C20 C25 118.6(3) . . ?
C87 C88 H88 118.5 . . ?
C89 C88 C87 122.9(3) . . ?
C89 C88 H88 118.5 . . ?
C87 C92 H92 119.1 . . ?
C87 C92 C91 121.7(3) . . ?
C91 C92 H92 119.1 . . ?
C3 C2 C1 116.0(3) . . ?
C7 C2 C3 117.6(3) . . ?
C7 C2 C1 126.4(3) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 C3 119.7(3) . . ?
C5 C4 H4 120.2 . . ?
C67 C66 H66 121.2 . . ?
C67 C66 C65 117.6(3) . . ?
C65 C66 H66 121.2 . . ?
C79 C84 H84 118.8 . . ?
C83 C84 C79 122.5(3) . . ?
C83 C84 H84 118.8 . . ?
C2 C7 H7 119.9 . . ?
C6 C7 C2 120.3(3) . . ?
C6 C7 H7 119.9 . . ?
C20 C25 H25 119.7 . . ?
C24 C25 C20 120.5(3) . . ?
C24 C25 H25 119.7 . . ?
C68 C67 C70 118.8(3) . . ?
C66 C67 C68 121.5(3) . . ?
C66 C67 C70 119.6(3) . . ?
C20 C21 H21 119.9 . . ?
C22 C21 C20 120.2(3) . . ?
C22 C21 H21 119.9 . . ?
C80 C81 C85 118.9(3) . . ?
C82 C81 C80 121.6(3) . . ?
C82 C81 C85 119.5(3) . . ?
C64 C65 C69 119.3(3) . . ?
C66 C65 C64 120.9(3) . . ?
C66 C65 C69 119.7(3) . . ?
C76 C75 C74 121.2(3) . . ?
C76 C75 C78 119.2(3) . . ?
C74 C75 C78 119.6(3) . . ?
C79 C80 H80 119.1 . . ?
C81 C80 C79 121.8(3) . . ?
C81 C80 H80 119.1 . . ?
C15 C14 P1 120.5(3) . . ?
C15 C14 C19 118.5(3) . . ?
C19 C14 P1 121.1(3) . . ?
C84 C83 C82 120.8(3) . . ?
C84 C83 C86 119.7(3) . . ?
C82 C83 C86 119.5(3) . . ?
C72 C73 C77 118.3(3) . . ?
C74 C73 C72 121.3(3) . . ?
C74 C73 C77 120.4(3) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 C21 120.4(3) . . ?
C23 C22 H22 119.8 . . ?
C89 C90 H90 121.2 . . ?
C91 C90 H90 121.2 . . ?
C91 C90 C89 117.6(3) . . ?
C51 C56 H56 120.1 . . ?
C51 C56 C55 119.8(3) . . ?
C55 C56 H56 120.1 . . ?
C71 C72 H72 119.0 . . ?
C73 C72 C71 122.0(3) . . ?
C73 C72 H72 119.0 . . ?
C88 C89 C90 120.7(3) . . ?
C88 C89 C93 118.5(3) . . ?
C90 C89 C93 120.4(3) . . ?
C7 C6 H6 119.6 . . ?
C7 C6 C5 120.9(3) . . ?
C5 C6 H6 119.6 . . ?
C71 C76 H76 118.8 . . ?
C75 C76 C71 122.4(3) . . ?
C75 C76 H76 118.8 . . ?
C56 C51 P4 124.1(3) . . ?
C56 C51 C52 119.2(3) . . ?
C52 C51 P4 116.6(2) . . ?
C81 C82 C83 117.7(3) . . ?
C81 C82 H82 121.1 . . ?
C83 C82 H82 121.1 . . ?
C75 C74 H74 121.2 . . ?
C73 C74 C75 117.6(3) . . ?
C73 C74 H74 121.2 . . ?
C57 C58 H58 119.7 . . ?
C57 C58 C59 120.6(3) . . ?
C59 C58 H58 119.7 . . ?
C44 C45 H45 120.0 . . ?
C46 C45 H45 120.0 . . ?
C46 C45 C44 120.1(4) . . ?
C63 B1 C87 112.7(2) . . ?
C63 B1 C71 104.4(2) . . ?
C63 B1 C79 111.4(2) . . ?
C87 B1 C71 110.6(2) . . ?
C79 B1 C87 105.1(2) . . ?
C79 B1 C71 113.0(2) . . ?
F8 C77 F7 105.9(3) . . ?
F8 C77 F9 107.1(3) . . ?
F8 C77 C73 112.8(3) . . ?
F7 C77 C73 112.0(3) . . ?
F9 C77 F7 105.6(3) . . ?
F9 C77 C73 112.8(3) . . ?
C51 C52 H52 119.9 . . ?
C53 C52 C51 120.2(3) . . ?
C53 C52 H52 119.9 . . ?
C39 C38 P3 119.8(2) . . ?
C39 C38 C43 118.0(3) . . ?
C43 C38 P3 122.1(3) . . ?
C58 C57 P4 117.7(2) . . ?
C58 C57 C62 119.2(3) . . ?
C62 C57 P4 123.1(2) . . ?
C38 C39 H39 119.5 . . ?
C40 C39 C38 120.9(3) . . ?
C40 C39 H39 119.5 . . ?
P3 C50 H50A 112.6 . . ?
P3 C50 H50B 112.6 . . ?
P4 C50 P3 95.59(15) . . ?
P4 C50 H50A 112.6 . . ?
P4 C50 H50B 112.6 . . ?
H50A C50 H50B 110.1 . . ?
C92 C91 C94 117.2(3) . . ?
C90 C91 C92 121.4(3) . . ?
C90 C91 C94 121.1(3) . . ?
C58 C59 H59 120.0 . . ?
C60 C59 C58 119.9(3) . . ?
C60 C59 H59 120.0 . . ?
C56 C55 H55 119.8 . . ?
C54 C55 C56 120.5(3) . . ?
C54 C55 H55 119.8 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 C22 120.0(3) . . ?
C24 C23 H23 120.0 . . ?
C2 C1 Co1 119.1(2) . . ?
C8 C1 Co1 123.3(2) . . ?
C8 C1 C2 117.5(3) . . ?
C8 C13 P2 110.5(2) . . ?
C12 C13 P2 126.3(3) . . ?
C12 C13 C8 123.0(3) . . ?
C25 C24 H24 119.9 . . ?
C23 C24 C25 120.3(3) . . ?
C23 C24 H24 119.9 . . ?
C60 C61 H61 119.9 . . ?
C60 C61 C62 120.1(3) . . ?
C62 C61 H61 119.9 . . ?
F15 C85 C81 112.6(3) . . ?
F13 C85 F15 104.3(3) . . ?
F13 C85 C81 112.6(3) . . ?
F14 C85 F15 105.3(3) . . ?
F14 C85 F13 108.6(3) . . ?
F14 C85 C81 112.9(3) . . ?
C45 C44 P3 119.4(3) . . ?
C49 C44 P3 121.4(3) . . ?
C49 C44 C45 119.2(3) . . ?
C59 C60 H60 120.1 . . ?
C61 C60 C59 119.8(3) . . ?
C61 C60 H60 120.1 . . ?
C14 C15 H15 119.5 . . ?
C14 C15 C16 121.0(3) . . ?
C16 C15 H15 119.5 . . ?
C57 C62 C61 120.3(3) . . ?
C57 C62 H62 119.9 . . ?
C61 C62 H62 119.9 . . ?
C13 C8 C1 117.4(3) . . ?
C13 C8 C9 115.8(3) . . ?
C9 C8 C1 126.8(3) . . ?
C52 C53 H53 120.0 . . ?
C54 C53 C52 120.0(3) . . ?
C54 C53 H53 120.0 . . ?
F11 C78 C75 111.8(3) . . ?
F10 C78 F11 106.5(3) . . ?
F10 C78 F12 108.0(3) . . ?
F10 C78 C75 113.7(3) . . ?
F12 C78 F11 104.8(3) . . ?
F12 C78 C75 111.5(3) . . ?
F20 C93 F21 107.4(3) . . ?
F20 C93 F19 105.4(3) . . ?
F20 C93 C89 112.9(3) . . ?
F21 C93 F19 106.4(3) . . ?
F21 C93 C89 113.2(3) . . ?
F19 C93 C89 110.9(3) . . ?
C4 C5 C6 119.7(3) . . ?
C4 C5 H5 120.1 . . ?
C6 C5 H5 120.1 . . ?
C37 C32 P2 122.0(3) . . ?
C33 C32 P2 119.4(3) . . ?
C33 C32 C37 118.5(3) . . ?
F18 C86 C83 113.0(3) . . ?
F16 C86 F18 105.6(3) . . ?
F16 C86 C83 112.0(3) . . ?
F17 C86 F18 105.5(3) . . ?
F17 C86 F16 107.7(3) . . ?
F17 C86 C83 112.5(3) . . ?
C26 C31 H31 119.9 . . ?
C30 C31 H31 119.9 . . ?
C30 C31 C26 120.2(3) . . ?
F1B C69 C65 115.3(6) . . ?
F1B C69 F2B 107.6(9) . . ?
F3 C69 F1B 111.7(6) . . ?
F3 C69 C65 114.3(3) . . ?
F3 C69 F2B 95.3(7) . . ?
F2A C69 F3 115.8(7) . . ?
F2A C69 C65 112.2(6) . . ?
F2B C69 C65 110.6(5) . . ?
F1A C69 F3 98.5(8) . . ?
F1A C69 C65 112.3(8) . . ?
F1A C69 F2A 102.2(10) . . ?
C45 C46 H46 119.8 . . ?
C47 C46 C45 120.4(4) . . ?
C47 C46 H46 119.8 . . ?
C14 C19 H19 120.0 . . ?
C18 C19 C14 119.9(4) . . ?
C18 C19 H19 120.0 . . ?
C8 C9 H9 119.2 . . ?
C10 C9 C8 121.7(3) . . ?
C10 C9 H9 119.2 . . ?
F6 C70 F5 105.3(3) . . ?
F6 C70 C67 113.1(3) . . ?
F5 C70 C67 111.4(3) . . ?
F4 C70 F6 108.0(3) . . ?
F4 C70 F5 105.6(3) . . ?
F4 C70 C67 112.8(3) . . ?
C39 C40 H40 120.0 . . ?
C39 C40 C41 120.0(3) . . ?
C41 C40 H40 120.0 . . ?
C31 C26 P2 123.4(3) . . ?
C31 C26 C27 118.8(3) . . ?
C27 C26 P2 117.6(2) . . ?
C29 C28 H28 120.1 . . ?
C29 C28 C27 119.9(3) . . ?
C27 C28 H28 120.1 . . ?
C28 C29 H29 120.0 . . ?
C28 C29 C30 119.9(3) . . ?
C30 C29 H29 120.0 . . ?
C31 C30 H30 119.8 . . ?
C29 C30 C31 120.4(3) . . ?
C29 C30 H30 119.8 . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.7(3) . . ?
C28 C27 H27 119.6 . . ?
C19 C18 H18 119.7 . . ?
C17 C18 C19 120.7(4) . . ?
C17 C18 H18 119.7 . . ?
C38 C43 H43 119.5 . . ?
C42 C43 C38 121.0(3) . . ?
C42 C43 H43 119.5 . . ?
C55 C54 C53 120.3(3) . . ?
C55 C54 H54 119.8 . . ?
C53 C54 H54 119.8 . . ?
C44 C49 H49 119.7 . . ?
C48 C49 C44 120.5(4) . . ?
C48 C49 H49 119.7 . . ?
C32 C37 H37 119.8 . . ?
C36 C37 C32 120.4(3) . . ?
C36 C37 H37 119.8 . . ?
C18 C17 H17 119.8 . . ?
C18 C17 C16 120.3(4) . . ?
C16 C17 H17 119.8 . . ?
C9 C10 H10 120.2 . . ?
C9 C10 C11 119.6(3) . . ?
C11 C10 H10 120.2 . . ?
C32 C33 H33 119.7 . . ?
C34 C33 C32 120.7(4) . . ?
C34 C33 H33 119.7 . . ?
C46 C47 H47 119.7 . . ?
C46 C47 C48 120.6(4) . . ?
C48 C47 H47 119.7 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C36 C35 C34 119.9(3) . . ?
F22 C94 F23 106.8(3) . . ?
F22 C94 C91 112.9(3) . . ?
F24 C94 F22 106.9(3) . . ?
F24 C94 F23 105.9(3) . . ?
F24 C94 C91 112.9(3) . . ?
F23 C94 C91 110.9(3) . . ?
C40 C41 H41 120.1 . . ?
C42 C41 C40 119.8(3) . . ?
C42 C41 H41 120.1 . . ?
C15 C16 H16 120.2 . . ?
C17 C16 C15 119.6(4) . . ?
C17 C16 H16 120.2 . . ?
C33 C34 C35 120.2(4) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C43 C42 H42 119.9 . . ?
C41 C42 C43 120.3(3) . . ?
C41 C42 H42 119.9 . . ?
C13 C12 H12 120.7 . . ?
C13 C12 C11 118.5(3) . . ?
C11 C12 H12 120.7 . . ?
C37 C36 H36 119.9 . . ?
C35 C36 C37 120.3(4) . . ?
C35 C36 H36 119.9 . . ?
C49 C48 C47 119.2(4) . . ?
C49 C48 H48 120.4 . . ?
C47 C48 H48 120.4 . . ?
C10 C11 H11 119.9 . . ?
C12 C11 C10 120.3(3) . . ?
C12 C11 H11 119.9 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_mo_ry_ss_3_149a_0m_sq
_database_code_depnum_ccdc_archive 'CCDC 1908199'
loop_
_audit_author_name
_audit_author_address
'Rowan Young' 'National University of Singapore'
_audit_update_record             
;
2019-04-05 deposited with the CCDC.	2019-06-05 downloaded from the CCDC.
;
_audit_creation_date             2018-10-22
_audit_creation_method           
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C43 H47 Co O P4, C32 H12 B F24'
_chemical_formula_sum            'C75 H59 B Co F24 O P4'
_chemical_formula_weight         1625.84
_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 0.0033 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'
B B 0.0013 0.0007 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.892(2)
_cell_length_b                   14.673(2)
_cell_length_c                   19.142(3)
_cell_angle_alpha                85.307(6)
_cell_angle_beta                 82.481(6)
_cell_angle_gamma                81.765(6)
_cell_volume                     3820.7(10)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    3393
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.57
_cell_measurement_theta_min      2.81
_shelx_estimated_absorpt_T_max   0.980
_shelx_estimated_absorpt_T_min   0.928
_exptl_absorpt_coefficient_mu    0.410
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6477
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1219 before and 0.0761 after correction.
The Ratio of minimum to maximum transmission is 0.8681.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.413
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1650
_exptl_crystal_size_max          0.186
_exptl_crystal_size_mid          0.127
_exptl_crystal_size_min          0.049
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.1745
_diffrn_reflns_av_unetI/netI     0.1336
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            63159
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.027
_diffrn_reflns_theta_max         25.027
_diffrn_reflns_theta_min         2.811
_diffrn_ambient_temperature      99.96
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7347
_reflns_number_total             13490
_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       ?
_computing_data_collection       ?
_computing_data_reduction        ?
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.376
_refine_diff_density_min         -0.781
_refine_diff_density_rms         0.112
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     957
_refine_ls_number_reflns         13490
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1571
_refine_ls_R_factor_gt           0.0902
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.1337P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2192
_refine_ls_wR_factor_ref         0.2582
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: F19B(0.5) F24B(0.5) F17B(0.5) F18B(0.5) F18A(0.5) F17A(0.5)
 F24A(0.5) F19A(0.5)
3.a Ternary CH refined with riding coordinates:
 C1(H1)
3.b Aromatic/amide H refined with riding coordinates:
 C73(H73), C69(H69), C57(H57), C53(H53), C49(H49), C45(H45), C71(H71),
 C61(H61), C55(H55), C9(H9), C65(H65), C12(H12), C11(H11), C21(H21), C33(H33),
 C63(H63), C10(H10), C7(H7), C17(H17), C25(H25), C47(H47), C36(H36), C37(H37),
 C18(H18), C4(H4), C15(H15), C31(H31), C19(H19), C6(H6), C35(H35), C34(H34),
 C30(H30), C24(H24), C27(H27), C23(H23), C16(H16), C5(H5), C28(H28), C22(H22),
 C29(H29)
3.c Idealised Me refined as rotating group:
 C38(H38A,H38B,H38C), C41(H41A,H41B,H41C), C42(H42A,H42B,H42C), C40(H40A,H40B,
 H40C), C43(H43A,H43B,H43C), C39(H39A,H39B,H39C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_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
Co1 Co 0.83282(6) 0.44864(6) 0.73850(5) 0.0282(3) Uani 1 1 d . . . . .
P2 P 0.85505(12) 0.53814(12) 0.87961(9) 0.0267(4) Uani 1 1 d . . . . .
P1 P 0.86598(13) 0.30947(12) 0.70353(9) 0.0280(4) Uani 1 1 d . . . . .
P4 P 0.67392(14) 0.48209(13) 0.72055(11) 0.0366(5) Uani 1 1 d . . . . .
P3 P 0.89538(15) 0.53987(14) 0.64411(10) 0.0372(5) Uani 1 1 d . . . . .
F10 F -0.0418(3) 1.0240(3) 0.5958(2) 0.0390(10) Uani 1 1 d . . . . .
F12 F -0.0022(3) 0.8803(3) 0.5824(2) 0.0465(11) Uani 1 1 d . . . . .
O1 O 0.7968(3) 0.5357(3) 0.8177(2) 0.0288(10) Uani 1 1 d . . . . .
F6 F 0.2094(3) 0.5740(3) 0.6760(3) 0.0526(12) Uani 1 1 d . . . . .
F11 F -0.0148(3) 0.9321(4) 0.6858(2) 0.0537(13) Uani 1 1 d . . . . .
F3 F 0.5566(3) 0.7824(3) 0.4547(2) 0.0524(12) Uani 1 1 d . . . . .
F1 F 0.6445(3) 0.6676(4) 0.5007(2) 0.0588(14) Uani 1 1 d . . . . .
F2 F 0.5317(3) 0.6457(3) 0.4382(2) 0.0551(13) Uani 1 1 d . . . . .
F9 F 0.2541(4) 1.0478(4) 0.4102(2) 0.0609(14) Uani 1 1 d . . . . .
F7 F 0.3928(3) 1.0391(4) 0.4474(2) 0.0643(15) Uani 1 1 d . . . . .
F8 F 0.2864(4) 1.1556(3) 0.4671(3) 0.0702(16) Uani 1 1 d . . . . .
F19B F 0.5565(6) 1.2010(6) 0.7775(5) 0.033(2) Uiso 0.5 1 d . . P A 2
F5 F 0.2897(4) 0.5020(4) 0.5914(3) 0.0758(17) Uani 1 1 d . . . . .
F14 F 0.3390(4) 0.6746(4) 0.9969(2) 0.0707(16) Uani 1 1 d . . . . .
F15 F 0.4515(4) 0.6488(4) 0.9102(3) 0.0748(17) Uani 1 1 d . . . . .
F20 F 0.3943(4) 1.1943(3) 0.7768(3) 0.0777(18) Uani 1 1 d . . . . .
F13 F 0.3173(4) 0.5998(3) 0.9128(3) 0.0764(17) Uani 1 1 d . . . . .
F21 F 0.4962(6) 1.2210(3) 0.6899(3) 0.093(2) Uani 1 1 d . . . . .
F4 F 0.3409(4) 0.4852(4) 0.6922(4) 0.095(2) Uani 1 1 d . . . . .
F22 F 0.7203(5) 0.8858(5) 0.8337(3) 0.096(2) Uani 1 1 d . . . . .
C60 C 0.3140(4) 0.8532(4) 0.7771(3) 0.0214(14) Uani 1 1 d . . . . .
C73 C 0.5431(4) 0.8811(4) 0.7221(3) 0.0221(14) Uani 1 1 d . . . . .
H73 H 0.5570 0.8167 0.7161 0.026 Uiso 1 1 calc R . . . .
C68 C 0.4530(4) 0.9282(4) 0.7063(3) 0.0194(13) Uani 1 1 d . . . . .
C44 C 0.3961(4) 0.7756(4) 0.6553(3) 0.0227(14) Uani 1 1 d . . . . .
C52 C 0.2856(4) 0.9313(4) 0.6449(3) 0.0219(14) Uani 1 1 d . . . . .
C69 C 0.4378(4) 1.0236(4) 0.7145(3) 0.0213(14) Uani 1 1 d . . . . .
H69 H 0.3778 1.0582 0.7037 0.026 Uiso 1 1 calc R . . . .
C57 C 0.1853(4) 0.9234(4) 0.6537(3) 0.0216(14) Uani 1 1 d . . . . .
H57 H 0.1589 0.8898 0.6945 0.026 Uiso 1 1 calc R . . . .
F23 F 0.7841(4) 0.9013(6) 0.7338(4) 0.110(3) Uani 1 1 d . . . . .
C53 C 0.3189(5) 0.9795(4) 0.5822(3) 0.0230(14) Uani 1 1 d . . . . .
H53 H 0.3863 0.9868 0.5733 0.028 Uiso 1 1 calc R . . . .
C49 C 0.3421(4) 0.7007(4) 0.6701(4) 0.0280(15) Uani 1 1 d . . . . .
H49 H 0.2931 0.7017 0.7097 0.034 Uiso 1 1 calc R . . . .
C70 C 0.5076(5) 1.0692(4) 0.7380(3) 0.0225(14) Uani 1 1 d . . . . .
C45 C 0.4655(4) 0.7707(4) 0.5952(3) 0.0259(15) Uani 1 1 d . . . . .
H45 H 0.5030 0.8201 0.5828 0.031 Uiso 1 1 calc R . . . .
C54 C 0.2580(5) 1.0165(4) 0.5329(3) 0.0254(15) Uani 1 1 d . . . . .
C71 C 0.5954(5) 1.0203(5) 0.7548(3) 0.0290(15) Uani 1 1 d . . . . .
H71 H 0.6426 1.0509 0.7718 0.035 Uiso 1 1 calc R . . . .
C64 C 0.2100(5) 0.9030(5) 0.8832(4) 0.0307(16) Uani 1 1 d . . . . .
C72 C 0.6134(4) 0.9260(5) 0.7463(4) 0.0280(15) Uani 1 1 d . . . . .
C56 C 0.1238(4) 0.9622(4) 0.6055(3) 0.0237(14) Uani 1 1 d . . . . .
F16 F 0.0909(6) 1.0315(5) 0.8777(3) 0.131(3) Uani 1 1 d . . . . .
C61 C 0.3511(5) 0.7759(4) 0.8193(4) 0.0268(15) Uani 1 1 d . . . . .
H61 H 0.4009 0.7318 0.7982 0.032 Uiso 1 1 calc R . . . .
C3 C 0.9986(5) 0.2913(5) 0.6839(4) 0.0302(16) Uani 1 1 d . . . . .
C8 C 0.9621(5) 0.3711(5) 0.8485(4) 0.0283(15) Uani 1 1 d . . . . .
C62 C 0.3177(5) 0.7620(5) 0.8904(4) 0.0319(16) Uani 1 1 d . . . . .
C55 C 0.1589(5) 1.0078(4) 0.5440(3) 0.0267(15) Uani 1 1 d . . . . .
H55 H 0.1166 1.0327 0.5101 0.032 Uiso 1 1 calc R . . . .
C14 C 0.8219(5) 0.2721(5) 0.6260(4) 0.0306(16) Uani 1 1 d . . . . .
C9 C 1.0000(5) 0.2802(5) 0.8662(4) 0.0338(17) Uani 1 1 d . . . . .
H9 H 1.0318 0.2420 0.8299 0.041 Uiso 1 1 calc R . . . .
C65 C 0.2444(5) 0.9171(5) 0.8120(3) 0.0256(14) Uani 1 1 d . . . . .
H65 H 0.2197 0.9719 0.7866 0.031 Uiso 1 1 calc R . . . .
C12 C 0.9035(5) 0.3864(5) 0.9726(4) 0.0315(16) Uani 1 1 d . . . . .
H12 H 0.8698 0.4232 1.0091 0.038 Uiso 1 1 calc R . . . .
C2 C 1.0401(5) 0.3485(4) 0.7233(4) 0.0299(16) Uani 1 1 d . . . . .
C20 C 0.8385(5) 0.2175(5) 0.7723(4) 0.0295(16) Uani 1 1 d . . . . .
C48 C 0.3584(5) 0.6257(5) 0.6289(4) 0.0330(17) Uani 1 1 d . . . . .
C11 C 0.9429(5) 0.2964(5) 0.9890(4) 0.0331(16) Uani 1 1 d . . . . .
H11 H 0.9360 0.2709 1.0363 0.040 Uiso 1 1 calc R . . . .
C46 C 0.4814(4) 0.6959(5) 0.5531(4) 0.0296(16) Uani 1 1 d . . . . .
C21 C 0.7676(5) 0.2394(5) 0.8290(4) 0.0371(18) Uani 1 1 d . . . . .
H21 H 0.7364 0.3011 0.8325 0.044 Uiso 1 1 calc R . . . .
C13 C 0.9126(5) 0.4241(4) 0.9026(3) 0.0268(15) Uani 1 1 d . . . . .
C33 C 0.9175(6) 0.7076(5) 0.8454(4) 0.0371(18) Uani 1 1 d . . . . .
H33 H 0.8497 0.7311 0.8508 0.045 Uiso 1 1 calc R . . . .
C63 C 0.2466(5) 0.8247(5) 0.9233(4) 0.0332(17) Uani 1 1 d . . . . .
H63 H 0.2229 0.8152 0.9718 0.040 Uiso 1 1 calc R . . . .
C74 C 0.4855(5) 1.1693(5) 0.7487(4) 0.0359(17) Uani 1 1 d . . . . .
C32 C 0.9478(5) 0.6138(5) 0.8598(3) 0.0276(15) Uani 1 1 d . . . . .
C10 C 0.9920(5) 0.2447(5) 0.9355(4) 0.0347(17) Uani 1 1 d . . . . .
H10 H 1.0211 0.1834 0.9464 0.042 Uiso 1 1 calc R . . . .
C59 C 0.0156(5) 0.9498(5) 0.6178(4) 0.0324(16) Uani 1 1 d . . . . .
C26 C 0.7772(5) 0.5818(5) 0.9549(4) 0.0301(16) Uani 1 1 d . . . . .
C7 C 1.1415(5) 0.3442(5) 0.7167(4) 0.0365(17) Uani 1 1 d . . . . .
H7 H 1.1707 0.3815 0.7440 0.044 Uiso 1 1 calc R . . . .
F24B F 0.7308(9) 0.7977(8) 0.7326(6) 0.078(3) Uiso 0.5 1 d . . P B 2
C17 C 0.7512(5) 0.2234(5) 0.5065(4) 0.0390(18) Uani 1 1 d . . . . .
H17 H 0.7257 0.2076 0.4660 0.047 Uiso 1 1 calc R . . . .
C58 C 0.2972(6) 1.0642(5) 0.4656(4) 0.0364(17) Uani 1 1 d . . . . .
C75 C 0.7067(5) 0.8729(5) 0.7667(5) 0.047(2) Uani 1 1 d . . . . .
C25 C 0.8829(6) 0.1296(5) 0.7673(4) 0.0434(19) Uani 1 1 d . . . . .
H25 H 0.9297 0.1139 0.7278 0.052 Uiso 1 1 calc R . . . .
C50 C 0.5539(5) 0.6970(6) 0.4870(4) 0.0409(19) Uani 1 1 d . . . . .
C47 C 0.4280(5) 0.6221(5) 0.5698(4) 0.0326(17) Uani 1 1 d . . . . .
H47 H 0.4388 0.5706 0.5414 0.039 Uiso 1 1 calc R . . . .
C36 C 1.1155(5) 0.6403(5) 0.8317(4) 0.0375(18) Uani 1 1 d . . . . .
H36 H 1.1835 0.6179 0.8267 0.045 Uiso 1 1 calc R . . . .
C37 C 1.0482(5) 0.5798(5) 0.8543(3) 0.0313(16) Uani 1 1 d . . . . .
H37 H 1.0695 0.5165 0.8659 0.038 Uiso 1 1 calc R . . . .
C18 C 0.7151(5) 0.1899(5) 0.5721(4) 0.0414(19) Uani 1 1 d . . . . .
H18 H 0.6654 0.1508 0.5765 0.050 Uiso 1 1 calc R . . . .
C4 C 1.0567(5) 0.2303(5) 0.6386(4) 0.0382(18) Uani 1 1 d . . . . .
H4 H 1.0275 0.1903 0.6136 0.046 Uiso 1 1 calc R . . . .
C38 C 1.0174(5) 0.5066(6) 0.5988(4) 0.045(2) Uani 1 1 d . . . . .
H38A H 1.0656 0.5011 0.6326 0.067 Uiso 1 1 calc GR . . . .
H38B H 1.0326 0.5536 0.5612 0.067 Uiso 1 1 calc GR . . . .
H38C H 1.0198 0.4471 0.5784 0.067 Uiso 1 1 calc GR . . . .
C15 C 0.8577(5) 0.3062(5) 0.5591(4) 0.0381(18) Uani 1 1 d . . . . .
H15 H 0.9051 0.3477 0.5546 0.046 Uiso 1 1 calc R . . . .
C31 C 0.6773(5) 0.5781(5) 0.9616(4) 0.0404(18) Uani 1 1 d . . . . .
H31 H 0.6496 0.5556 0.9246 0.049 Uiso 1 1 calc R . . . .
C19 C 0.7507(5) 0.2126(5) 0.6330(4) 0.0360(17) Uani 1 1 d . . . . .
H19 H 0.7266 0.1879 0.6783 0.043 Uiso 1 1 calc R . . . .
C6 C 1.2000(5) 0.2858(5) 0.6706(4) 0.0409(19) Uani 1 1 d . . . . .
H6 H 1.2691 0.2842 0.6659 0.049 Uiso 1 1 calc R . . . .
C1 C 0.9704(5) 0.4103(5) 0.7718(4) 0.0308(16) Uani 1 1 d . . . . .
H1 H 1.0000 0.4687 0.7712 0.037 Uiso 1 1 calc R . . . .
C35 C 1.0848(6) 0.7337(5) 0.8161(4) 0.0412(19) Uani 1 1 d . . . . .
H35 H 1.1316 0.7747 0.8008 0.049 Uiso 1 1 calc R . . . .
C34 C 0.9867(6) 0.7660(5) 0.8232(4) 0.0432(19) Uani 1 1 d . . . . .
H34 H 0.9660 0.8296 0.8126 0.052 Uiso 1 1 calc R . . . .
C30 C 0.6168(6) 0.6071(6) 1.0221(4) 0.046(2) Uani 1 1 d . . . . .
H30 H 0.5487 0.6026 1.0267 0.055 Uiso 1 1 calc R . . . .
C24 C 0.8602(6) 0.0621(6) 0.8199(5) 0.048(2) Uani 1 1 d . . . . .
H24 H 0.8945 0.0013 0.8177 0.057 Uiso 1 1 calc R . . . .
C27 C 0.8173(6) 0.6155(5) 1.0100(4) 0.0413(19) Uani 1 1 d . . . . .
H27 H 0.8859 0.6175 1.0061 0.050 Uiso 1 1 calc R . . . .
C51 C 0.3003(6) 0.5456(6) 0.6486(5) 0.046(2) Uani 1 1 d . . . . .
C66 C 0.3584(6) 0.6741(6) 0.9282(4) 0.049(2) Uani 1 1 d . . . . .
C23 C 0.7881(7) 0.0830(6) 0.8752(4) 0.049(2) Uani 1 1 d . . . . .
H23 H 0.7702 0.0360 0.9096 0.059 Uiso 1 1 calc R . . . .
C16 C 0.8251(6) 0.2804(6) 0.4980(4) 0.0428(19) Uani 1 1 d . . . . .
H16 H 0.8524 0.3011 0.4524 0.051 Uiso 1 1 calc R . . . .
C41 C 0.6288(6) 0.4495(6) 0.6409(5) 0.052(2) Uani 1 1 d . . . . .
H41A H 0.6558 0.4856 0.5995 0.078 Uiso 1 1 calc GR . . . .
H41B H 0.5571 0.4621 0.6460 0.078 Uiso 1 1 calc GR . . . .
H41C H 0.6494 0.3836 0.6349 0.078 Uiso 1 1 calc GR . . . .
C5 C 1.1588(6) 0.2286(5) 0.6306(4) 0.045(2) Uani 1 1 d . . . . .
H5 H 1.1996 0.1894 0.5985 0.054 Uiso 1 1 calc R . . . .
C28 C 0.7575(6) 0.6459(6) 1.0703(4) 0.050(2) Uani 1 1 d . . . . .
H28 H 0.7849 0.6687 1.1073 0.060 Uiso 1 1 calc R . . . .
C67 C 0.1324(7) 0.9715(6) 0.9160(4) 0.049(2) Uani 1 1 d . . . . .
C42 C 0.6261(6) 0.6044(5) 0.7229(5) 0.046(2) Uani 1 1 d . . . . .
H42A H 0.6324 0.6259 0.7690 0.069 Uiso 1 1 calc GR . . . .
H42B H 0.5569 0.6134 0.7153 0.069 Uiso 1 1 calc GR . . . .
H42C H 0.6633 0.6395 0.6857 0.069 Uiso 1 1 calc GR . . . .
B1 B 0.3627(5) 0.8728(5) 0.6951(4) 0.0184(15) Uani 1 1 d . . . . .
C22 C 0.7422(6) 0.1724(6) 0.8803(4) 0.047(2) Uani 1 1 d . . . . .
H22 H 0.6935 0.1877 0.9188 0.057 Uiso 1 1 calc R . . . .
C40 C 0.8292(6) 0.5724(7) 0.5672(4) 0.056(2) Uani 1 1 d . . . . .
H40A H 0.8372 0.5200 0.5374 0.084 Uiso 1 1 calc GR . . . .
H40B H 0.8555 0.6248 0.5401 0.084 Uiso 1 1 calc GR . . . .
H40C H 0.7594 0.5897 0.5831 0.084 Uiso 1 1 calc GR . . . .
F17B F 0.1330(8) 0.9887(8) 0.9805(6) 0.066(3) Uiso 0.5 1 d . . P C 2
C43 C 0.5880(6) 0.4366(6) 0.7895(5) 0.053(2) Uani 1 1 d . . . . .
H43A H 0.5938 0.3694 0.7877 0.080 Uiso 1 1 calc GR . . . .
H43B H 0.5212 0.4641 0.7825 0.080 Uiso 1 1 calc GR . . . .
H43C H 0.6026 0.4515 0.8356 0.080 Uiso 1 1 calc GR . . . .
C29 C 0.6563(6) 0.6425(6) 1.0756(5) 0.052(2) Uani 1 1 d . . . . .
H29 H 0.6146 0.6645 1.1158 0.062 Uiso 1 1 calc R . . . .
C39 C 0.9135(8) 0.6514(6) 0.6719(5) 0.070(3) Uani 1 1 d . . . . .
H39A H 0.8523 0.6805 0.6972 0.105 Uiso 1 1 calc GR . . . .
H39B H 0.9331 0.6912 0.6304 0.105 Uiso 1 1 calc GR . . . .
H39C H 0.9650 0.6426 0.7033 0.105 Uiso 1 1 calc GR . . . .
F18B F 0.0387(9) 0.9351(8) 0.9219(6) 0.077(3) Uiso 0.5 1 d . . P C 2
F18A F 0.0927(8) 0.9419(8) 0.9791(6) 0.063(3) Uiso 0.5 1 d . . P C 1
F17A F 0.1783(9) 1.0373(8) 0.9442(6) 0.077(3) Uiso 0.5 1 d . . P C 1
F24A F 0.6995(6) 0.7817(5) 0.7858(4) 0.0343(18) Uiso 0.5 1 d . . P B 1
F19A F 0.5260(6) 1.1967(6) 0.8040(5) 0.035(2) Uiso 0.5 1 d . . P A 1


_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 P1 2.169(2) . ?
Co1 P4 2.257(2) . ?
Co1 P3 2.311(2) . ?
Co1 O1 2.029(4) . ?
Co1 C1 2.081(7) . ?
P2 O1 1.525(4) . ?
P2 C13 1.795(7) . ?
P2 C32 1.803(7) . ?
P2 C26 1.789(7) . ?
P1 C3 1.817(7) . ?
P1 C14 1.829(7) . ?
P1 C20 1.850(7) . ?
P4 C41 1.845(7) . ?
P4 C42 1.824(7) . ?
P4 C43 1.813(9) . ?
P3 C38 1.820(8) . ?
P3 C40 1.831(8) . ?
P3 C39 1.823(9) . ?
F10 C59 1.328(8) . ?
F12 C59 1.338(8) . ?
F6 C51 1.326(8) . ?
F11 C59 1.332(8) . ?
F3 C50 1.354(9) . ?
F1 C50 1.323(8) . ?
F2 C50 1.339(8) . ?
F9 C58 1.338(8) . ?
F7 C58 1.334(9) . ?
F8 C58 1.330(9) . ?
F19B C74 1.346(10) . ?
F5 C51 1.348(9) . ?
F14 C66 1.307(9) . ?
F15 C66 1.302(9) . ?
F20 C74 1.323(9) . ?
F13 C66 1.370(10) . ?
F21 C74 1.309(8) . ?
F4 C51 1.287(10) . ?
F22 C75 1.353(10) . ?
C60 C61 1.414(9) . ?
C60 C65 1.390(9) . ?
C60 B1 1.644(9) . ?
C73 H73 0.9500 . ?
C73 C68 1.397(8) . ?
C73 C72 1.400(8) . ?
C68 C69 1.404(9) . ?
C68 B1 1.635(8) . ?
C44 C49 1.407(9) . ?
C44 C45 1.400(9) . ?
C44 B1 1.651(9) . ?
C52 C57 1.402(8) . ?
C52 C53 1.401(9) . ?
C52 B1 1.638(9) . ?
C69 H69 0.9500 . ?
C69 C70 1.392(8) . ?
C57 H57 0.9500 . ?
C57 C56 1.373(9) . ?
F23 C75 1.280(10) . ?
C53 H53 0.9500 . ?
C53 C54 1.377(9) . ?
C49 H49 0.9500 . ?
C49 C48 1.383(9) . ?
C70 C71 1.385(9) . ?
C70 C74 1.482(9) . ?
C45 H45 0.9500 . ?
C45 C46 1.389(9) . ?
C54 C55 1.387(9) . ?
C54 C58 1.491(9) . ?
C71 H71 0.9500 . ?
C71 C72 1.389(9) . ?
C64 C65 1.393(9) . ?
C64 C63 1.398(9) . ?
C64 C67 1.478(10) . ?
C72 C75 1.494(9) . ?
C56 C55 1.374(9) . ?
C56 C59 1.524(9) . ?
F16 C67 1.228(9) . ?
C61 H61 0.9500 . ?
C61 C62 1.387(9) . ?
C3 C2 1.400(9) . ?
C3 C4 1.393(9) . ?
C8 C9 1.394(9) . ?
C8 C13 1.394(9) . ?
C8 C1 1.529(9) . ?
C62 C63 1.376(10) . ?
C62 C66 1.501(10) . ?
C55 H55 0.9500 . ?
C14 C15 1.392(10) . ?
C14 C19 1.398(9) . ?
C9 H9 0.9500 . ?
C9 C10 1.383(10) . ?
C65 H65 0.9500 . ?
C12 H12 0.9500 . ?
C12 C11 1.382(10) . ?
C12 C13 1.403(9) . ?
C2 C7 1.391(9) . ?
C2 C1 1.508(9) . ?
C20 C21 1.392(10) . ?
C20 C25 1.354(10) . ?
C48 C47 1.387(10) . ?
C48 C51 1.515(10) . ?
C11 H11 0.9500 . ?
C11 C10 1.374(10) . ?
C46 C50 1.512(10) . ?
C46 C47 1.392(9) . ?
C21 H21 0.9500 . ?
C21 C22 1.381(10) . ?
C33 H33 0.9500 . ?
C33 C32 1.396(9) . ?
C33 C34 1.382(10) . ?
C63 H63 0.9500 . ?
C74 F19A 1.375(11) . ?
C32 C37 1.407(9) . ?
C10 H10 0.9500 . ?
C26 C31 1.385(10) . ?
C26 C27 1.410(9) . ?
C7 H7 0.9500 . ?
C7 C6 1.383(10) . ?
F24B C75 1.309(14) . ?
C17 H17 0.9500 . ?
C17 C18 1.370(11) . ?
C17 C16 1.401(10) . ?
C75 F24A 1.372(11) . ?
C25 H25 0.9500 . ?
C25 C24 1.392(11) . ?
C47 H47 0.9500 . ?
C36 H36 0.9500 . ?
C36 C37 1.384(9) . ?
C36 C35 1.397(10) . ?
C37 H37 0.9500 . ?
C18 H18 0.9500 . ?
C18 C19 1.406(10) . ?
C4 H4 0.9500 . ?
C4 C5 1.405(10) . ?
C38 H38A 0.9800 . ?
C38 H38B 0.9800 . ?
C38 H38C 0.9800 . ?
C15 H15 0.9500 . ?
C15 C16 1.405(9) . ?
C31 H31 0.9500 . ?
C31 C30 1.398(11) . ?
C19 H19 0.9500 . ?
C6 H6 0.9500 . ?
C6 C5 1.405(10) . ?
C1 H1 1.0000 . ?
C35 H35 0.9500 . ?
C35 C34 1.370(11) . ?
C34 H34 0.9500 . ?
C30 H30 0.9500 . ?
C30 C29 1.390(11) . ?
C24 H24 0.9500 . ?
C24 C23 1.381(12) . ?
C27 H27 0.9500 . ?
C27 C28 1.396(11) . ?
C23 H23 0.9500 . ?
C23 C22 1.378(12) . ?
C16 H16 0.9500 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C5 H5 0.9500 . ?
C28 H28 0.9500 . ?
C28 C29 1.405(11) . ?
C67 F17B 1.281(13) . ?
C67 F18B 1.464(14) . ?
C67 F18A 1.325(13) . ?
C67 F17A 1.409(14) . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C22 H22 0.9500 . ?
C40 H40A 0.9800 . ?
C40 H40B 0.9800 . ?
C40 H40C 0.9800 . ?
C43 H43A 0.9800 . ?
C43 H43B 0.9800 . ?
C43 H43C 0.9800 . ?
C29 H29 0.9500 . ?
C39 H39A 0.9800 . ?
C39 H39B 0.9800 . ?
C39 H39C 0.9800 . ?

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
P1 Co1 P4 100.69(7) . . ?
P1 Co1 P3 104.40(8) . . ?
P4 Co1 P3 96.94(8) . . ?
O1 Co1 P1 150.01(14) . . ?
O1 Co1 P4 85.22(13) . . ?
O1 Co1 P3 104.00(14) . . ?
O1 Co1 C1 89.8(2) . . ?
C1 Co1 P1 79.78(19) . . ?
C1 Co1 P4 170.5(2) . . ?
C1 Co1 P3 92.1(2) . . ?
O1 P2 C13 109.9(3) . . ?
O1 P2 C32 112.1(3) . . ?
O1 P2 C26 110.9(3) . . ?
C13 P2 C32 108.9(3) . . ?
C26 P2 C13 109.2(3) . . ?
C26 P2 C32 105.8(3) . . ?
C3 P1 Co1 104.4(2) . . ?
C3 P1 C14 104.3(3) . . ?
C3 P1 C20 104.3(3) . . ?
C14 P1 Co1 124.0(2) . . ?
C14 P1 C20 102.9(3) . . ?
C20 P1 Co1 114.9(2) . . ?
C41 P4 Co1 121.9(3) . . ?
C42 P4 Co1 114.2(3) . . ?
C42 P4 C41 102.4(4) . . ?
C43 P4 Co1 114.9(3) . . ?
C43 P4 C41 101.1(4) . . ?
C43 P4 C42 99.0(4) . . ?
C38 P3 Co1 120.4(3) . . ?
C38 P3 C40 99.2(4) . . ?
C38 P3 C39 98.7(4) . . ?
C40 P3 Co1 121.3(3) . . ?
C39 P3 Co1 111.1(3) . . ?
C39 P3 C40 102.5(5) . . ?
P2 O1 Co1 125.4(3) . . ?
C61 C60 B1 121.2(5) . . ?
C65 C60 C61 115.7(6) . . ?
C65 C60 B1 122.6(5) . . ?
C68 C73 H73 119.0 . . ?
C68 C73 C72 122.0(6) . . ?
C72 C73 H73 119.0 . . ?
C73 C68 C69 116.3(5) . . ?
C73 C68 B1 121.3(5) . . ?
C69 C68 B1 121.2(5) . . ?
C49 C44 B1 121.4(5) . . ?
C45 C44 C49 116.0(6) . . ?
C45 C44 B1 121.3(5) . . ?
C57 C52 B1 123.0(5) . . ?
C53 C52 C57 114.9(6) . . ?
C53 C52 B1 121.1(5) . . ?
C68 C69 H69 118.8 . . ?
C70 C69 C68 122.3(6) . . ?
C70 C69 H69 118.8 . . ?
C52 C57 H57 118.7 . . ?
C56 C57 C52 122.6(6) . . ?
C56 C57 H57 118.7 . . ?
C52 C53 H53 118.6 . . ?
C54 C53 C52 122.8(6) . . ?
C54 C53 H53 118.6 . . ?
C44 C49 H49 119.0 . . ?
C48 C49 C44 122.0(6) . . ?
C48 C49 H49 119.0 . . ?
C69 C70 C74 119.8(6) . . ?
C71 C70 C69 120.1(6) . . ?
C71 C70 C74 120.0(6) . . ?
C44 C45 H45 118.9 . . ?
C46 C45 C44 122.3(6) . . ?
C46 C45 H45 118.9 . . ?
C53 C54 C55 120.4(6) . . ?
C53 C54 C58 121.0(6) . . ?
C55 C54 C58 118.6(6) . . ?
C70 C71 H71 120.4 . . ?
C70 C71 C72 119.1(6) . . ?
C72 C71 H71 120.4 . . ?
C65 C64 C63 121.1(6) . . ?
C65 C64 C67 119.0(6) . . ?
C63 C64 C67 119.9(6) . . ?
C73 C72 C75 120.7(6) . . ?
C71 C72 C73 120.2(6) . . ?
C71 C72 C75 119.0(6) . . ?
C57 C56 C55 121.1(6) . . ?
C57 C56 C59 119.9(6) . . ?
C55 C56 C59 118.9(6) . . ?
C60 C61 H61 118.7 . . ?
C62 C61 C60 122.6(6) . . ?
C62 C61 H61 118.7 . . ?
C2 C3 P1 109.9(5) . . ?
C4 C3 P1 128.7(5) . . ?
C4 C3 C2 121.5(6) . . ?
C9 C8 C1 121.1(6) . . ?
C13 C8 C9 117.9(6) . . ?
C13 C8 C1 120.9(6) . . ?
C61 C62 C66 117.4(7) . . ?
C63 C62 C61 120.6(6) . . ?
C63 C62 C66 121.9(7) . . ?
C54 C55 H55 120.9 . . ?
C56 C55 C54 118.2(6) . . ?
C56 C55 H55 120.9 . . ?
C15 C14 P1 119.2(5) . . ?
C15 C14 C19 119.6(6) . . ?
C19 C14 P1 121.1(6) . . ?
C8 C9 H9 119.5 . . ?
C10 C9 C8 121.1(7) . . ?
C10 C9 H9 119.5 . . ?
C60 C65 C64 121.9(6) . . ?
C60 C65 H65 119.1 . . ?
C64 C65 H65 119.1 . . ?
C11 C12 H12 119.6 . . ?
C11 C12 C13 120.9(6) . . ?
C13 C12 H12 119.6 . . ?
C3 C2 C1 117.0(6) . . ?
C7 C2 C3 119.0(6) . . ?
C7 C2 C1 124.0(6) . . ?
C21 C20 P1 118.7(5) . . ?
C25 C20 P1 121.6(6) . . ?
C25 C20 C21 119.6(7) . . ?
C49 C48 C47 121.0(6) . . ?
C49 C48 C51 119.7(6) . . ?
C47 C48 C51 119.3(6) . . ?
C12 C11 H11 120.7 . . ?
C10 C11 C12 118.7(7) . . ?
C10 C11 H11 120.7 . . ?
C45 C46 C50 119.6(6) . . ?
C45 C46 C47 120.5(6) . . ?
C47 C46 C50 119.9(6) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 C20 120.8(7) . . ?
C22 C21 H21 119.6 . . ?
C8 C13 P2 118.3(5) . . ?
C8 C13 C12 120.2(6) . . ?
C12 C13 P2 121.4(5) . . ?
C32 C33 H33 120.2 . . ?
C34 C33 H33 120.2 . . ?
C34 C33 C32 119.5(7) . . ?
C64 C63 H63 120.9 . . ?
C62 C63 C64 118.1(6) . . ?
C62 C63 H63 120.9 . . ?
F19B C74 C70 112.4(6) . . ?
F20 C74 F19B 116.7(7) . . ?
F20 C74 C70 113.1(6) . . ?
F20 C74 F19A 93.9(7) . . ?
F21 C74 F19B 94.8(7) . . ?
F21 C74 F20 105.0(7) . . ?
F21 C74 C70 113.1(6) . . ?
F21 C74 F19A 115.2(7) . . ?
F19A C74 C70 114.4(6) . . ?
C33 C32 P2 118.1(5) . . ?
C33 C32 C37 120.1(6) . . ?
C37 C32 P2 121.7(5) . . ?
C9 C10 H10 119.4 . . ?
C11 C10 C9 121.2(7) . . ?
C11 C10 H10 119.4 . . ?
F10 C59 F12 106.0(5) . . ?
F10 C59 F11 107.0(6) . . ?
F10 C59 C56 112.5(6) . . ?
F12 C59 C56 111.3(6) . . ?
F11 C59 F12 107.7(6) . . ?
F11 C59 C56 112.1(5) . . ?
C31 C26 P2 120.4(5) . . ?
C31 C26 C27 119.1(7) . . ?
C27 C26 P2 120.4(5) . . ?
C2 C7 H7 119.9 . . ?
C6 C7 C2 120.2(7) . . ?
C6 C7 H7 119.9 . . ?
C18 C17 H17 119.5 . . ?
C18 C17 C16 121.1(7) . . ?
C16 C17 H17 119.5 . . ?
F9 C58 C54 113.1(6) . . ?
F7 C58 F9 105.3(6) . . ?
F7 C58 C54 113.3(6) . . ?
F8 C58 F9 105.5(6) . . ?
F8 C58 F7 105.3(6) . . ?
F8 C58 C54 113.7(6) . . ?
F22 C75 C72 112.2(7) . . ?
F22 C75 F24A 89.6(7) . . ?
F23 C75 F22 99.5(6) . . ?
F23 C75 C72 114.1(7) . . ?
F23 C75 F24B 87.3(8) . . ?
F23 C75 F24A 123.4(7) . . ?
F24B C75 F22 128.0(9) . . ?
F24B C75 C72 111.2(8) . . ?
F24A C75 C72 113.3(6) . . ?
C20 C25 H25 120.0 . . ?
C20 C25 C24 120.1(8) . . ?
C24 C25 H25 120.0 . . ?
F3 C50 C46 113.1(6) . . ?
F1 C50 F3 105.7(6) . . ?
F1 C50 F2 108.8(6) . . ?
F1 C50 C46 111.8(6) . . ?
F2 C50 F3 105.1(6) . . ?
F2 C50 C46 111.9(6) . . ?
C48 C47 C46 118.3(6) . . ?
C48 C47 H47 120.9 . . ?
C46 C47 H47 120.9 . . ?
C37 C36 H36 119.5 . . ?
C37 C36 C35 120.9(7) . . ?
C35 C36 H36 119.5 . . ?
C32 C37 H37 120.7 . . ?
C36 C37 C32 118.7(7) . . ?
C36 C37 H37 120.7 . . ?
C17 C18 H18 119.6 . . ?
C17 C18 C19 120.8(7) . . ?
C19 C18 H18 119.6 . . ?
C3 C4 H4 120.5 . . ?
C3 C4 C5 119.1(7) . . ?
C5 C4 H4 120.5 . . ?
P3 C38 H38A 109.5 . . ?
P3 C38 H38B 109.5 . . ?
P3 C38 H38C 109.5 . . ?
H38A C38 H38B 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C14 C15 H15 119.4 . . ?
C14 C15 C16 121.3(7) . . ?
C16 C15 H15 119.4 . . ?
C26 C31 H31 119.7 . . ?
C26 C31 C30 120.7(7) . . ?
C30 C31 H31 119.7 . . ?
C14 C19 C18 119.1(7) . . ?
C14 C19 H19 120.5 . . ?
C18 C19 H19 120.5 . . ?
C7 C6 H6 119.5 . . ?
C7 C6 C5 121.1(7) . . ?
C5 C6 H6 119.5 . . ?
Co1 C1 H1 106.1 . . ?
C8 C1 Co1 111.2(4) . . ?
C8 C1 H1 106.1 . . ?
C2 C1 Co1 114.2(4) . . ?
C2 C1 C8 112.6(6) . . ?
C2 C1 H1 106.1 . . ?
C36 C35 H35 120.2 . . ?
C34 C35 C36 119.6(7) . . ?
C34 C35 H35 120.2 . . ?
C33 C34 H34 119.4 . . ?
C35 C34 C33 121.1(7) . . ?
C35 C34 H34 119.4 . . ?
C31 C30 H30 120.0 . . ?
C29 C30 C31 120.0(7) . . ?
C29 C30 H30 120.0 . . ?
C25 C24 H24 119.8 . . ?
C23 C24 C25 120.3(8) . . ?
C23 C24 H24 119.8 . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.8(7) . . ?
C28 C27 H27 119.6 . . ?
F6 C51 F5 104.3(6) . . ?
F6 C51 C48 111.5(6) . . ?
F5 C51 C48 111.5(7) . . ?
F4 C51 F6 109.1(8) . . ?
F4 C51 F5 107.6(7) . . ?
F4 C51 C48 112.4(6) . . ?
F14 C66 F13 103.1(7) . . ?
F14 C66 C62 113.2(7) . . ?
F15 C66 F14 110.5(6) . . ?
F15 C66 F13 102.6(8) . . ?
F15 C66 C62 114.2(7) . . ?
F13 C66 C62 112.2(6) . . ?
C24 C23 H23 120.1 . . ?
C22 C23 C24 119.7(8) . . ?
C22 C23 H23 120.1 . . ?
C17 C16 C15 118.0(7) . . ?
C17 C16 H16 121.0 . . ?
C15 C16 H16 121.0 . . ?
P4 C41 H41A 109.5 . . ?
P4 C41 H41B 109.5 . . ?
P4 C41 H41C 109.5 . . ?
H41A C41 H41B 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C4 C5 H5 120.4 . . ?
C6 C5 C4 119.1(7) . . ?
C6 C5 H5 120.4 . . ?
C27 C28 H28 120.5 . . ?
C27 C28 C29 119.1(7) . . ?
C29 C28 H28 120.5 . . ?
F16 C67 C64 118.6(7) . . ?
F16 C67 F17B 117.6(9) . . ?
F16 C67 F18B 82.5(8) . . ?
F16 C67 F18A 123.9(9) . . ?
F16 C67 F17A 91.1(9) . . ?
F17B C67 C64 119.2(8) . . ?
F17B C67 F18B 99.8(9) . . ?
F18B C67 C64 108.6(8) . . ?
F18A C67 C64 113.1(8) . . ?
F18A C67 F17A 93.0(8) . . ?
F17A C67 C64 107.8(8) . . ?
P4 C42 H42A 109.5 . . ?
P4 C42 H42B 109.5 . . ?
P4 C42 H42C 109.5 . . ?
H42A C42 H42B 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C60 B1 C44 111.3(5) . . ?
C68 B1 C60 101.6(5) . . ?
C68 B1 C44 114.7(5) . . ?
C68 B1 C52 113.3(5) . . ?
C52 B1 C60 113.4(5) . . ?
C52 B1 C44 102.9(5) . . ?
C21 C22 H22 120.3 . . ?
C23 C22 C21 119.4(8) . . ?
C23 C22 H22 120.3 . . ?
P3 C40 H40A 109.5 . . ?
P3 C40 H40B 109.5 . . ?
P3 C40 H40C 109.5 . . ?
H40A C40 H40B 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
P4 C43 H43A 109.5 . . ?
P4 C43 H43B 109.5 . . ?
P4 C43 H43C 109.5 . . ?
H43A C43 H43B 109.5 . . ?
H43A C43 H43C 109.5 . . ?
H43B C43 H43C 109.5 . . ?
C30 C29 C28 120.3(7) . . ?
C30 C29 H29 119.9 . . ?
C28 C29 H29 119.9 . . ?
P3 C39 H39A 109.5 . . ?
P3 C39 H39B 109.5 . . ?
P3 C39 H39C 109.5 . . ?
H39A C39 H39B 109.5 . . ?
H39A C39 H39C 109.5 . . ?
H39B C39 H39C 109.5 . . ?

_shelx_SHELXL_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_p-1_sq
_database_code_depnum_ccdc_archive 'CCDC 1908200'
loop_
_audit_author_name
_audit_author_address
'Rowan Young' 'National University of Singapore'
_audit_update_record             
;
2019-04-05 deposited with the CCDC.	2019-06-05 downloaded from the CCDC.
;
_audit_creation_date             2019-03-25
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C62 H50 Co O P4, C32 H12 B F23.8, 0.2(F)'
_chemical_formula_sum            'C94 H62 B Co F24 O P4'
_chemical_formula_weight         1857.05
_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 0.0033 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'
B B 0.0013 0.0007 '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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   16.0295(8)
_cell_length_b                   19.6246(9)
_cell_length_c                   20.1719(9)
_cell_angle_alpha                103.307(2)
_cell_angle_beta                 102.563(2)
_cell_angle_gamma                111.047(2)
_cell_volume                     5439.3(5)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    9614
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.585
_cell_measurement_theta_min      2.434
_shelx_estimated_absorpt_T_max   0.969
_shelx_estimated_absorpt_T_min   0.883
_exptl_absorpt_coefficient_mu    0.296
_exptl_absorpt_correction_T_max  0.7458
_exptl_absorpt_correction_T_min  0.6826
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.1254 before and 0.0681 after correction. The Ratio of minimum to maximum transmission is 0.9153. The λ/2 correction factor is Not present.'
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.134
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             1884
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.404
_exptl_crystal_size_min          0.106
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0762
_diffrn_reflns_av_unetI/netI     0.0509
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            182253
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.755
_diffrn_reflns_theta_min         2.286
_diffrn_ambient_temperature      99.98
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                19776
_reflns_number_total             28184
_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       'SAINT V8.38A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.38A (?, 2016)'
_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    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         1.171
_refine_diff_density_min         -0.713
_refine_diff_density_rms         0.078
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1356
_refine_ls_number_reflns         28184
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1016
_refine_ls_R_factor_gt           0.0669
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0800P)²+9.0731P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1698
_refine_ls_wR_factor_ref         0.1959
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Others
 Fixed Sof: F18A(0.66667) F2A(0.66667) F13A(0.66667) F10A(0.66667)
 F12A(0.66667) F3A(0.66667) F1A(0.66667) F17A(0.66667) F9A(0.66667)
 F16A(0.66667) F8A(0.66667) F15A(0.66667) F7A(0.66667) F5A(0.66667)
 F14A(0.66667) F4A(0.66667) C57A(0.6) F11A(0.66667) C71A(0.66667) C66A(0.66667)
 H66A(0.66667) C65A(0.66667) C72A(0.66667) H72A(0.66667) C62A(0.6) H62A(0.6)
 C58A(0.6) H58A(0.6) F24A(0.33333) C64A(0.66667) H64A(0.66667) C88A(0.66667)
 H88A(0.66667) C76A(0.66667) H76A(0.66667) C67A(0.66667) C87A(0.66667)
 C63A(0.66667) C69A(0.66667) C83A(0.66667) C73A(0.66667) C68A(0.66667)
 H68A(0.66667) C79A(0.66667) C82A(0.66667) H82A(0.66667) C84A(0.66667)
 H84A(0.66667) C80A(0.66667) H80A(0.66667) C92A(0.66667) H92A(0.66667)
 C75A(0.66667) C74A(0.66667) H74A(0.66667) C86A(0.66667) C89A(0.66667)
 C85A(0.66667) B1A(0.66667) C59A(0.6) H59A(0.6) C78A(0.66667) C77A(0.66667)
 C81A(0.66667) C70A(0.66667) F20A(0.33333) F6B(0.3) C61A(0.6) H61A(0.6)
 F23C(0.33333) F22B(0.33333) C91A(0.66667) C90A(0.66667) H90A(0.66667)
 C60A(0.6) H60A(0.6) F21C(0.33333) F20B(0.33333) F17B(0.33333) B1B(0.33333)
 F18B(0.33333) C86B(0.33333) F16B(0.33333) C83B(0.33333) C82B(0.33333)
 H82B(0.33333) C84B(0.33333) H84B(0.33333) C81B(0.33333) C79B(0.33333)
 C80B(0.33333) H80B(0.33333) C85B(0.33333) F13B(0.33333) F15B(0.33333)
 F14B(0.33333) C71B(0.33333) C63B(0.33333) C72B(0.33333) H72B(0.33333)
 C76B(0.33333) H76B(0.33333) C92B(0.33333) H92B(0.33333) C91B(0.33333)
 C90B(0.33333) H90B(0.33333) C89B(0.33333) C88B(0.33333) H88B(0.33333)
 C87B(0.33333) C64B(0.33333) H64B(0.33333) C68B(0.33333) H68B(0.33333)
 C73B(0.33333) C75B(0.33333) C65B(0.33333) C67B(0.33333) C74B(0.33333)
 H74B(0.33333) C77B(0.33333) C78B(0.33333) C66B(0.33333) H66B(0.33333)
 C69B(0.33333) C70B(0.33333) F9B(0.33333) F8B(0.33333) F7B(0.33333)
 F10B(0.33333) F12B(0.33333) F11B(0.33333) F21B(0.33333) F24B(0.33333)
 F23B(0.33333) F22A(0.33333) F2B(0.33333) F3B(0.33333) F1B(0.33333) F4B(0.3)
 F5C(0.2) F6A(0.66667) F19C(0.33333) F5B(0.2) C61B(0.4) H61B(0.4) C62B(0.4)
 H62B(0.4) C57B(0.4) C59B(0.4) H59B(0.4) C60B(0.4) H60B(0.4) C58B(0.4)
 H58B(0.4) F19A(0.33333) F21A(0.33333) F19B(0.33333) F20C(0.33333)
 F22C(0.33333) F23A(0.33333) F24C(0.33333)
3.a Secondary CH2 refined with riding coordinates:
 C50(H50A,H50B)
3.b Aromatic/amide H refined with riding coordinates:
 C21(H21), C52(H52), C39(H39), C37(H37), C33(H33), C41(H41), C35(H35),
 C22(H22), C40(H40), C42(H42), C45(H45), C6(H6), C27(H27), C31(H31), C13(H13),
 C12(H12), C19(H19), C43(H43), C28(H28), C36(H36), C56(H56), C3(H3), C10(H10),
 C34(H34), C49(H49), C30(H30), C53(H53), C66A(H66A), C54(H54), C11(H11),
 C72A(H72A), C15(H15), C62A(H62A), C23(H23), C5(H5), C58A(H58A), C29(H29),
 C4(H4), C64A(H64A), C46(H46), C88A(H88A), C76A(H76A), C18(H18), C55(H55),
 C68A(H68A), C25(H25), C16(H16), C82A(H82A), C48(H48), C24(H24), C84A(H84A),
 C17(H17), C47(H47), C80A(H80A), C92A(H92A), C74A(H74A), C59A(H59A), C61A(H61A),
  C90A(H90A), C60A(H60A), C82B(H82B), C84B(H84B), C80B(H80B), C72B(H72B),
 C76B(H76B), C92B(H92B), C90B(H90B), C88B(H88B), C64B(H64B), C68B(H68B),
 C74B(H74B), C66B(H66B), C61B(H61B), C62B(H62B), C59B(H59B), C60B(H60B),
 C58B(H58B)
3.c Fitted hexagon refined as free rotating group:
 C92B(C91B,C90B,C89B,C88B,C87B)
;
_atom_sites_solution_hydrogens   geom
_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
Co1 Co 0.61807(3) 0.39052(2) 0.83773(2) 0.02240(9) Uani 1 1 d . . . . .
P3 P 0.76840(5) 0.48380(4) 0.85209(4) 0.02251(14) Uani 1 1 d . . . . .
P2 P 0.65801(5) 0.29429(4) 0.79920(4) 0.02349(14) Uani 1 1 d . . . . .
P4 P 0.60175(5) 0.47449(4) 0.78036(4) 0.02611(15) Uani 1 1 d . . . . .
P1 P 0.46637(5) 0.31573(4) 0.81045(4) 0.02742(15) Uani 1 1 d . . . . .
O1 O 0.63486(14) 0.43051(11) 0.94296(10) 0.0256(4) Uani 1 1 d . . . . .
F18A F 1.0581(7) 0.3934(5) 0.6386(5) 0.066(2) Uani 0.6667 1 d . . P A 2
F2A F 0.6942(4) 0.4547(3) 0.2653(3) 0.0487(12) Uani 0.6667 1 d . . P A 2
F13A F 0.7645(2) 0.49589(17) 0.61503(15) 0.0334(6) Uani 0.6667 1 d . . P A 2
F10A F 0.8210(4) 0.0528(3) 0.5016(2) 0.0593(12) Uani 0.6667 1 d . . P A 2
F12A F 0.8588(4) 0.1475(3) 0.5951(2) 0.0597(14) Uani 0.6667 1 d . . P A 2
F3A F 0.5970(2) 0.39631(17) 0.16628(18) 0.0471(8) Uani 0.6667 1 d . . P A 2
F1A F 0.7327(4) 0.3973(2) 0.1767(2) 0.0521(10) Uani 0.6667 1 d . . P A 2
F17A F 1.11057(19) 0.43369(19) 0.55747(15) 0.0414(7) Uani 0.6667 1 d . . P A 2
F9A F 0.4628(3) 0.0904(3) 0.5142(3) 0.0637(12) Uani 0.6667 1 d . . P A 2
F16A F 1.09417(19) 0.51478(16) 0.64040(16) 0.0460(7) Uani 0.6667 1 d . . P A 2
F8A F 0.4816(4) 0.1929(3) 0.4885(3) 0.0642(13) Uani 0.6667 1 d . . P A 2
F15A F 0.7968(3) 0.55820(17) 0.54365(18) 0.0459(8) Uani 0.6667 1 d . . P A 2
F7A F 0.4307(4) 0.0767(4) 0.4042(3) 0.0715(15) Uani 0.6667 1 d . . P A 2
C50 C 0.7187(2) 0.50193(16) 0.77065(14) 0.0265(5) Uani 1 1 d . . . . .
H50A H 0.749593 0.556918 0.774185 0.032 Uiso 1 1 calc R . . . .
H50B H 0.718360 0.467536 0.726080 0.032 Uiso 1 1 calc R . . . .
C1 C 0.6374(2) 0.36277(15) 0.92773(14) 0.0247(5) Uani 1 1 d . . . . .
C32 C 0.7161(2) 0.30085(15) 0.73103(14) 0.0260(5) Uani 1 1 d . . . . .
F5A F 0.3954(3) 0.1270(2) 0.1077(2) 0.0593(12) Uani 0.6667 1 d . . P B 1
C21 C 0.4150(2) 0.41696(16) 0.89108(17) 0.0305(6) Uani 1 1 d . . . . .
H21 H 0.469874 0.426602 0.928375 0.037 Uiso 1 1 calc R . . . .
C9 C 0.7402(2) 0.30768(16) 0.88530(14) 0.0269(6) Uani 1 1 d . . . . .
C51 C 0.6118(2) 0.56731(15) 0.83400(15) 0.0270(6) Uani 1 1 d . . . . .
C52 C 0.6086(2) 0.58087(16) 0.90330(16) 0.0301(6) Uani 1 1 d . . . . .
H52 H 0.594595 0.539835 0.922581 0.036 Uiso 1 1 calc R . . . .
C14 C 0.4011(2) 0.24015(17) 0.72235(17) 0.0341(7) Uani 1 1 d . . . . .
C39 C 0.8114(2) 0.58454(17) 0.99221(15) 0.0292(6) Uani 1 1 d . . . . .
H39 H 0.778773 0.539425 1.002649 0.035 Uiso 1 1 calc R . . . .
C37 C 0.7984(2) 0.29127(17) 0.73244(16) 0.0310(6) Uani 1 1 d . . . . .
H37 H 0.831794 0.283653 0.773030 0.037 Uiso 1 1 calc R . . . .
C33 C 0.6685(2) 0.31221(16) 0.67057(15) 0.0299(6) Uani 1 1 d . . . . .
H33 H 0.612576 0.319226 0.669105 0.036 Uiso 1 1 calc R . . . .
C41 C 0.8981(2) 0.72348(17) 1.03042(17) 0.0355(7) Uani 1 1 d . . . . .
H41 H 0.924106 0.773082 1.066557 0.043 Uiso 1 1 calc R . . . .
C26 C 0.5808(2) 0.18986(16) 0.76559(16) 0.0300(6) Uani 1 1 d . . . . .
C44 C 0.87509(19) 0.47396(16) 0.84449(15) 0.0273(6) Uani 1 1 d . . . . .
C35 C 0.7839(2) 0.30376(17) 0.61462(16) 0.0355(7) Uani 1 1 d . . . . .
H35 H 0.807166 0.304642 0.575198 0.043 Uiso 1 1 calc R . . . .
C22 C 0.3605(2) 0.45599(18) 0.90452(19) 0.0357(7) Uani 1 1 d . . . . .
H22 H 0.377973 0.492501 0.950969 0.043 Uiso 1 1 calc R . . . .
F14A F 0.6702(2) 0.4518(2) 0.50929(17) 0.0522(8) Uani 0.6667 1 d . . P A 2
C2 C 0.5537(2) 0.29652(16) 0.93002(16) 0.0294(6) Uani 1 1 d . . . . .
F4A F 0.4409(3) 0.05758(18) 0.1673(3) 0.0725(15) Uani 0.6667 1 d . . P B 1
C40 C 0.8508(2) 0.65740(18) 1.04495(17) 0.0355(7) Uani 1 1 d . . . . .
H40 H 0.845148 0.661773 1.091490 0.043 Uiso 1 1 calc R . . . .
C42 C 0.9075(2) 0.71696(17) 0.96250(17) 0.0367(7) Uani 1 1 d . . . . .
H42 H 0.940073 0.762182 0.952204 0.044 Uiso 1 1 calc R . . . .
C45 C 0.9257(2) 0.45586(17) 0.89718(17) 0.0337(6) Uani 1 1 d . . . . .
H45 H 0.905699 0.450506 0.937471 0.040 Uiso 1 1 calc R . . . .
C6 C 0.3846(2) 0.21535(17) 0.8846(2) 0.0396(7) Uani 1 1 d . . . . .
H6 H 0.323399 0.201614 0.852873 0.048 Uiso 1 1 calc R . . . .
C57A C 0.5150(4) 0.4553(3) 0.6971(3) 0.0187(11) Uani 0.6 1 d . . P C 2
F11A F 0.7371(4) 0.0407(3) 0.5702(3) 0.0850(18) Uani 0.6667 1 d . . P A 2
C27 C 0.5409(2) 0.14764(17) 0.69205(17) 0.0354(7) Uani 1 1 d . . . . .
H27 H 0.553538 0.173191 0.658227 0.042 Uiso 1 1 calc R . . . .
C31 C 0.5604(2) 0.15085(17) 0.81410(17) 0.0358(7) Uani 1 1 d . . . . .
H31 H 0.587575 0.178716 0.864496 0.043 Uiso 1 1 calc R . . . .
C13 C 0.7906(2) 0.37660(18) 1.01343(16) 0.0325(6) Uani 1 1 d . . . . .
H13 H 0.783752 0.408743 1.052972 0.039 Uiso 1 1 calc R . . . .
C12 C 0.8635(2) 0.3535(2) 1.02451(17) 0.0391(7) Uani 1 1 d . . . . .
H12 H 0.908216 0.371784 1.071426 0.047 Uiso 1 1 calc R . . . .
C19 C 0.4061(2) 0.26263(19) 0.66242(18) 0.0407(7) Uani 1 1 d . . . . .
H19 H 0.444671 0.315026 0.668954 0.049 Uiso 1 1 calc R . . . .
C8 C 0.7276(2) 0.35225(16) 0.94380(15) 0.0270(6) Uani 1 1 d . . . . .
C43 C 0.8696(2) 0.64489(17) 0.91025(17) 0.0341(6) Uani 1 1 d . . . . .
H43 H 0.877414 0.640615 0.864333 0.041 Uiso 1 1 calc R . . . .
C38 C 0.81982(19) 0.57802(15) 0.92418(14) 0.0242(5) Uani 1 1 d . . . . .
C71A C 0.7085(5) 0.1912(3) 0.4161(3) 0.0206(10) Uani 0.6667 1 d . . P A 2
C28 C 0.4832(3) 0.06899(18) 0.6677(2) 0.0464(9) Uani 1 1 d . . . . .
H28 H 0.457419 0.040705 0.617392 0.056 Uiso 1 1 calc R . . . .
C36 C 0.8316(2) 0.29288(18) 0.67439(17) 0.0361(7) Uani 1 1 d . . . . .
H36 H 0.887860 0.286419 0.675714 0.043 Uiso 1 1 calc R . . . .
C56 C 0.6319(2) 0.62816(18) 0.80613(17) 0.0365(7) Uani 1 1 d . . . . .
H56 H 0.633246 0.618873 0.758111 0.044 Uiso 1 1 calc R . . . .
C3 C 0.5624(3) 0.26206(18) 0.98286(18) 0.0368(7) Uani 1 1 d . . . . .
H3 H 0.622566 0.278706 1.017679 0.044 Uiso 1 1 calc R . . . .
C10 C 0.8089(2) 0.28032(19) 0.89801(16) 0.0346(7) Uani 1 1 d . . . . .
H10 H 0.813509 0.245372 0.859227 0.042 Uiso 1 1 calc R . . . .
C34 C 0.7021(2) 0.31334(16) 0.61271(15) 0.0328(6) Uani 1 1 d . . . . .
H34 H 0.668949 0.320700 0.571837 0.039 Uiso 1 1 calc R . . . .
C49 C 0.9067(2) 0.48552(18) 0.78722(17) 0.0347(6) Uani 1 1 d . . . . .
H49 H 0.872950 0.499038 0.751545 0.042 Uiso 1 1 calc R . . . .
C7 C 0.4648(2) 0.27125(16) 0.87931(17) 0.0311(6) Uani 1 1 d . . . . .
C30 C 0.5012(3) 0.07219(19) 0.7899(2) 0.0448(8) Uani 1 1 d . . . . .
H30 H 0.487102 0.046511 0.823360 0.054 Uiso 1 1 calc R . . . .
C53 C 0.6257(2) 0.65473(18) 0.94501(18) 0.0361(7) Uani 1 1 d . . . . .
H53 H 0.622855 0.664042 0.992621 0.043 Uiso 1 1 calc R . . . .
C66A C 0.5503(5) 0.2586(3) 0.1914(3) 0.0262(11) Uani 0.6667 1 d . . P A 2
H66A H 0.507158 0.261028 0.152422 0.031 Uiso 0.6667 1 calc R . P A 2
C20 C 0.3897(2) 0.36365(16) 0.82314(17) 0.0305(6) Uani 1 1 d . . . . .
C54 C 0.6469(2) 0.71422(17) 0.91730(18) 0.0377(7) Uani 1 1 d . . . . .
H54 H 0.659763 0.764752 0.946338 0.045 Uiso 1 1 calc R . . . .
C65A C 0.6363(4) 0.3211(3) 0.2309(3) 0.0259(11) Uani 0.6667 1 d . . P A 2
C11 C 0.8709(3) 0.3042(2) 0.96772(17) 0.0408(8) Uani 1 1 d . . . . .
H11 H 0.918795 0.286442 0.976137 0.049 Uiso 1 1 calc R . . . .
C72A C 0.6192(4) 0.1777(3) 0.4232(2) 0.0215(10) Uani 0.6667 1 d . . P A 2
H72A H 0.581702 0.197301 0.397300 0.026 Uiso 0.6667 1 calc R . P A 2
C15 C 0.3461(3) 0.16300(19) 0.7119(2) 0.0455(8) Uani 1 1 d . . . . .
H15 H 0.342855 0.146245 0.752210 0.055 Uiso 1 1 calc R . . . .
C62A C 0.5303(4) 0.4289(4) 0.6318(3) 0.0283(12) Uani 0.6 1 d . . P C 2
H62A H 0.587910 0.424942 0.632815 0.034 Uiso 0.6 1 calc R . P C 2
C23 C 0.2802(2) 0.44175(19) 0.8500(2) 0.0384(7) Uani 1 1 d . . . . .
H23 H 0.243213 0.469036 0.859250 0.046 Uiso 1 1 calc R . . . .
C5 C 0.3949(3) 0.18029(18) 0.9359(2) 0.0462(9) Uani 1 1 d . . . . .
H5 H 0.341192 0.140246 0.937794 0.055 Uiso 1 1 calc R . . . .
C58A C 0.4301(4) 0.4606(4) 0.6952(3) 0.0250(12) Uani 0.6 1 d . . P C 2
H58A H 0.419014 0.478776 0.738773 0.030 Uiso 0.6 1 calc R . P C 2
F24A F 0.7306(6) -0.0161(4) 0.2095(6) 0.0395(16) Uiso 0.3333 1 d . . P D 1
C29 C 0.4626(3) 0.03119(19) 0.7161(2) 0.0505(9) Uani 1 1 d . . . . .
H29 H 0.422152 -0.022775 0.699041 0.061 Uiso 1 1 calc R . . . .
C4 C 0.4832(3) 0.20351(19) 0.9844(2) 0.0459(9) Uani 1 1 d . . . . .
H4 H 0.489919 0.179031 1.019484 0.055 Uiso 1 1 calc R . . . .
C64A C 0.6985(4) 0.3179(3) 0.2893(3) 0.0232(10) Uani 0.6667 1 d . . P A 2
H64A H 0.756682 0.362345 0.316326 0.028 Uiso 0.6667 1 calc R . P A 2
C46 C 1.0052(2) 0.4455(2) 0.8915(2) 0.0450(8) Uani 1 1 d . . . . .
H46 H 1.038937 0.431935 0.927089 0.054 Uiso 1 1 calc R . . . .
C88A C 0.8914(4) 0.2705(3) 0.3149(2) 0.0269(9) Uani 0.6667 1 d . . P A 2
H88A H 0.906408 0.324219 0.331999 0.032 Uiso 0.6667 1 calc R . P A 2
C76A C 0.7582(4) 0.1593(3) 0.4561(3) 0.0245(10) Uani 0.6667 1 d . . P A 2
H76A H 0.818856 0.165852 0.453455 0.029 Uiso 0.6667 1 calc R . P A 2
C18 C 0.3556(3) 0.2098(2) 0.5932(2) 0.0491(9) Uani 1 1 d . . . . .
H18 H 0.359050 0.226136 0.552640 0.059 Uiso 1 1 calc R . . . .
C55 C 0.6497(3) 0.70140(18) 0.84770(18) 0.0414(8) Uani 1 1 d . . . . .
H55 H 0.663856 0.742684 0.828734 0.050 Uiso 1 1 calc R . . . .
C67A C 0.5286(6) 0.1929(4) 0.2096(4) 0.0282(13) Uani 0.6667 1 d . . P A 2
C87A C 0.8220(4) 0.2189(2) 0.3342(2) 0.0218(8) Uani 0.6667 1 d . . P A 2
C63A C 0.6782(4) 0.2517(3) 0.3093(3) 0.0219(11) Uani 0.6667 1 d . . P A 2
C69A C 0.6667(4) 0.3927(3) 0.2117(3) 0.0239(10) Uani 0.6667 1 d . . P A 2
C83A C 0.9553(3) 0.4225(3) 0.5457(2) 0.0192(7) Uani 0.6667 1 d . . P A 2
C73A C 0.5837(4) 0.1375(3) 0.4658(3) 0.0259(10) Uani 0.6667 1 d . . P A 2
C68A C 0.5909(5) 0.1882(3) 0.2667(3) 0.0249(11) Uani 0.6667 1 d . . P A 2
H68A H 0.574031 0.141163 0.277029 0.030 Uiso 0.6667 1 calc R . P A 2
C79A C 0.8170(4) 0.3316(2) 0.4400(2) 0.0188(8) Uani 0.6667 1 d . . P A 2
C25 C 0.3086(2) 0.34923(19) 0.76897(19) 0.0389(7) Uani 1 1 d . . . . .
H25 H 0.290603 0.312536 0.722513 0.047 Uiso 1 1 calc R . . . .
C16 C 0.2955(3) 0.1101(2) 0.6420(2) 0.0582(11) Uani 1 1 d . . . . .
H16 H 0.257260 0.057441 0.634877 0.070 Uiso 1 1 calc R . . . .
C82A C 0.9084(3) 0.4659(2) 0.5671(2) 0.0210(7) Uani 0.6667 1 d . . P A 2
H82A H 0.938315 0.510401 0.609593 0.025 Uiso 0.6667 1 calc R . P A 2
C48 C 0.9880(2) 0.4772(2) 0.7825(2) 0.0461(9) Uani 1 1 d . . . . .
H48 H 1.011163 0.486508 0.744399 0.055 Uiso 1 1 calc R . . . .
C24 C 0.2538(2) 0.3887(2) 0.7829(2) 0.0437(8) Uani 1 1 d . . . . .
H24 H 0.198313 0.378795 0.746073 0.052 Uiso 1 1 calc R . . . .
C84A C 0.9106(3) 0.3570(3) 0.4833(2) 0.0201(8) Uani 0.6667 1 d . . P A 2
H84A H 0.944999 0.328665 0.469819 0.024 Uiso 0.6667 1 calc R . P A 2
C17 C 0.3008(3) 0.1339(2) 0.5832(2) 0.0605(11) Uani 1 1 d . . . . .
H17 H 0.266356 0.097618 0.535742 0.073 Uiso 1 1 calc R . . . .
C47 C 1.0352(2) 0.4551(2) 0.8337(2) 0.0539(10) Uani 1 1 d . . . . .
H47 H 1.088583 0.446495 0.828911 0.065 Uiso 1 1 calc R . . . .
C80A C 0.7708(4) 0.3772(2) 0.4625(2) 0.0209(8) Uani 0.6667 1 d . . P A 2
H80A H 0.707387 0.362788 0.434448 0.025 Uiso 0.6667 1 calc R . P A 2
C92A C 0.8047(5) 0.1414(3) 0.3074(4) 0.0378(17) Uani 0.6667 1 d . . P A 2
H92A H 0.757864 0.103846 0.318198 0.045 Uiso 0.6667 1 calc R . P A 2
C75A C 0.7225(5) 0.1188(3) 0.4992(3) 0.0272(11) Uani 0.6667 1 d . . P A 2
C74A C 0.6347(4) 0.1069(3) 0.5044(3) 0.0276(11) Uani 0.6667 1 d . . P A 2
H74A H 0.609677 0.078651 0.533389 0.033 Uiso 0.6667 1 calc R . P A 2
C86A C 1.0517(3) 0.4422(2) 0.5941(2) 0.0248(8) Uani 0.6667 1 d . . P A 2
C89A C 0.9392(4) 0.2457(3) 0.2716(3) 0.0336(10) Uani 0.6667 1 d . . P A 2
C85A C 0.7620(4) 0.4864(3) 0.5471(2) 0.0281(9) Uani 0.6667 1 d . . P A 2
B1A B 0.7566(4) 0.2476(3) 0.3745(3) 0.0201(10) Uani 0.6667 1 d . . P A 2
C59A C 0.3619(4) 0.4391(4) 0.6290(3) 0.0349(13) Uani 0.6 1 d . . P C 2
H59A H 0.303341 0.441297 0.627670 0.042 Uiso 0.6 1 calc R . P C 2
C78A C 0.7831(6) 0.0899(3) 0.5416(3) 0.0403(13) Uani 0.6667 1 d . . P A 2
C77A C 0.4884(5) 0.1249(4) 0.4683(3) 0.0339(12) Uani 0.6667 1 d . . P A 2
C81A C 0.8146(3) 0.4416(2) 0.5234(2) 0.0209(7) Uani 0.6667 1 d . . P A 2
C70A C 0.4350(6) 0.1261(4) 0.1702(4) 0.0361(16) Uani 0.6667 1 d . . P A 2
F20A F 1.0254(5) 0.3763(4) 0.2797(4) 0.0494(15) Uiso 0.3333 1 d . . P A 1
F6B F 0.4170(8) 0.0723(7) 0.1937(6) 0.067(3) Uiso 0.3 1 d . . P A 2
C61A C 0.4620(5) 0.4086(5) 0.5653(3) 0.0432(16) Uani 0.6 1 d . . P C 2
H61A H 0.472786 0.391148 0.521359 0.052 Uiso 0.6 1 calc R . P C 2
F23C F 0.8317(7) 0.0055(5) 0.1603(6) 0.075(3) Uiso 0.3333 1 d . . P D 3
F22B F 0.8255(11) -0.0039(7) 0.2791(8) 0.100(4) Uiso 0.3333 1 d . . P D 2
C91A C 0.8533(6) 0.1172(4) 0.2656(5) 0.053(2) Uani 0.6667 1 d . . P A 2
C90A C 0.9213(5) 0.1684(4) 0.2465(4) 0.0470(16) Uani 0.6667 1 d . . P A 2
H90A H 0.954104 0.151159 0.217482 0.056 Uiso 0.6667 1 calc R . P A 2
C60A C 0.3782(5) 0.4143(5) 0.5648(3) 0.0489(18) Uani 0.6 1 d . . P C 2
H60A H 0.331444 0.401194 0.520065 0.059 Uiso 0.6 1 calc R . P C 2
F21C F 1.0726(7) 0.2645(5) 0.2173(5) 0.067(2) Uiso 0.3333 1 d . . P A 3
C94 C 0.8312(5) 0.0292(3) 0.2357(4) 0.0864(18) Uani 1 1 d . . . . .
F20B F 0.9651(7) 0.3230(6) 0.1958(5) 0.080(2) Uiso 0.3333 1 d . . P A 2
F17B F 1.1142(6) 0.3667(5) 0.5593(5) 0.075(2) Uiso 0.3333 1 d . . P B 1
B1B B 0.7809(9) 0.2429(7) 0.3678(7) 0.024(3) Uiso 0.3333 1 d . . P B 1
F18B F 1.0477(11) 0.4007(8) 0.6356(8) 0.029(2) Uiso 0.3333 1 d . . P B 1
C86B C 1.0779(10) 0.4147(8) 0.5885(8) 0.055(3) Uiso 0.3333 1 d . . P B 1
F16B F 1.1469(8) 0.4844(6) 0.6081(6) 0.094(3) Uiso 0.3333 1 d . . P B 1
C83B C 0.9836(9) 0.4057(7) 0.5433(6) 0.041(3) Uiso 0.3333 1 d . . P B 1
C82B C 0.9449(10) 0.4530(8) 0.5631(7) 0.038(3) Uiso 0.3333 1 d . . P B 1
H82B H 0.980394 0.496425 0.606263 0.046 Uiso 0.3333 1 calc R . P B 1
C84B C 0.9337(9) 0.3425(7) 0.4790(7) 0.035(3) Uiso 0.3333 1 d . . P B 1
H84B H 0.961961 0.309199 0.464478 0.042 Uiso 0.3333 1 calc R . P B 1
C81B C 0.8585(10) 0.4432(7) 0.5259(7) 0.041(3) Uiso 0.3333 1 d . . P B 1
C79B C 0.8444(9) 0.3268(7) 0.4358(7) 0.032(3) Uiso 0.3333 1 d . . P B 1
C80B C 0.8056(9) 0.3757(7) 0.4579(6) 0.032(3) Uiso 0.3333 1 d . . P B 1
H80B H 0.744388 0.366519 0.429655 0.039 Uiso 0.3333 1 calc R . P B 1
C85B C 0.8145(11) 0.4923(8) 0.5488(7) 0.052(3) Uiso 0.3333 1 d . . P B 1
F13B F 0.8054(6) 0.4967(5) 0.6159(5) 0.060(2) Uiso 0.3333 1 d . . P B 1
F15B F 0.8667(7) 0.5689(6) 0.5609(5) 0.083(3) Uiso 0.3333 1 d . . P B 1
F14B F 0.7297(10) 0.4799(7) 0.5049(7) 0.103(4) Uiso 0.3333 1 d . . P B 1
C71B C 0.7311(11) 0.1862(9) 0.4119(8) 0.033(4) Uiso 0.3333 1 d . . P B 1
C63B C 0.7020(9) 0.2499(8) 0.3064(8) 0.025(3) Uiso 0.3333 1 d . . P B 1
C72B C 0.6472(11) 0.1759(8) 0.4218(7) 0.029(3) Uiso 0.3333 1 d . . P B 1
H72B H 0.611658 0.199330 0.400015 0.035 Uiso 0.3333 1 calc R . P B 1
C76B C 0.7834(9) 0.1558(7) 0.4491(7) 0.028(3) Uiso 0.3333 1 d . . P B 1
H76B H 0.843621 0.163047 0.444794 0.034 Uiso 0.3333 1 calc R . P B 1
C92B C 0.8139(7) 0.1330(5) 0.2971(7) 0.038(5) Uiso 0.3333 1 d . . P B 1
H92B H 0.761254 0.097933 0.305020 0.046 Uiso 0.3333 1 calc R . P B 1
C91B C 0.8613(9) 0.1047(4) 0.2562(7) 0.045(5) Uiso 0.3333 1 d G . P B 1
C90B C 0.9383(8) 0.1559(6) 0.2446(6) 0.052(5) Uiso 0.3333 1 d G . P B 1
H90B H 0.970723 0.136582 0.216624 0.063 Uiso 0.3333 1 calc R . P B 1
C89B C 0.9679(6) 0.2354(6) 0.2739(6) 0.048(4) Uiso 0.3333 1 d G . P B 1
C88B C 0.9205(7) 0.2637(4) 0.3148(5) 0.040(3) Uiso 0.3333 1 d G . P B 1
H88B H 0.940732 0.318092 0.334875 0.048 Uiso 0.3333 1 calc R . P B 1
C87B C 0.8435(7) 0.2125(6) 0.3264(6) 0.038(4) Uiso 0.3333 1 d G . P B 1
C64B C 0.7234(8) 0.3158(7) 0.2845(7) 0.024(3) Uiso 0.3333 1 d . . P B 1
H64B H 0.782826 0.359414 0.309902 0.029 Uiso 0.3333 1 calc R . P B 1
C68B C 0.6154(9) 0.1890(9) 0.2646(8) 0.025(3) Uiso 0.3333 1 d . . P B 1
H68B H 0.599152 0.142361 0.275702 0.030 Uiso 0.3333 1 calc R . P B 1
C73B C 0.6097(9) 0.1302(8) 0.4645(7) 0.031(3) Uiso 0.3333 1 d . . P B 1
C75B C 0.7495(9) 0.1148(7) 0.4927(6) 0.026(3) Uiso 0.3333 1 d . . P B 1
C65B C 0.6611(8) 0.3193(7) 0.2278(7) 0.021(3) Uiso 0.3333 1 d . . P B 1
C67B C 0.5502(10) 0.1904(10) 0.2077(10) 0.025(4) Uiso 0.3333 1 d . . P B 1
C74B C 0.6659(12) 0.1047(8) 0.5020(8) 0.032(3) Uiso 0.3333 1 d . . P B 1
H74B H 0.646285 0.079828 0.534765 0.038 Uiso 0.3333 1 calc R . P B 1
C77B C 0.5188(14) 0.1203(11) 0.4676(10) 0.051(5) Uiso 0.3333 1 d . . P B 1
C78B C 0.8139(10) 0.0888(10) 0.5340(9) 0.036(4) Uiso 0.3333 1 d . . P B 1
C93 C 1.0138(4) 0.3002(3) 0.2523(3) 0.0839(18) Uani 1 1 d . . . . .
C66B C 0.5748(8) 0.2585(8) 0.1878(7) 0.022(3) Uiso 0.3333 1 d . . P B 1
H66B H 0.533030 0.261502 0.148423 0.026 Uiso 0.3333 1 calc R . P B 1
C69B C 0.6926(10) 0.3908(8) 0.2045(8) 0.031(3) Uiso 0.3333 1 d . . P B 1
C70B C 0.4558(12) 0.1216(11) 0.1648(10) 0.029(4) Uiso 0.3333 1 d . . P B 1
F9B F 0.4858(9) 0.0733(7) 0.5082(7) 0.073(4) Uiso 0.3333 1 d . . P B 1
F8B F 0.5047(9) 0.1820(8) 0.4980(7) 0.067(4) Uiso 0.3333 1 d . . P B 1
F7B F 0.4223(10) 0.1007(7) 0.4052(8) 0.067(4) Uiso 0.3333 1 d . . P B 1
F10B F 0.8507(7) 0.0519(7) 0.4922(6) 0.054(3) Uiso 0.3333 1 d . . P B 1
F12B F 0.8868(9) 0.1458(8) 0.5856(7) 0.064(4) Uiso 0.3333 1 d . . P B 1
F11B F 0.7693(7) 0.0379(7) 0.5628(6) 0.061(3) Uiso 0.3333 1 d . . P B 1
F21B F 1.0343(8) 0.2713(6) 0.1989(5) 0.075(2) Uiso 0.3333 1 d . . P A 2
F24B F 0.7406(13) -0.0123(10) 0.1895(9) 0.126(7) Uiso 0.3333 1 d . . P D 2
F23B F 0.8999(7) 0.0156(5) 0.2189(6) 0.072(2) Uiso 0.3333 1 d . . P D 2
F22A F 0.8694(7) 0.0110(5) 0.3080(5) 0.061(2) Uiso 0.3333 1 d . . P D 1
F2B F 0.7195(6) 0.4573(6) 0.2643(5) 0.029(2) Uiso 0.3333 1 d . . P B 1
F3B F 0.6337(8) 0.3818(6) 0.1435(6) 0.090(3) Uiso 0.3333 1 d . . P B 1
F1B F 0.7752(8) 0.4175(7) 0.2053(6) 0.080(4) Uiso 0.3333 1 d . . P B 1
F4B F 0.4204(7) 0.1095(6) 0.0991(6) 0.054(3) Uiso 0.3 1 d . . P A 2
F5C F 0.4614(10) 0.0685(8) 0.1195(8) 0.068(3) Uiso 0.2 1 d . . P E 3
F6A F 0.3759(3) 0.1289(3) 0.2025(3) 0.0929(19) Uani 0.6667 1 d . . P B 1
F19C F 1.1228(6) 0.3185(5) 0.3121(5) 0.0643(19) Uiso 0.3333 1 d . . P A 3
F5B F 0.3698(14) 0.1360(11) 0.1673(12) 0.085(5) Uiso 0.2 1 d . . P A 2
C61B C 0.4944(10) 0.4298(8) 0.5576(8) 0.058(4) Uiso 0.4 1 d . . P C 1
H61B H 0.511334 0.418754 0.515411 0.069 Uiso 0.4 1 calc R . P C 1
C62B C 0.5568(8) 0.4439(6) 0.6245(6) 0.036(3) Uiso 0.4 1 d . . P C 1
H62B H 0.616250 0.442593 0.628197 0.043 Uiso 0.4 1 calc R . P C 1
C57B C 0.5318(8) 0.4595(6) 0.6839(6) 0.026(3) Uiso 0.4 1 d . . P C 1
C59B C 0.3843(9) 0.4518(7) 0.6132(7) 0.044(3) Uiso 0.4 1 d . . P C 1
H59B H 0.326393 0.456134 0.609159 0.053 Uiso 0.4 1 calc R . P C 1
C60B C 0.4088(10) 0.4319(8) 0.5522(8) 0.060(4) Uiso 0.4 1 d . . P C 1
H60B H 0.365504 0.419380 0.505925 0.072 Uiso 0.4 1 calc R . P C 1
C58B C 0.4467(8) 0.4658(7) 0.6816(6) 0.031(3) Uiso 0.4 1 d . . P C 1
H58B H 0.431495 0.478901 0.724348 0.037 Uiso 0.4 1 calc R . P C 1
F19A F 1.0897(7) 0.3006(5) 0.2646(6) 0.071(2) Uiso 0.3333 1 d . . P A 1
F21A F 0.9865(7) 0.2866(5) 0.1788(5) 0.069(2) Uiso 0.3333 1 d . . P A 1
F19B F 1.0660(5) 0.3669(4) 0.3016(4) 0.0530(16) Uiso 0.3333 1 d . . P A 2
F20C F 1.0385(10) 0.3500(9) 0.2503(8) 0.112(4) Uiso 0.3333 1 d . . P A 3
F22C F 0.8772(9) 0.0029(7) 0.2744(7) 0.091(3) Uiso 0.3333 1 d . . P D 3
F23A F 0.8669(6) 0.0074(4) 0.1866(5) 0.0460(15) Uiso 0.3333 1 d . . P D 1
F24C F 0.7557(7) -0.0185(4) 0.2316(5) 0.053(2) Uiso 0.3333 1 d . . P D 3


_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 P3 2.3507(8) . ?
Co1 P2 2.2338(7) . ?
Co1 P4 2.2757(8) . ?
Co1 P1 2.2028(8) . ?
Co1 O1 2.0068(19) . ?
Co1 C1 2.005(3) . ?
P3 P4 2.6664(10) . ?
P3 C50 1.834(3) . ?
P3 C44 1.823(3) . ?
P3 C38 1.833(3) . ?
P2 C32 1.824(3) . ?
P2 C9 1.835(3) . ?
P2 C26 1.834(3) . ?
P4 C50 1.824(3) . ?
P4 C51 1.822(3) . ?
P4 C57A 1.792(5) . ?
P4 C57B 1.919(12) . ?
P1 C14 1.821(3) . ?
P1 C7 1.803(3) . ?
P1 C20 1.822(3) . ?
O1 C1 1.311(3) . ?
F18A C86A 1.470(10) . ?
F2A C69A 1.282(7) . ?
F13A C85A 1.329(5) . ?
F10A C78A 1.345(9) . ?
F12A C78A 1.340(8) . ?
F3A C69A 1.317(6) . ?
F1A C69A 1.381(7) . ?
F17A C86A 1.351(5) . ?
F9A C77A 1.320(6) . ?
F16A C86A 1.333(5) . ?
F8A C77A 1.354(9) . ?
F15A C85A 1.342(5) . ?
F7A C77A 1.308(7) . ?
C50 H50A 0.9900 . ?
C50 H50B 0.9900 . ?
C1 C2 1.514(4) . ?
C1 C8 1.510(4) . ?
C32 C37 1.393(4) . ?
C32 C33 1.401(4) . ?
F5A C70B 1.386(18) . ?
C21 H21 0.9500 . ?
C21 C22 1.382(4) . ?
C21 C20 1.389(4) . ?
C9 C8 1.398(4) . ?
C9 C10 1.390(4) . ?
C51 C52 1.378(4) . ?
C51 C56 1.399(4) . ?
C52 H52 0.9500 . ?
C52 C53 1.391(4) . ?
C14 C19 1.387(5) . ?
C14 C15 1.388(4) . ?
C39 H39 0.9500 . ?
C39 C40 1.391(4) . ?
C39 C38 1.390(4) . ?
C37 H37 0.9500 . ?
C37 C36 1.390(4) . ?
C33 H33 0.9500 . ?
C33 C34 1.389(4) . ?
C41 H41 0.9500 . ?
C41 C40 1.381(5) . ?
C41 C42 1.393(5) . ?
C26 C27 1.392(4) . ?
C26 C31 1.398(4) . ?
C44 C45 1.385(4) . ?
C44 C49 1.391(4) . ?
C35 H35 0.9500 . ?
C35 C36 1.385(5) . ?
C35 C34 1.383(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.389(5) . ?
F14A C85A 1.329(6) . ?
C2 C3 1.396(4) . ?
C2 C7 1.396(4) . ?
F4A C70B 1.206(18) . ?
C40 H40 0.9500 . ?
C42 H42 0.9500 . ?
C42 C43 1.378(4) . ?
C45 H45 0.9500 . ?
C45 C46 1.386(4) . ?
C6 H6 0.9500 . ?
C6 C7 1.403(4) . ?
C6 C5 1.382(5) . ?
C57A C62A 1.408(8) . ?
C57A C58A 1.395(8) . ?
F11A C78A 1.319(8) . ?
C27 H27 0.9500 . ?
C27 C28 1.381(4) . ?
C31 H31 0.9500 . ?
C31 C30 1.386(4) . ?
C13 H13 0.9500 . ?
C13 C12 1.390(4) . ?
C13 C8 1.396(4) . ?
C12 H12 0.9500 . ?
C12 C11 1.377(5) . ?
C19 H19 0.9500 . ?
C19 C18 1.386(5) . ?
C43 H43 0.9500 . ?
C43 C38 1.398(4) . ?
C71A C72A 1.404(8) . ?
C71A C76A 1.410(7) . ?
C71A B1A 1.619(7) . ?
C28 H28 0.9500 . ?
C28 C29 1.382(5) . ?
C36 H36 0.9500 . ?
C56 H56 0.9500 . ?
C56 C55 1.377(4) . ?
C3 H3 0.9500 . ?
C3 C4 1.386(5) . ?
C10 H10 0.9500 . ?
C10 C11 1.392(4) . ?
C34 H34 0.9500 . ?
C49 H49 0.9500 . ?
C49 C48 1.391(5) . ?
C30 H30 0.9500 . ?
C30 C29 1.391(5) . ?
C53 H53 0.9500 . ?
C53 C54 1.374(4) . ?
C66A H66A 0.9500 . ?
C66A C65A 1.378(8) . ?
C66A C67A 1.368(9) . ?
C20 C25 1.392(4) . ?
C54 H54 0.9500 . ?
C54 C55 1.382(5) . ?
C65A C64A 1.399(7) . ?
C65A C69A 1.483(7) . ?
C11 H11 0.9500 . ?
C72A H72A 0.9500 . ?
C72A C73A 1.374(7) . ?
C15 H15 0.9500 . ?
C15 C16 1.395(5) . ?
C62A H62A 0.9500 . ?
C62A C61A 1.399(7) . ?
C23 H23 0.9500 . ?
C23 C24 1.371(5) . ?
C5 H5 0.9500 . ?
C5 C4 1.378(6) . ?
C58A H58A 0.9500 . ?
C58A C59A 1.388(8) . ?
F24A C94 1.434(11) . ?
C29 H29 0.9500 . ?
C4 H4 0.9500 . ?
C64A H64A 0.9500 . ?
C64A C63A 1.398(7) . ?
C46 H46 0.9500 . ?
C46 C47 1.379(6) . ?
C88A H88A 0.9500 . ?
C88A C87A 1.406(6) . ?
C88A C89A 1.396(7) . ?
C76A H76A 0.9500 . ?
C76A C75A 1.386(8) . ?
C18 H18 0.9500 . ?
C18 C17 1.369(6) . ?
C55 H55 0.9500 . ?
C67A C68A 1.395(9) . ?
C67A C70A 1.479(11) . ?
C87A C92A 1.391(8) . ?
C87A B1A 1.630(9) . ?
C63A C68A 1.407(9) . ?
C63A B1A 1.649(8) . ?
C83A C82A 1.382(6) . ?
C83A C84A 1.397(6) . ?
C83A C86A 1.494(6) . ?
C73A C74A 1.388(8) . ?
C73A C77A 1.471(8) . ?
C68A H68A 0.9500 . ?
C79A C84A 1.399(7) . ?
C79A C80A 1.410(6) . ?
C79A B1A 1.641(7) . ?
C25 H25 0.9500 . ?
C25 C24 1.395(5) . ?
C16 H16 0.9500 . ?
C16 C17 1.379(6) . ?
C82A H82A 0.9500 . ?
C82A C81A 1.408(6) . ?
C48 H48 0.9500 . ?
C48 C47 1.388(6) . ?
C24 H24 0.9500 . ?
C84A H84A 0.9500 . ?
C17 H17 0.9500 . ?
C47 H47 0.9500 . ?
C80A H80A 0.9500 . ?
C80A C81A 1.368(5) . ?
C92A H92A 0.9500 . ?
C92A C91A 1.383(11) . ?
C75A C74A 1.373(9) . ?
C75A C78A 1.501(8) . ?
C74A H74A 0.9500 . ?
C89A C90A 1.384(8) . ?
C89A C93 1.484(7) . ?
C85A C81A 1.493(6) . ?
C59A H59A 0.9500 . ?
C59A C60A 1.390(9) . ?
C70A F6B 1.222(13) . ?
C70A F4B 1.343(13) . ?
C70A F5B 1.12(2) . ?
F20A C93 1.395(10) . ?
C61A H61A 0.9500 . ?
C61A C60A 1.385(9) . ?
F23C C94 1.487(11) . ?
F22B C94 1.202(14) . ?
C91A C90A 1.386(8) . ?
C91A C94 1.569(8) . ?
C90A H90A 0.9500 . ?
C60A H60A 0.9500 . ?
F21C C93 1.553(11) . ?
C94 C91B 1.311(9) . ?
C94 F24B 1.361(18) . ?
C94 F23B 1.315(10) . ?
C94 F22A 1.624(12) . ?
C94 F22C 1.275(13) . ?
C94 F23A 1.310(9) . ?
C94 F24C 1.205(10) . ?
F20B C93 1.486(12) . ?
F20B F21B 1.752(15) . ?
F17B C86B 1.364(17) . ?
B1B C79B 1.667(18) . ?
B1B C71B 1.67(2) . ?
B1B C63B 1.635(18) . ?
B1B C87B 1.620(15) . ?
F18B C86B 1.20(2) . ?
C86B F16B 1.313(17) . ?
C86B C83B 1.510(19) . ?
C83B C82B 1.325(18) . ?
C83B C84B 1.398(17) . ?
C82B H82B 0.9500 . ?
C82B C81B 1.346(18) . ?
C84B H84B 0.9500 . ?
C84B C79B 1.386(17) . ?
C81B C80B 1.485(17) . ?
C81B C85B 1.437(19) . ?
C79B C80B 1.362(16) . ?
C80B H80B 0.9500 . ?
C85B F13B 1.380(16) . ?
C85B F15B 1.362(16) . ?
C85B F14B 1.352(18) . ?
C71B C72B 1.352(16) . ?
C71B C76B 1.384(19) . ?
C63B C64B 1.412(18) . ?
C63B C68B 1.38(2) . ?
C72B H72B 0.9500 . ?
C72B C73B 1.45(2) . ?
C76B H76B 0.9500 . ?
C76B C75B 1.392(17) . ?
C92B H92B 0.9500 . ?
C92B C91B 1.3900 . ?
C92B C87B 1.3900 . ?
C91B C90B 1.3900 . ?
C90B H90B 0.9500 . ?
C90B C89B 1.3900 . ?
C89B C88B 1.3900 . ?
C89B C93 1.439(10) . ?
C88B H88B 0.9500 . ?
C88B C87B 1.3900 . ?
C64B H64B 0.9500 . ?
C64B C65B 1.378(17) . ?
C68B H68B 0.9500 . ?
C68B C67B 1.39(2) . ?
C73B C74B 1.355(18) . ?
C73B C77B 1.417(19) . ?
C75B C74B 1.344(16) . ?
C75B C78B 1.489(18) . ?
C65B C66B 1.368(18) . ?
C65B C69B 1.53(2) . ?
C67B C66B 1.43(2) . ?
C67B C70B 1.51(2) . ?
C74B H74B 0.9500 . ?
C77B F9B 1.41(2) . ?
C77B F8B 1.35(2) . ?
C77B F7B 1.62(2) . ?
C78B F10B 1.351(17) . ?
C78B F12B 1.30(2) . ?
C78B F11B 1.335(18) . ?
C93 F21B 1.263(11) . ?
C93 F19C 1.752(11) . ?
C93 F19A 1.184(10) . ?
C93 F21A 1.382(10) . ?
C93 F19B 1.287(9) . ?
C93 F20C 0.927(14) . ?
C66B H66B 0.9500 . ?
C69B F2B 1.409(17) . ?
C69B F3B 1.309(18) . ?
C69B F1B 1.232(18) . ?
C70B F6A 1.658(15) . ?
C61B H61B 0.9500 . ?
C61B C62B 1.393(18) . ?
C61B C60B 1.368(19) . ?
C62B H62B 0.9500 . ?
C62B C57B 1.348(14) . ?
C57B C58B 1.406(15) . ?
C59B H59B 0.9500 . ?
C59B C60B 1.386(17) . ?
C59B C58B 1.417(17) . ?
C60B H60B 0.9500 . ?
C58B H58B 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
P2 Co1 P3 91.15(3) . . ?
P2 Co1 P4 126.55(3) . . ?
P4 Co1 P3 70.37(3) . . ?
P1 Co1 P3 168.03(3) . . ?
P1 Co1 P2 95.90(3) . . ?
P1 Co1 P4 97.68(3) . . ?
O1 Co1 P3 92.82(6) . . ?
O1 Co1 P2 118.59(6) . . ?
O1 Co1 P4 112.22(6) . . ?
O1 Co1 P1 92.28(6) . . ?
C1 Co1 P3 104.22(8) . . ?
C1 Co1 P2 81.77(8) . . ?
C1 Co1 P4 150.36(8) . . ?
C1 Co1 P1 86.40(8) . . ?
C1 Co1 O1 38.15(9) . . ?
Co1 P3 P4 53.50(2) . . ?
C50 P3 Co1 90.68(9) . . ?
C50 P3 P4 43.05(9) . . ?
C44 P3 Co1 131.08(9) . . ?
C44 P3 P4 145.51(10) . . ?
C44 P3 C50 106.14(13) . . ?
C44 P3 C38 100.91(13) . . ?
C38 P3 Co1 119.18(9) . . ?
C38 P3 P4 102.22(9) . . ?
C38 P3 C50 104.42(12) . . ?
C32 P2 Co1 116.19(9) . . ?
C32 P2 C9 111.06(13) . . ?
C32 P2 C26 100.37(13) . . ?
C9 P2 Co1 98.61(9) . . ?
C26 P2 Co1 126.92(10) . . ?
C26 P2 C9 102.66(13) . . ?
Co1 P4 P3 56.13(2) . . ?
C50 P4 Co1 93.36(9) . . ?
C50 P4 P3 43.35(8) . . ?
C50 P4 C57B 98.1(3) . . ?
C51 P4 Co1 118.21(9) . . ?
C51 P4 P3 99.00(9) . . ?
C51 P4 C50 101.67(13) . . ?
C51 P4 C57B 104.1(4) . . ?
C57A P4 Co1 128.96(19) . . ?
C57A P4 P3 150.3(2) . . ?
C57A P4 C50 110.4(2) . . ?
C57A P4 C51 100.82(19) . . ?
C57B P4 Co1 132.7(3) . . ?
C57B P4 P3 138.7(3) . . ?
C14 P1 Co1 119.91(11) . . ?
C14 P1 C20 104.12(14) . . ?
C7 P1 Co1 102.97(10) . . ?
C7 P1 C14 108.94(15) . . ?
C7 P1 C20 102.10(14) . . ?
C20 P1 Co1 117.23(10) . . ?
C1 O1 Co1 70.85(14) . . ?
P3 C50 H50A 113.0 . . ?
P3 C50 H50B 113.0 . . ?
P4 C50 P3 93.60(13) . . ?
P4 C50 H50A 113.0 . . ?
P4 C50 H50B 113.0 . . ?
H50A C50 H50B 110.4 . . ?
O1 C1 Co1 71.00(14) . . ?
O1 C1 C2 116.1(2) . . ?
O1 C1 C8 123.9(2) . . ?
C2 C1 Co1 116.09(19) . . ?
C8 C1 Co1 109.04(18) . . ?
C8 C1 C2 113.2(2) . . ?
C37 C32 P2 126.1(2) . . ?
C37 C32 C33 118.8(3) . . ?
C33 C32 P2 115.1(2) . . ?
C22 C21 H21 119.9 . . ?
C22 C21 C20 120.1(3) . . ?
C20 C21 H21 119.9 . . ?
C8 C9 P2 111.4(2) . . ?
C10 C9 P2 129.3(2) . . ?
C10 C9 C8 119.3(3) . . ?
C52 C51 P4 121.7(2) . . ?
C52 C51 C56 119.4(3) . . ?
C56 C51 P4 118.6(2) . . ?
C51 C52 H52 120.0 . . ?
C51 C52 C53 119.9(3) . . ?
C53 C52 H52 120.0 . . ?
C19 C14 P1 116.9(2) . . ?
C19 C14 C15 118.8(3) . . ?
C15 C14 P1 124.3(3) . . ?
C40 C39 H39 120.2 . . ?
C38 C39 H39 120.2 . . ?
C38 C39 C40 119.7(3) . . ?
C32 C37 H37 120.0 . . ?
C36 C37 C32 119.9(3) . . ?
C36 C37 H37 120.0 . . ?
C32 C33 H33 119.6 . . ?
C34 C33 C32 120.8(3) . . ?
C34 C33 H33 119.6 . . ?
C40 C41 H41 120.2 . . ?
C40 C41 C42 119.6(3) . . ?
C42 C41 H41 120.2 . . ?
C27 C26 P2 121.5(2) . . ?
C27 C26 C31 118.4(3) . . ?
C31 C26 P2 120.1(2) . . ?
C45 C44 P3 119.2(2) . . ?
C45 C44 C49 120.0(3) . . ?
C49 C44 P3 120.8(2) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C34 C35 C36 119.6(3) . . ?
C21 C22 H22 120.0 . . ?
C21 C22 C23 119.9(3) . . ?
C23 C22 H22 120.0 . . ?
C3 C2 C1 121.9(3) . . ?
C7 C2 C1 118.8(3) . . ?
C7 C2 C3 119.2(3) . . ?
C39 C40 H40 119.6 . . ?
C41 C40 C39 120.7(3) . . ?
C41 C40 H40 119.6 . . ?
C41 C42 H42 120.0 . . ?
C43 C42 C41 120.0(3) . . ?
C43 C42 H42 120.0 . . ?
C44 C45 H45 119.8 . . ?
C44 C45 C46 120.4(3) . . ?
C46 C45 H45 119.8 . . ?
C7 C6 H6 120.1 . . ?
C5 C6 H6 120.1 . . ?
C5 C6 C7 119.8(3) . . ?
C62A C57A P4 118.9(4) . . ?
C58A C57A P4 121.7(4) . . ?
C58A C57A C62A 119.2(5) . . ?
C26 C27 H27 119.6 . . ?
C28 C27 C26 120.7(3) . . ?
C28 C27 H27 119.6 . . ?
C26 C31 H31 119.5 . . ?
C30 C31 C26 121.1(3) . . ?
C30 C31 H31 119.5 . . ?
C12 C13 H13 120.2 . . ?
C12 C13 C8 119.6(3) . . ?
C8 C13 H13 120.2 . . ?
C13 C12 H12 119.9 . . ?
C11 C12 C13 120.2(3) . . ?
C11 C12 H12 119.9 . . ?
C14 C19 H19 119.5 . . ?
C18 C19 C14 121.0(3) . . ?
C18 C19 H19 119.5 . . ?
C9 C8 C1 116.0(2) . . ?
C13 C8 C1 123.5(3) . . ?
C13 C8 C9 120.1(3) . . ?
C42 C43 H43 119.7 . . ?
C42 C43 C38 120.6(3) . . ?
C38 C43 H43 119.7 . . ?
C39 C38 P3 121.8(2) . . ?
C39 C38 C43 119.3(3) . . ?
C43 C38 P3 118.8(2) . . ?
C72A C71A C76A 114.1(5) . . ?
C72A C71A B1A 123.2(5) . . ?
C76A C71A B1A 122.2(6) . . ?
C27 C28 H28 119.8 . . ?
C27 C28 C29 120.4(3) . . ?
C29 C28 H28 119.8 . . ?
C37 C36 H36 119.5 . . ?
C35 C36 C37 120.9(3) . . ?
C35 C36 H36 119.5 . . ?
C51 C56 H56 119.7 . . ?
C55 C56 C51 120.6(3) . . ?
C55 C56 H56 119.7 . . ?
C2 C3 H3 120.1 . . ?
C4 C3 C2 119.9(3) . . ?
C4 C3 H3 120.1 . . ?
C9 C10 H10 120.1 . . ?
C9 C10 C11 119.9(3) . . ?
C11 C10 H10 120.1 . . ?
C33 C34 H34 120.0 . . ?
C35 C34 C33 120.0(3) . . ?
C35 C34 H34 120.0 . . ?
C44 C49 H49 120.2 . . ?
C48 C49 C44 119.6(3) . . ?
C48 C49 H49 120.2 . . ?
C2 C7 P1 114.1(2) . . ?
C2 C7 C6 120.0(3) . . ?
C6 C7 P1 126.0(3) . . ?
C31 C30 H30 120.3 . . ?
C31 C30 C29 119.4(3) . . ?
C29 C30 H30 120.3 . . ?
C52 C53 H53 120.0 . . ?
C54 C53 C52 120.0(3) . . ?
C54 C53 H53 120.0 . . ?
C65A C66A H66A 120.8 . . ?
C67A C66A H66A 120.8 . . ?
C67A C66A C65A 118.4(6) . . ?
C21 C20 P1 116.9(2) . . ?
C21 C20 C25 119.6(3) . . ?
C25 C20 P1 123.5(2) . . ?
C53 C54 H54 119.6 . . ?
C53 C54 C55 120.8(3) . . ?
C55 C54 H54 119.6 . . ?
C66A C65A C64A 120.6(5) . . ?
C66A C65A C69A 121.3(5) . . ?
C64A C65A C69A 118.1(5) . . ?
C12 C11 C10 120.5(3) . . ?
C12 C11 H11 119.8 . . ?
C10 C11 H11 119.8 . . ?
C71A C72A H72A 118.5 . . ?
C73A C72A C71A 122.9(5) . . ?
C73A C72A H72A 118.5 . . ?
C14 C15 H15 120.0 . . ?
C14 C15 C16 119.9(4) . . ?
C16 C15 H15 120.0 . . ?
C57A C62A H62A 119.5 . . ?
C61A C62A C57A 121.0(5) . . ?
C61A C62A H62A 119.5 . . ?
C22 C23 H23 119.7 . . ?
C24 C23 C22 120.6(3) . . ?
C24 C23 H23 119.7 . . ?
C6 C5 H5 120.1 . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 H5 120.1 . . ?
C57A C58A H58A 120.2 . . ?
C59A C58A C57A 119.6(6) . . ?
C59A C58A H58A 120.2 . . ?
C28 C29 C30 120.0(3) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C3 C4 H4 119.5 . . ?
C5 C4 C3 121.0(3) . . ?
C5 C4 H4 119.5 . . ?
C65A C64A H64A 118.8 . . ?
C63A C64A C65A 122.3(5) . . ?
C63A C64A H64A 118.8 . . ?
C45 C46 H46 120.2 . . ?
C47 C46 C45 119.6(3) . . ?
C47 C46 H46 120.2 . . ?
C87A C88A H88A 118.8 . . ?
C89A C88A H88A 118.8 . . ?
C89A C88A C87A 122.4(4) . . ?
C71A C76A H76A 118.5 . . ?
C75A C76A C71A 123.0(6) . . ?
C75A C76A H76A 118.5 . . ?
C19 C18 H18 120.0 . . ?
C17 C18 C19 119.9(4) . . ?
C17 C18 H18 120.0 . . ?
C56 C55 C54 119.3(3) . . ?
C56 C55 H55 120.4 . . ?
C54 C55 H55 120.4 . . ?
C66A C67A C68A 121.7(6) . . ?
C66A C67A C70A 119.5(6) . . ?
C68A C67A C70A 118.8(6) . . ?
C88A C87A B1A 121.0(4) . . ?
C92A C87A C88A 115.1(5) . . ?
C92A C87A B1A 123.2(5) . . ?
C64A C63A C68A 115.6(5) . . ?
C64A C63A B1A 121.0(5) . . ?
C68A C63A B1A 123.2(5) . . ?
F2A C69A F3A 101.3(5) . . ?
F2A C69A F1A 112.2(5) . . ?
F2A C69A C65A 113.3(5) . . ?
F3A C69A F1A 104.3(4) . . ?
F3A C69A C65A 113.1(5) . . ?
F1A C69A C65A 111.9(5) . . ?
C82A C83A C84A 120.9(4) . . ?
C82A C83A C86A 118.7(4) . . ?
C84A C83A C86A 120.1(5) . . ?
C72A C73A C74A 121.3(6) . . ?
C72A C73A C77A 118.8(5) . . ?
C74A C73A C77A 119.9(5) . . ?
C67A C68A C63A 121.4(5) . . ?
C67A C68A H68A 119.3 . . ?
C63A C68A H68A 119.3 . . ?
C84A C79A C80A 115.8(4) . . ?
C84A C79A B1A 123.5(5) . . ?
C80A C79A B1A 120.0(4) . . ?
C20 C25 H25 120.0 . . ?
C20 C25 C24 120.0(3) . . ?
C24 C25 H25 120.0 . . ?
C15 C16 H16 119.9 . . ?
C17 C16 C15 120.3(4) . . ?
C17 C16 H16 119.9 . . ?
C83A C82A H82A 121.4 . . ?
C83A C82A C81A 117.3(4) . . ?
C81A C82A H82A 121.4 . . ?
C49 C48 H48 120.1 . . ?
C47 C48 C49 119.7(3) . . ?
C47 C48 H48 120.1 . . ?
C23 C24 C25 119.8(3) . . ?
C23 C24 H24 120.1 . . ?
C25 C24 H24 120.1 . . ?
C83A C84A C79A 122.3(5) . . ?
C83A C84A H84A 118.8 . . ?
C79A C84A H84A 118.8 . . ?
C18 C17 C16 120.1(3) . . ?
C18 C17 H17 120.0 . . ?
C16 C17 H17 120.0 . . ?
C46 C47 C48 120.6(3) . . ?
C46 C47 H47 119.7 . . ?
C48 C47 H47 119.7 . . ?
C79A C80A H80A 119.0 . . ?
C81A C80A C79A 122.0(4) . . ?
C81A C80A H80A 119.0 . . ?
C87A C92A H92A 118.8 . . ?
C91A C92A C87A 122.4(5) . . ?
C91A C92A H92A 118.8 . . ?
C76A C75A C78A 118.4(6) . . ?
C74A C75A C76A 120.9(5) . . ?
C74A C75A C78A 120.7(6) . . ?
C73A C74A H74A 121.1 . . ?
C75A C74A C73A 117.8(5) . . ?
C75A C74A H74A 121.1 . . ?
F18A C86A C83A 116.9(5) . . ?
F17A C86A F18A 100.8(5) . . ?
F17A C86A C83A 112.8(3) . . ?
F16A C86A F18A 105.3(5) . . ?
F16A C86A F17A 107.2(3) . . ?
F16A C86A C83A 112.7(4) . . ?
C88A C89A C93 122.6(4) . . ?
C90A C89A C88A 121.1(4) . . ?
C90A C89A C93 116.3(5) . . ?
F13A C85A F15A 105.5(4) . . ?
F13A C85A F14A 104.1(4) . . ?
F13A C85A C81A 113.1(4) . . ?
F15A C85A C81A 112.8(4) . . ?
F14A C85A F15A 107.5(4) . . ?
F14A C85A C81A 113.1(4) . . ?
C71A B1A C87A 113.0(4) . . ?
C71A B1A C63A 113.0(5) . . ?
C71A B1A C79A 102.1(4) . . ?
C87A B1A C63A 104.1(4) . . ?
C87A B1A C79A 113.4(4) . . ?
C79A B1A C63A 111.5(4) . . ?
C58A C59A H59A 119.6 . . ?
C58A C59A C60A 120.8(5) . . ?
C60A C59A H59A 119.6 . . ?
F10A C78A C75A 113.0(5) . . ?
F12A C78A F10A 103.6(7) . . ?
F12A C78A C75A 112.8(5) . . ?
F11A C78A F10A 105.6(6) . . ?
F11A C78A F12A 107.5(6) . . ?
F11A C78A C75A 113.6(7) . . ?
F9A C77A F8A 105.2(6) . . ?
F9A C77A C73A 114.6(6) . . ?
F8A C77A C73A 111.4(5) . . ?
F7A C77A F9A 105.8(5) . . ?
F7A C77A F8A 114.9(7) . . ?
F7A C77A C73A 105.1(5) . . ?
C82A C81A C85A 117.9(4) . . ?
C80A C81A C82A 121.7(4) . . ?
C80A C81A C85A 120.4(4) . . ?
F6B C70A C67A 115.9(8) . . ?
F6B C70A F4B 118.0(9) . . ?
F4B C70A C67A 108.5(8) . . ?
F5B C70A C67A 118.5(12) . . ?
F5B C70A F6B 100.1(13) . . ?
F5B C70A F4B 94.2(12) . . ?
C62A C61A H61A 120.6 . . ?
C60A C61A C62A 118.7(5) . . ?
C60A C61A H61A 120.6 . . ?
C92A C91A C90A 122.1(6) . . ?
C92A C91A C94 120.9(5) . . ?
C90A C91A C94 117.0(7) . . ?
C89A C90A C91A 116.8(6) . . ?
C89A C90A H90A 121.6 . . ?
C91A C90A H90A 121.6 . . ?
C59A C60A H60A 119.7 . . ?
C61A C60A C59A 120.7(5) . . ?
C61A C60A H60A 119.7 . . ?
F24A C94 F22A 105.4(6) . . ?
F22B C94 C91A 115.1(9) . . ?
F22B C94 F24B 98.3(10) . . ?
F22B C94 F23B 96.9(9) . . ?
C91B C94 F24A 116.3(8) . . ?
C91B C94 F22A 105.5(8) . . ?
F24B C94 C91A 110.1(9) . . ?
F23B C94 C91A 114.9(6) . . ?
F23B C94 F24B 119.7(10) . . ?
F22C C94 F23C 110.7(8) . . ?
F23A C94 F24A 109.3(7) . . ?
F23A C94 C91B 109.2(7) . . ?
F23A C94 F22A 111.0(7) . . ?
F24C C94 F23C 102.3(7) . . ?
F24C C94 F22C 92.8(8) . . ?
C93 F20B F21B 45.0(4) . . ?
C79B B1B C71B 100.2(10) . . ?
C63B B1B C79B 111.1(10) . . ?
C63B B1B C71B 112.1(10) . . ?
C87B B1B C79B 113.8(9) . . ?
C87B B1B C71B 113.5(9) . . ?
C87B B1B C63B 106.2(9) . . ?
F17B C86B C83B 117.4(12) . . ?
F18B C86B F17B 115.4(13) . . ?
F18B C86B F16B 114.4(14) . . ?
F18B C86B C83B 92.2(13) . . ?
F16B C86B F17B 103.8(12) . . ?
F16B C86B C83B 114.1(12) . . ?
C82B C83B C86B 123.0(12) . . ?
C82B C83B C84B 119.0(12) . . ?
C84B C83B C86B 118.0(12) . . ?
C83B C82B H82B 118.0 . . ?
C83B C82B C81B 124.0(13) . . ?
C81B C82B H82B 118.0 . . ?
C83B C84B H84B 118.8 . . ?
C79B C84B C83B 122.3(12) . . ?
C79B C84B H84B 118.8 . . ?
C82B C81B C80B 116.8(12) . . ?
C82B C81B C85B 124.2(14) . . ?
C85B C81B C80B 119.0(13) . . ?
C84B C79B B1B 119.9(11) . . ?
C80B C79B B1B 121.6(11) . . ?
C80B C79B C84B 117.6(12) . . ?
C81B C80B H80B 119.8 . . ?
C79B C80B C81B 120.4(12) . . ?
C79B C80B H80B 119.8 . . ?
F13B C85B C81B 113.6(11) . . ?
F15B C85B C81B 114.2(12) . . ?
F15B C85B F13B 99.8(10) . . ?
F14B C85B C81B 119.2(13) . . ?
F14B C85B F13B 106.4(13) . . ?
F14B C85B F15B 101.3(11) . . ?
C72B C71B B1B 124.1(13) . . ?
C72B C71B C76B 116.6(14) . . ?
C76B C71B B1B 118.6(12) . . ?
C64B C63B B1B 121.8(11) . . ?
C68B C63B B1B 123.3(12) . . ?
C68B C63B C64B 114.2(12) . . ?
C71B C72B H72B 118.9 . . ?
C71B C72B C73B 122.2(13) . . ?
C73B C72B H72B 118.9 . . ?
C71B C76B H76B 119.4 . . ?
C71B C76B C75B 121.2(12) . . ?
C75B C76B H76B 119.4 . . ?
C91B C92B H92B 120.0 . . ?
C91B C92B C87B 120.0 . . ?
C87B C92B H92B 120.0 . . ?
C94 C91B C92B 114.4(8) . . ?
C94 C91B C90B 125.4(8) . . ?
C90B C91B C92B 120.0 . . ?
C91B C90B H90B 120.0 . . ?
C91B C90B C89B 120.0 . . ?
C89B C90B H90B 120.0 . . ?
C90B C89B C93 133.6(7) . . ?
C88B C89B C90B 120.0 . . ?
C88B C89B C93 101.7(7) . . ?
C89B C88B H88B 120.0 . . ?
C87B C88B C89B 120.0 . . ?
C87B C88B H88B 120.0 . . ?
C92B C87B B1B 118.4(8) . . ?
C88B C87B B1B 121.4(8) . . ?
C88B C87B C92B 120.0 . . ?
C63B C64B H64B 118.8 . . ?
C65B C64B C63B 122.4(12) . . ?
C65B C64B H64B 118.8 . . ?
C63B C68B H68B 117.4 . . ?
C63B C68B C67B 125.1(14) . . ?
C67B C68B H68B 117.4 . . ?
C74B C73B C72B 118.2(13) . . ?
C74B C73B C77B 124.9(14) . . ?
C77B C73B C72B 116.8(13) . . ?
C76B C75B C78B 116.9(11) . . ?
C74B C75B C76B 121.6(12) . . ?
C74B C75B C78B 121.2(12) . . ?
C64B C65B C69B 118.9(11) . . ?
C66B C65B C64B 122.3(12) . . ?
C66B C65B C69B 118.6(11) . . ?
C68B C67B C66B 118.5(14) . . ?
C68B C67B C70B 122.2(15) . . ?
C66B C67B C70B 119.2(14) . . ?
C73B C74B H74B 120.1 . . ?
C75B C74B C73B 119.7(14) . . ?
C75B C74B H74B 120.1 . . ?
C73B C77B F7B 131.2(15) . . ?
F9B C77B C73B 113.6(14) . . ?
F9B C77B F7B 102.8(14) . . ?
F8B C77B C73B 120.2(16) . . ?
F8B C77B F9B 99.9(14) . . ?
F8B C77B F7B 82.0(12) . . ?
F10B C78B C75B 112.7(13) . . ?
F12B C78B C75B 113.2(14) . . ?
F12B C78B F10B 105.1(12) . . ?
F12B C78B F11B 108.0(13) . . ?
F11B C78B C75B 112.3(11) . . ?
F11B C78B F10B 104.9(13) . . ?
C89A C93 F20B 107.0(6) . . ?
F20A C93 C89B 127.8(6) . . ?
F21C C93 F19C 65.4(6) . . ?
F21B C93 C89A 116.8(6) . . ?
F21B C93 F20B 78.7(7) . . ?
F21B C93 F19B 125.6(7) . . ?
F19A C93 F20A 108.4(7) . . ?
F19A C93 C89B 98.2(8) . . ?
F19A C93 F21A 102.5(7) . . ?
F21A C93 F20A 101.7(7) . . ?
F21A C93 C89B 115.5(7) . . ?
F19B C93 C89A 115.2(5) . . ?
F19B C93 F20B 100.6(7) . . ?
F20C C93 F21C 101.7(11) . . ?
F20C C93 F19C 91.0(11) . . ?
C65B C66B C67B 117.3(12) . . ?
C65B C66B H66B 121.3 . . ?
C67B C66B H66B 121.3 . . ?
F2B C69B C65B 108.7(12) . . ?
F3B C69B C65B 112.9(12) . . ?
F3B C69B F2B 118.1(11) . . ?
F1B C69B C65B 115.8(11) . . ?
F1B C69B F2B 87.6(10) . . ?
F1B C69B F3B 111.5(15) . . ?
F5A C70B C67B 118.7(14) . . ?
F5A C70B F6A 81.5(8) . . ?
F4A C70B F5A 117.4(14) . . ?
F4A C70B C67B 121.6(14) . . ?
F4A C70B F6A 93.7(11) . . ?
C67B C70B F6A 109.0(12) . . ?
C93 F21B F20B 56.3(6) . . ?
C62B C61B H61B 119.8 . . ?
C60B C61B H61B 119.8 . . ?
C60B C61B C62B 120.4(13) . . ?
C61B C62B H62B 120.4 . . ?
C57B C62B C61B 119.2(12) . . ?
C57B C62B H62B 120.4 . . ?
C62B C57B P4 126.9(9) . . ?
C62B C57B C58B 122.5(11) . . ?
C58B C57B P4 110.6(8) . . ?
C60B C59B H59B 120.4 . . ?
C60B C59B C58B 119.3(12) . . ?
C58B C59B H59B 120.4 . . ?
C61B C60B C59B 120.9(14) . . ?
C61B C60B H60B 119.5 . . ?
C59B C60B H60B 119.5 . . ?
C57B C58B C59B 117.5(10) . . ?
C57B C58B H58B 121.3 . . ?
C59B C58B H58B 121.3 . . ?

_olex2_submission_special_instructions 'No special instructions were received'
