# Electronic Supplementary Material (ESI) for New Journal of Chemistry.
# This journal is © The Royal Society of Chemistry and the Centre National de la Recherche Scientifique 2018

####################################################################### 
# 
# 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_complex8
_database_code_depnum_ccdc_archive 'CCDC 1840080'
_audit_update_record             
;
2018-07-27 deposited with the CCDC.
2018-08-07 downloaded from the CCDC.
;
_audit_creation_date             2018-07-27
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_chemical_formula_moiety         'C23 H26 Co F4 N P2'
_chemical_formula_sum            'C23 H26 Co F4 N P2'
_chemical_formula_weight         513.34
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_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Co 0.35655 0.96576 12.28410 7.34090 4.00340 2.34880 4.27910 0.27840 13.53590
71.16920 1.01180005074
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
F 0.01794 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.277599990368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
P 0.10434 0.09671 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11489999294
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,y+1/2,-z+1/2
3 -x,-y,-z
4 x,-y-1/2,z-1/2

_symmetry_Int_Tables_number      14
_cell_length_a                   14.433(7)
_cell_length_b                   12.378(6)
_cell_length_c                   13.442(6)
_cell_angle_alpha                90
_cell_angle_beta                 102.169(8)
_cell_angle_gamma                90
_cell_volume                     2347.4(19)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    3759
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.45
_cell_measurement_theta_min      2.19
_exptl_absorpt_coefficient_mu    0.909
_exptl_absorpt_correction_T_max  0.9146
_exptl_absorpt_correction_T_min  0.9146
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'metallic dark red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.4524
_exptl_crystal_density_meas      .
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1058.7437
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0297
_diffrn_reflns_av_unetI/netI     0.0413
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12675
_diffrn_reflns_theta_full        24.9979
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.19
_diffrn_ambient_temperature      293.15
_diffrn_measured_fraction_theta_full 0.9773
_diffrn_measured_fraction_theta_max 0.9773
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              16
_reflns_limit_h_min              -17
_reflns_limit_k_max              14
_reflns_limit_k_min              0
_reflns_limit_l_max              15
_reflns_limit_l_min              0
_reflns_number_gt                3082
_reflns_number_total             4041
_reflns_threshold_expression     I>=2u(I)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_refine_diff_density_max         0.4637
_refine_diff_density_min         -0.3872
_refine_diff_density_rms         0.0884
_refine_ls_d_res_high            0.8409
_refine_ls_d_res_low             9.3046
_refine_ls_goodness_of_fit_ref   0.9940
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    38
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4041
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0481
_refine_ls_R_factor_gt           0.0324
_refine_ls_restrained_S_all      0.9940
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0672P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0919
_refine_ls_wR_factor_ref         0.1047
_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.a Aromatic/amide H refined with riding coordinates:
 C21(H21), C22(H22), C15(H15), C17(H17), C16(H16), C23(H23), C13(H13)
2.b Idealised Me refined as rotating group:
 C1(H1a,H1b,H1c), C2(H2a,H2b,H2c), C6(H6a,H6b,H6c), C5(H5a,H5b,H5c), C4(H4a,
 H4b,H4c), C3(H3a,H3b,H3c)
;
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_refinement_flags_posn
Co1 Co 0.21789(2) 0.99692(2) 0.14819(2) 0.03650(13) Uani 1.000000 .
P2 P 0.25053(5) 1.16790(5) 0.16177(5) 0.04289(19) Uani 1.000000 .
P1 P 0.13603(5) 0.84961(5) 0.11565(5) 0.04544(19) Uani 1.000000 .
F1 F 0.18042(13) 1.04092(16) -0.10934(11) 0.0705(5) Uani 1.000000 .
F4 F 0.51453(12) 0.84024(15) 0.04176(14) 0.0720(5) Uani 1.000000 .
F2 F 0.29586(17) 0.98979(14) -0.23072(12) 0.0767(6) Uani 1.000000 .
C7 C 0.37325(17) 0.91958(19) 0.07279(18) 0.0413(6) Uani 1.000000 .
N1 N 0.33362(14) 0.93645(16) 0.22816(14) 0.0408(5) Uani 1.000000 .
C13 C 0.39694(18) 0.9023(2) 0.18023(18) 0.0445(6) Uani 1.000000 .
C8 C 0.28411(19) 0.9714(2) 0.03774(18) 0.0403(6) Uani 1.000000 .
C9 C 0.2622(2) 0.9917(2) -0.0658(2) 0.0464(7) Uani 1.000000 .
C10 C 0.3204(2) 0.9640(2) -0.13070(19) 0.0525(7) Uani 1.000000 .
C18 C 0.2492(3) 0.9679(2) 0.4647(2) 0.0584(8) Uani 1.000000 .
C20 C 0.1804(2) 1.00504(19) 0.2803(2) 0.0450(6) Uani 1.000000 .
C19 C 0.2555(2) 0.9679(2) 0.36088(18) 0.0473(7) Uani 1.000000 .
C12 C 0.43050(19) 0.8902(2) 0.0061(2) 0.0512(7) Uani 1.000000 .
C11 C 0.4039(2) 0.9115(2) -0.0952(2) 0.0559(8) Uani 1.000000 .
C21 C 0.0995(2) 1.0389(2) 0.3098(2) 0.0585(8) Uani 1.000000 .
H21 H 0.0485(2) 1.0632(2) 0.2606(2) 0.0702(9) Uiso 1.000000 R
C22 C 0.0919(3) 1.0377(3) 0.4140(3) 0.0711(10) Uani 1.000000 .
H22 H 0.0359(3) 1.0609(3) 0.4309(3) 0.0853(12) Uiso 1.000000 R
C15 C 0.4150(2) 0.8944(2) 0.4066(2) 0.0607(8) Uani 1.000000 .
H15 H 0.4695(2) 0.8687(2) 0.3881(2) 0.0729(10) Uiso 1.000000 R
C14 C 0.3397(2) 0.9301(2) 0.33477(18) 0.0456(6) Uani 1.000000 .
C17 C 0.3283(3) 0.9336(3) 0.5372(2) 0.0724(10) Uani 1.000000 .
H17 H 0.3261(3) 0.9355(3) 0.6058(2) 0.0869(12) Uiso 1.000000 R
C1 C 0.1228(3) 0.7931(3) -0.0117(2) 0.0745(10) Uani 1.000000 .
H1a H 0.1841(3) 0.7743(18) -0.0237(7) 0.1118(15) Uiso 1.000000 GR
H1b H 0.0838(14) 0.7297(11) -0.0175(6) 0.1118(15) Uiso 1.000000 GR
H1c H 0.0937(16) 0.8456(7) -0.0611(2) 0.1118(15) Uiso 1.000000 GR
C16 C 0.4079(3) 0.8977(3) 0.5095(2) 0.0752(10) Uani 1.000000 .
H16 H 0.4588(3) 0.8747(3) 0.5594(2) 0.0903(12) Uiso 1.000000 R
C2 C 0.0139(2) 0.8522(3) 0.1288(3) 0.0889(12) Uani 1.000000 .
H2a H -0.0158(6) 0.7846(9) 0.106(2) 0.1333(18) Uiso 1.000000 GR
H2b H 0.0117(2) 0.864(2) 0.1989(4) 0.1333(18) Uiso 1.000000 GR
H2c H -0.0190(5) 0.9098(15) 0.0883(17) 0.1333(18) Uiso 1.000000 GR
C6 C 0.2865(2) 1.2334(2) 0.0549(2) 0.0721(9) Uani 1.000000 .
H6a H 0.2372(7) 1.2256(16) -0.0050(4) 0.1081(14) Uiso 1.000000 GR
H6b H 0.2976(15) 1.3088(5) 0.0696(7) 0.1081(14) Uiso 1.000000 GR
H6c H 0.3436(9) 1.2005(12) 0.0436(11) 0.1081(14) Uiso 1.000000 GR
C5 C 0.3478(2) 1.2046(3) 0.2668(2) 0.0762(10) Uani 1.000000 .
H5a H 0.3577(11) 1.2813(4) 0.2665(11) 0.1143(15) Uiso 1.000000 GR
H5b H 0.3324(7) 1.1836(17) 0.3301(3) 0.1143(15) Uiso 1.000000 GR
H5c H 0.4046(4) 1.1682(15) 0.2589(10) 0.1143(15) Uiso 1.000000 GR
C4 C 0.1573(2) 1.2576(2) 0.1829(2) 0.0668(9) Uani 1.000000 .
H4a H 0.1797(5) 1.3308(3) 0.1867(16) 0.1002(13) Uiso 1.000000 GR
H4b H 0.1033(6) 1.2508(13) 0.1276(9) 0.1002(13) Uiso 1.000000 GR
H4c H 0.1394(11) 1.2387(11) 0.2455(9) 0.1002(13) Uiso 1.000000 GR
C3 C 0.1832(3) 0.7357(2) 0.1948(2) 0.0746(10) Uani 1.000000 .
H3a H 0.1426(10) 0.6742(6) 0.1766(13) 0.1119(15) Uiso 1.000000 GR
H3b H 0.2455(7) 0.7189(13) 0.1849(14) 0.1119(15) Uiso 1.000000 GR
H3c H 0.1864(16) 0.7534(7) 0.2650(3) 0.1119(15) Uiso 1.000000 GR
C23 C 0.1637(3) 1.0040(2) 0.4887(3) 0.0694(11) Uani 1.000000 .
H23 H 0.1569(3) 1.0044(2) 0.5559(3) 0.0832(13) Uiso 1.000000 R
F3 F 0.45959(15) 0.88357(17) -0.16087(14) 0.0870(6) Uani 1.000000 .
H H 0.1382(19) 1.030(2) 0.0866(19) 0.056(8) Uiso 1.000000 .
H13 H 0.45302(18) 0.8694(2) 0.21297(18) 0.0534(7) Uiso 1.000000 R


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 P2 2.1674(12) . ?
Co1 P1 2.1666(11) . ?
Co1 N1 1.936(2) . ?
Co1 C8 1.953(3) . ?
Co1 C20 1.965(3) . ?
Co1 H 1.33(3) . ?
P2 C6 1.818(3) . ?
P2 C5 1.826(3) . ?
P2 C4 1.813(3) . ?
P1 C1 1.822(3) . ?
P1 C2 1.808(3) . ?
P1 C3 1.811(3) . ?
F1 C9 1.348(3) . ?
F4 C12 1.356(3) . ?
F2 C10 1.354(3) . ?
C7 C13 1.428(3) . ?
C7 C8 1.426(4) . ?
C7 C12 1.390(3) . ?
N1 C13 1.295(3) . ?
N1 C14 1.419(3) . ?
C13 H13 0.9300 . ?
C8 C9 1.383(4) . ?
C9 C10 1.375(4) . ?
C10 C11 1.365(4) . ?
C18 C19 1.418(4) . ?
C18 C17 1.401(5) . ?
C18 C23 1.412(5) . ?
C20 C19 1.436(4) . ?
C20 C21 1.376(4) . ?
C19 C14 1.413(4) . ?
C12 C11 1.360(4) . ?
C11 F3 1.357(3) . ?
C21 H21 0.9300 . ?
C21 C22 1.428(4) . ?
C22 H22 0.9300 . ?
C22 C23 1.347(5) . ?
C15 H15 0.9300 . ?
C15 C14 1.366(4) . ?
C15 C16 1.409(4) . ?
C17 H17 0.9300 . ?
C17 C16 1.355(5) . ?
C1 H1a 0.9600 . ?
C1 H1b 0.9600 . ?
C1 H1c 0.9600 . ?
C16 H16 0.9300 . ?
C2 H2a 0.9600 . ?
C2 H2b 0.9600 . ?
C2 H2c 0.9600 . ?
C6 H6a 0.9600 . ?
C6 H6b 0.9600 . ?
C6 H6c 0.9600 . ?
C5 H5a 0.9600 . ?
C5 H5b 0.9600 . ?
C5 H5c 0.9600 . ?
C4 H4a 0.9600 . ?
C4 H4b 0.9600 . ?
C4 H4c 0.9600 . ?
C3 H3a 0.9600 . ?
C3 H3b 0.9600 . ?
C3 H3c 0.9600 . ?
C23 H23 0.9300 . ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
P1 Co1 P2 159.78(3) . . ?
N1 Co1 P2 100.60(6) . . ?
N1 Co1 P1 99.01(6) . . ?
C8 Co1 P2 95.12(8) . . ?
C8 Co1 P1 92.53(8) . . ?
C8 Co1 N1 81.75(10) . . ?
C20 Co1 P2 88.29(7) . . ?
C20 Co1 P1 89.04(8) . . ?
C20 Co1 N1 83.54(10) . . ?
C20 Co1 C8 165.26(12) . . ?
H Co1 P2 83.8(12) . . ?
H Co1 P1 77.0(12) . . ?
H Co1 N1 174.3(11) . . ?
H Co1 C8 94.3(11) . . ?
H Co1 C20 100.3(11) . . ?
C6 P2 Co1 117.53(11) . . ?
C5 P2 Co1 115.22(11) . . ?
C5 P2 C6 101.46(16) . . ?
C4 P2 Co1 117.13(11) . . ?
C4 P2 C6 101.26(15) . . ?
C4 P2 C5 101.65(15) . . ?
C1 P1 Co1 117.21(11) . . ?
C2 P1 Co1 117.81(12) . . ?
C2 P1 C1 100.83(17) . . ?
C3 P1 Co1 114.55(11) . . ?
C3 P1 C1 101.85(16) . . ?
C3 P1 C2 102.09(18) . . ?
C8 C7 C13 114.1(2) . . ?
C12 C7 C13 124.4(2) . . ?
C12 C7 C8 121.5(2) . . ?
C13 N1 Co1 117.82(16) . . ?
C14 N1 Co1 116.37(17) . . ?
C14 N1 C13 125.8(2) . . ?
N1 C13 C7 114.2(2) . . ?
H13 C13 C7 122.88(14) . . ?
H13 C13 N1 122.88(14) . . ?
C7 C8 Co1 111.93(17) . . ?
C9 C8 Co1 133.7(2) . . ?
C9 C8 C7 114.4(2) . . ?
C8 C9 F1 120.8(3) . . ?
C10 C9 F1 115.6(2) . . ?
C10 C9 C8 123.6(3) . . ?
C9 C10 F2 120.3(3) . . ?
C11 C10 F2 119.1(3) . . ?
C11 C10 C9 120.6(3) . . ?
C17 C18 C19 118.2(3) . . ?
C23 C18 C19 117.7(3) . . ?
C23 C18 C17 124.1(3) . . ?
C19 C20 Co1 110.95(19) . . ?
C21 C20 Co1 133.5(2) . . ?
C21 C20 C19 115.6(2) . . ?
C20 C19 C18 123.2(3) . . ?
C14 C19 C18 118.8(3) . . ?
C14 C19 C20 118.0(2) . . ?
C7 C12 F4 120.0(2) . . ?
C11 C12 F4 119.0(2) . . ?
C11 C12 C7 121.0(3) . . ?
C12 C11 C10 118.9(2) . . ?
F3 C11 C10 119.6(3) . . ?
F3 C11 C12 121.4(3) . . ?
H21 C21 C20 119.17(18) . . ?
C22 C21 C20 121.7(3) . . ?
C22 C21 H21 119.2(2) . . ?
H22 C22 C21 119.1(2) . . ?
C23 C22 C21 121.8(3) . . ?
C23 C22 H22 119.08(19) . . ?
C14 C15 H15 120.92(18) . . ?
C16 C15 H15 120.9(2) . . ?
C16 C15 C14 118.2(3) . . ?
C19 C14 N1 111.1(2) . . ?
C15 C14 N1 127.0(3) . . ?
C15 C14 C19 122.0(2) . . ?
H17 C17 C18 119.27(19) . . ?
C16 C17 C18 121.5(3) . . ?
C16 C17 H17 119.27(18) . . ?
H1a C1 P1 109.5 . . ?
H1b C1 P1 109.5 . . ?
H1b C1 H1a 109.5 . . ?
H1c C1 P1 109.5 . . ?
H1c C1 H1a 109.5 . . ?
H1c C1 H1b 109.5 . . ?
C17 C16 C15 121.4(3) . . ?
H16 C16 C15 119.3(2) . . ?
H16 C16 C17 119.30(18) . . ?
H2a C2 P1 109.5 . . ?
H2b C2 P1 109.5 . . ?
H2b C2 H2a 109.5 . . ?
H2c C2 P1 109.5 . . ?
H2c C2 H2a 109.5 . . ?
H2c C2 H2b 109.5 . . ?
H6a C6 P2 109.5 . . ?
H6b C6 P2 109.5 . . ?
H6b C6 H6a 109.5 . . ?
H6c C6 P2 109.5 . . ?
H6c C6 H6a 109.5 . . ?
H6c C6 H6b 109.5 . . ?
H5a C5 P2 109.5 . . ?
H5b C5 P2 109.5 . . ?
H5b C5 H5a 109.5 . . ?
H5c C5 P2 109.5 . . ?
H5c C5 H5a 109.5 . . ?
H5c C5 H5b 109.5 . . ?
H4a C4 P2 109.5 . . ?
H4b C4 P2 109.5 . . ?
H4b C4 H4a 109.5 . . ?
H4c C4 P2 109.5 . . ?
H4c C4 H4a 109.5 . . ?
H4c C4 H4b 109.5 . . ?
H3a C3 P1 109.5 . . ?
H3b C3 P1 109.5 . . ?
H3b C3 H3a 109.5 . . ?
H3c C3 P1 109.5 . . ?
H3c C3 H3a 109.5 . . ?
H3c C3 H3b 109.5 . . ?
C22 C23 C18 120.0(3) . . ?
H23 C23 C18 120.00(19) . . ?
H23 C23 C22 120.00(19) . . ?

_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_complex4
_database_code_depnum_ccdc_archive 'CCDC 1840081'
_audit_update_record             
;
2018-04-27 deposited with the CCDC.
2018-08-07 downloaded from the CCDC.
;
_audit_creation_date             2018-04-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C23 H28 Co F2 N P2'
_chemical_formula_sum            'C23 H28 Co F2 N P2'
_chemical_formula_weight         477.33
_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'
N N 0.0061 0.0033 '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'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 'x, -y-1/2, z-1/2'

_cell_length_a                   14.015(3)
_cell_length_b                   12.369(3)
_cell_length_c                   13.372(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 101.86(3)
_cell_angle_gamma                90.00
_cell_volume                     2268.6(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    2349
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.066
_cell_measurement_theta_min      2.213
_exptl_absorpt_coefficient_mu    0.923
_exptl_absorpt_correction_T_max  0.9134
_exptl_absorpt_correction_T_min  0.8515
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'metallic dark red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.398
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             992
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.1
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0210
_diffrn_reflns_av_unetI/netI     0.0278
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13111
_diffrn_reflns_theta_full        27.62
_diffrn_reflns_theta_max         27.62
_diffrn_reflns_theta_min         2.22
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'CCD area detactor'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                4404
_reflns_number_total             5164
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         0.324
_refine_diff_density_min         -0.219
_refine_diff_density_rms         0.052
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.613
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     272
_refine_ls_number_reflns         5164
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0361
_refine_ls_R_factor_gt           0.0295
_refine_ls_restrained_S_all      0.613
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0960P)²+3.0544P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0843
_refine_ls_wR_factor_ref         0.0946
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_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.a Aromatic/amide H refined with riding coordinates:
 C9(H9), C8(H8), C11(H11), C4(H4), C16(H16), C14(H14), C2(H2), C3(H3), C10(H10)
2.b Idealised Me refined as rotating group:
 C19(H19A,H19B,H19C), C23(H23A,H23B,H23C), C20(H20A,H20B,H20C), C21(H21A,H21B,
 H21C), C18(H18A,H18B,H18C), C22(H22A,H22B,H22C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
Co1 Co 0.213962(16) 0.500256(16) 0.145508(16) 0.02244(8) Uani 1 d . . .
P2 P 0.25091(3) 0.67005(4) 0.15949(3) 0.02793(11) Uani 1 d . . .
P1 P 0.12992(3) 0.35292(4) 0.11410(3) 0.02715(11) Uani 1 d . . .
F1 F 0.51295(9) 0.34198(11) 0.03049(11) 0.0475(3) Uani 1 d . . .
N1 N 0.33261(10) 0.43798(12) 0.22317(11) 0.0265(3) Uani 1 d . . .
C13 C 0.27876(12) 0.47625(14) 0.03230(13) 0.0261(3) Uani 1 d . . .
C12 C 0.37022(12) 0.42306(14) 0.06527(14) 0.0291(4) Uani 1 d . . .
F2 F 0.28544(12) 0.49575(10) -0.23775(10) 0.0511(4) Uani 1 d . . .
C6 C 0.25398(13) 0.46841(14) 0.35870(13) 0.0289(3) Uani 1 d . . .
C9 C 0.08718(16) 0.53991(17) 0.41617(16) 0.0412(5) Uani 1 d . . .
H9 H 0.0301 0.5637 0.4343 0.049 Uiso 1 calc . . R
C15 C 0.31237(16) 0.46973(16) -0.13676(14) 0.0360(4) Uani 1 d . . .
C8 C 0.09440(14) 0.54248(15) 0.31200(15) 0.0344(4) Uani 1 d . . .
H8 H 0.0419 0.5684 0.2637 0.041 Uiso 1 calc . . R
C19 C 0.00348(14) 0.35789(19) 0.12644(18) 0.0444(5) Uani 1 d . . .
H19A H -0.0310 0.4101 0.0794 0.067 Uiso 1 calc . . GR
H19B H 0.0003 0.3782 0.1950 0.067 Uiso 1 calc . . GR
H19C H -0.0257 0.2880 0.1115 0.067 Uiso 1 calc . . GR
C11 C 0.39709(12) 0.40407(14) 0.17276(14) 0.0300(4) Uani 1 d . . .
H11 H 0.4551 0.3707 0.2038 0.036 Uiso 1 calc . . R
C4 C 0.33095(17) 0.42880(17) 0.53522(15) 0.0431(5) Uani 1 d . . .
H4 H 0.3291 0.4280 0.6043 0.052 Uiso 1 calc . . R
C7 C 0.17737(14) 0.50758(13) 0.27963(14) 0.0278(4) Uani 1 d . . .
C5 C 0.24908(15) 0.46666(15) 0.46367(14) 0.0347(4) Uani 1 d . . .
C1 C 0.34010(13) 0.43048(14) 0.32997(13) 0.0294(4) Uani 1 d . . .
C23 C 0.28169(18) 0.73797(17) 0.04984(18) 0.0466(5) Uani 1 d . . .
H23A H 0.2279 0.7324 -0.0074 0.070 Uiso 1 calc . . GR
H23B H 0.3382 0.7046 0.0331 0.070 Uiso 1 calc . . GR
H23C H 0.2952 0.8128 0.0659 0.070 Uiso 1 calc . . GR
C16 C 0.39983(15) 0.41565(16) -0.10666(16) 0.0396(4) Uani 1 d . . .
H16 H 0.4379 0.3957 -0.1530 0.048 Uiso 1 calc . . R
C17 C 0.42692(13) 0.39335(15) -0.00486(15) 0.0339(4) Uani 1 d . . .
C14 C 0.25199(15) 0.49908(14) -0.07255(15) 0.0316(4) Uani 1 d . . .
H14 H 0.1934 0.5341 -0.0985 0.038 Uiso 1 calc . . R
C2 C 0.41801(15) 0.39313(17) 0.40102(15) 0.0383(4) Uani 1 d . . .
H2 H 0.4737 0.3679 0.3809 0.046 Uiso 1 calc . . R
C3 C 0.41227(17) 0.39355(18) 0.50471(15) 0.0460(5) Uani 1 d . . .
H3 H 0.4651 0.3692 0.5534 0.055 Uiso 1 calc . . R
C20 C 0.11693(17) 0.29396(18) -0.01275(16) 0.0447(5) Uani 1 d . . .
H20A H 0.1802 0.2770 -0.0255 0.067 Uiso 1 calc . . GR
H20B H 0.0850 0.3447 -0.0630 0.067 Uiso 1 calc . . GR
H20C H 0.0787 0.2291 -0.0167 0.067 Uiso 1 calc . . GR
C21 C 0.35581(18) 0.7029(2) 0.2596(2) 0.0567(6) Uani 1 d . . .
H21A H 0.3649 0.7798 0.2627 0.085 Uiso 1 calc . . GR
H21B H 0.4130 0.6690 0.2448 0.085 Uiso 1 calc . . GR
H21C H 0.3450 0.6771 0.3240 0.085 Uiso 1 calc . . GR
C18 C 0.17678(18) 0.23947(17) 0.19642(18) 0.0471(5) Uani 1 d . . .
H18A H 0.1351 0.1779 0.1783 0.071 Uiso 1 calc . . GR
H18B H 0.1785 0.2586 0.2664 0.071 Uiso 1 calc . . GR
H18C H 0.2414 0.2221 0.1880 0.071 Uiso 1 calc . . GR
C10 C 0.16184(18) 0.50350(15) 0.49045(16) 0.0401(5) Uani 1 d . . .
H10 H 0.1556 0.5028 0.5584 0.048 Uiso 1 calc . . R
C22 C 0.15950(17) 0.76125(16) 0.19026(19) 0.0456(5) Uani 1 d . . .
H22A H 0.1836 0.8341 0.1932 0.068 Uiso 1 calc . . GR
H22B H 0.1456 0.7418 0.2553 0.068 Uiso 1 calc . . GR
H22C H 0.1010 0.7561 0.1385 0.068 Uiso 1 calc . . GR
H H 0.1286(17) 0.543(2) 0.0844(18) 0.049(6) Uiso 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Co1 P2 2.1619(6) . ?
Co1 P1 2.1637(6) . ?
Co1 N1 1.9306(15) . ?
Co1 C13 1.9416(17) . ?
Co1 C7 1.9661(18) . ?
Co1 H 1.41(2) . ?
P2 C23 1.817(2) . ?
P2 C21 1.819(2) . ?
P2 C22 1.817(2) . ?
P1 C19 1.814(2) . ?
P1 C20 1.821(2) . ?
P1 C18 1.821(2) . ?
F1 C17 1.359(2) . ?
N1 C11 1.303(2) . ?
N1 C1 1.413(2) . ?
C13 C12 1.427(2) . ?
C13 C14 1.404(3) . ?
C12 C11 1.429(3) . ?
C12 C17 1.397(2) . ?
F2 C15 1.364(2) . ?
C6 C7 1.428(3) . ?
C6 C5 1.420(2) . ?
C6 C1 1.420(3) . ?
C9 H9 0.9300 . ?
C9 C8 1.418(3) . ?
C9 C10 1.363(3) . ?
C15 C16 1.382(3) . ?
C15 C14 1.372(3) . ?
C8 H8 0.9300 . ?
C8 C7 1.390(3) . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C11 H11 0.9300 . ?
C4 H4 0.9300 . ?
C4 C5 1.414(3) . ?
C4 C3 1.359(3) . ?
C5 C10 1.418(3) . ?
C1 C2 1.372(3) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C16 H16 0.9300 . ?
C16 C17 1.364(3) . ?
C14 H14 0.9300 . ?
C2 H2 0.9300 . ?
C2 C3 1.405(3) . ?
C3 H3 0.9300 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C10 H10 0.9300 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?

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 P1 161.11(2) . . ?
P2 Co1 H 81.0(11) . . ?
P1 Co1 H 80.9(11) . . ?
N1 Co1 P2 100.17(5) . . ?
N1 Co1 P1 98.21(5) . . ?
N1 Co1 C13 82.48(7) . . ?
N1 Co1 C7 83.40(7) . . ?
N1 Co1 H 177.1(10) . . ?
C13 Co1 P2 94.24(5) . . ?
C13 Co1 P1 92.47(5) . . ?
C13 Co1 C7 165.87(8) . . ?
C13 Co1 H 94.8(10) . . ?
C7 Co1 P2 88.80(5) . . ?
C7 Co1 P1 88.98(5) . . ?
C7 Co1 H 99.3(10) . . ?
C23 P2 Co1 118.14(8) . . ?
C23 P2 C21 101.57(13) . . ?
C21 P2 Co1 115.06(8) . . ?
C22 P2 Co1 117.09(7) . . ?
C22 P2 C23 101.01(10) . . ?
C22 P2 C21 101.28(12) . . ?
C19 P1 Co1 117.18(8) . . ?
C20 P1 Co1 117.67(7) . . ?
C20 P1 C19 100.71(11) . . ?
C20 P1 C18 102.07(11) . . ?
C18 P1 Co1 114.67(8) . . ?
C18 P1 C19 102.05(11) . . ?
C11 N1 Co1 117.55(12) . . ?
C11 N1 C1 125.90(15) . . ?
C1 N1 Co1 116.52(11) . . ?
C12 C13 Co1 111.34(12) . . ?
C14 C13 Co1 132.55(14) . . ?
C14 C13 C12 116.09(16) . . ?
C11 C12 C13 114.88(15) . . ?
C17 C12 C13 120.83(17) . . ?
C17 C12 C11 124.29(17) . . ?
C5 C6 C7 123.75(17) . . ?
C1 C6 C7 117.61(15) . . ?
C1 C6 C5 118.64(17) . . ?
C8 C9 H9 119.2 . . ?
C10 C9 H9 119.2 . . ?
C10 C9 C8 121.63(19) . . ?
F2 C15 C16 116.81(17) . . ?
F2 C15 C14 118.4(2) . . ?
C16 C15 C14 124.74(18) . . ?
C9 C8 H8 118.9 . . ?
C7 C8 C9 122.15(19) . . ?
C7 C8 H8 118.9 . . ?
P1 C19 H19A 109.5 . . ?
P1 C19 H19B 109.5 . . ?
P1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
N1 C11 C12 113.59(15) . . ?
N1 C11 H11 123.2 . . ?
C12 C11 H11 123.2 . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C3 C4 C5 121.14(18) . . ?
C6 C7 Co1 111.25(13) . . ?
C8 C7 Co1 133.63(15) . . ?
C8 C7 C6 115.12(17) . . ?
C6 C5 C4 118.46(19) . . ?
C10 C5 C6 117.67(19) . . ?
C10 C5 C4 123.88(18) . . ?
N1 C1 C6 111.17(15) . . ?
C2 C1 N1 127.24(17) . . ?
C2 C1 C6 121.59(17) . . ?
P2 C23 H23A 109.5 . . ?
P2 C23 H23B 109.5 . . ?
P2 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C15 C16 H16 122.0 . . ?
C17 C16 C15 115.91(16) . . ?
C17 C16 H16 122.0 . . ?
F1 C17 C12 118.43(17) . . ?
F1 C17 C16 119.12(16) . . ?
C16 C17 C12 122.44(18) . . ?
C13 C14 H14 120.0 . . ?
C15 C14 C13 119.94(18) . . ?
C15 C14 H14 120.0 . . ?
C1 C2 H2 120.6 . . ?
C1 C2 C3 118.90(19) . . ?
C3 C2 H2 120.6 . . ?
C4 C3 C2 121.27(19) . . ?
C4 C3 H3 119.4 . . ?
C2 C3 H3 119.4 . . ?
P1 C20 H20A 109.5 . . ?
P1 C20 H20B 109.5 . . ?
P1 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
P2 C21 H21A 109.5 . . ?
P2 C21 H21B 109.5 . . ?
P2 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
P1 C18 H18A 109.5 . . ?
P1 C18 H18B 109.5 . . ?
P1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C9 C10 C5 119.66(18) . . ?
C9 C10 H10 120.2 . . ?
C5 C10 H10 120.2 . . ?
P2 C22 H22A 109.5 . . ?
P2 C22 H22B 109.5 . . ?
P2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?

_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_complex11
_database_code_depnum_ccdc_archive 'CCDC 1840082'
_audit_update_record             
;
2018-04-27 deposited with the CCDC.
2018-08-07 downloaded from the CCDC.
;
_audit_creation_date             2018-04-27
_audit_creation_method           
;
Olex2 1.2
(compiled 2018.04.26 svn.r3504 for OlexSys, GUI svn.r5492)
;
_chemical_name_common            ?
_chemical_name_systematic        
;
 ? 
;
_chemical_formula_moiety         'C23 H27 Co F2 I N P2'
_chemical_formula_sum            'C23 H27 Co F2 I N P2'
_chemical_formula_weight         603.23
_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'
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'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      orthorhombic
_space_group_IT_number           61
_space_group_name_H-M_alt        'P b c a'
_space_group_name_Hall           '-P 2ac 2ab'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, -y, z+1/2'
3 'x+1/2, -y+1/2, -z'
4 '-x, y+1/2, -z+1/2'
5 '-x, -y, -z'
6 'x-1/2, y, -z-1/2'
7 '-x-1/2, y-1/2, z'
8 'x, -y-1/2, z-1/2'

_cell_length_a                   16.600(2)
_cell_length_b                   15.531(2)
_cell_length_c                   19.029(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_volume                     4906.0(12)
_cell_formula_units_Z            8
_cell_measurement_reflns_used    3473
_cell_measurement_temperature    298
_cell_measurement_theta_max      21.546
_cell_measurement_theta_min      2.467
_exptl_absorpt_coefficient_mu    2.114
_exptl_absorpt_correction_T_max  0.7855
_exptl_absorpt_correction_T_min  0.7022
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   ?
_exptl_crystal_colour            'metallic dark red'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.633
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2400
_exptl_crystal_preparation       ?
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_exptl_special_details           
;
 ? 
;
_diffrn_reflns_av_R_equivalents  0.0940
_diffrn_reflns_av_unetI/netI     0.0897
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            27459
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         2.09
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'CCD area detactor'
_diffrn_measurement_method       ?
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'fine-focus sealed tube'
_diffrn_standards_decay_%        ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_number         ?
_reflns_number_gt                3288
_reflns_number_total             5567
_reflns_threshold_expression     >2sigma(I)
_computing_cell_refinement       'SAINT v7.23A (Bruker, 2003)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT v7.23A (Bruker, 2003)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_refine_diff_density_max         1.486
_refine_diff_density_min         -0.856
_refine_diff_density_rms         0.090
_refine_ls_extinction_coef       ?
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     277
_refine_ls_number_reflns         5567
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0961
_refine_ls_R_factor_gt           0.0497
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0337P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1171
_refine_ls_wR_factor_ref         0.1345
_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;
_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.a Aromatic/amide H refined with riding coordinates:
 C7(H7), C15(H15), C5(H5), C9(H9), C14(H14), C10(H10), C3(H3), C11(H11),
 C16(H16)
2.b Idealised Me refined as rotating group:
 C23(H23A,H23B,H23C), C20(H20A,H20B,H20C), C22(H22A,H22B,H22C), C19(H19A,H19B,
 H19C), C18(H18A,H18B,H18C), C21(H21A,H21B,H21C)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     iterative
_atom_sites_solution_secondary   difmap
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_calc_flag
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_refinement_flags_posn
I1 I 0.51889(2) 0.32333(3) 0.82728(2) 0.07389(18) Uani 1 d . . .
Co1 Co 0.36348(4) 0.34642(4) 0.81936(3) 0.03851(18) Uani 1 d . . .
P1 P 0.35741(9) 0.22780(9) 0.75438(8) 0.0510(4) Uani 1 d . . .
P2 P 0.37719(9) 0.46139(10) 0.88806(8) 0.0578(4) Uani 1 d . . .
F1 F 0.1913(2) 0.5027(2) 0.63516(18) 0.0760(10) Uani 1 d . . .
F2 F 0.4672(3) 0.5313(3) 0.5937(2) 0.0959(12) Uani 1 d . . .
N1 N 0.2509(2) 0.3643(2) 0.8132(2) 0.0400(9) Uani 1 d . . .
C7 C 0.2236(3) 0.4063(3) 0.7608(3) 0.0479(12) Uani 1 d . . .
H7 H 0.1688 0.4159 0.7541 0.057 Uiso 1 calc . . R
C6 C 0.3639(3) 0.4185(3) 0.7350(3) 0.0445(11) Uani 1 d . . .
C17 C 0.3344(3) 0.2764(3) 0.9023(3) 0.0460(12) Uani 1 d . . .
C1 C 0.2834(3) 0.4376(3) 0.7133(2) 0.0435(12) Uani 1 d . . .
C15 C 0.3402(5) 0.1853(4) 1.0057(3) 0.0733(19) Uani 1 d . . .
H15 H 0.3708 0.1507 1.0353 0.088 Uiso 1 calc . . R
C8 C 0.2045(3) 0.3309(3) 0.8698(3) 0.0489(12) Uani 1 d . . .
C13 C 0.2519(3) 0.2826(3) 0.9166(3) 0.0468(12) Uani 1 d . . .
C5 C 0.4256(3) 0.4517(3) 0.6923(3) 0.0538(14) Uani 1 d . . .
H5 H 0.4792 0.4409 0.7035 0.065 Uiso 1 calc . . R
C2 C 0.2692(4) 0.4865(3) 0.6532(3) 0.0535(14) Uani 1 d . . .
C12 C 0.2141(4) 0.2446(4) 0.9770(3) 0.0567(14) Uani 1 d . . .
C23 C 0.4060(4) 0.4409(5) 0.9779(3) 0.091(2) Uani 1 d . . .
H23A H 0.4205 0.4942 1.0002 0.137 Uiso 1 calc . . GR
H23B H 0.4512 0.4024 0.9788 0.137 Uiso 1 calc . . GR
H23C H 0.3616 0.4153 1.0026 0.137 Uiso 1 calc . . GR
C9 C 0.1227(3) 0.3418(4) 0.8801(4) 0.0758(18) Uani 1 d . . .
H9 H 0.0922 0.3730 0.8479 0.091 Uiso 1 calc . . R
C20 C 0.3943(4) 0.1282(4) 0.7927(3) 0.0748(18) Uani 1 d . . .
H20A H 0.3841 0.0814 0.7610 0.112 Uiso 1 calc . . GR
H20B H 0.3671 0.1178 0.8364 0.112 Uiso 1 calc . . GR
H20C H 0.4512 0.1329 0.8010 0.112 Uiso 1 calc . . GR
C14 C 0.2629(4) 0.1956(4) 1.0204(3) 0.0673(17) Uani 1 d . . .
H14 H 0.2411 0.1697 1.0602 0.081 Uiso 1 calc . . R
C10 C 0.0865(4) 0.3055(5) 0.9393(4) 0.091(2) Uani 1 d . . .
H10 H 0.0317 0.3133 0.9472 0.109 Uiso 1 calc . . R
C22 C 0.4486(5) 0.5437(5) 0.8603(4) 0.102(3) Uani 1 d . . .
H22A H 0.4273 0.5741 0.8205 0.153 Uiso 1 calc . . GR
H22B H 0.4987 0.5170 0.8476 0.153 Uiso 1 calc . . GR
H22C H 0.4575 0.5834 0.8981 0.153 Uiso 1 calc . . GR
C3 C 0.3295(4) 0.5184(3) 0.6124(3) 0.0619(16) Uani 1 d . . .
H3 H 0.3188 0.5507 0.5723 0.074 Uiso 1 calc . . R
C4 C 0.4069(4) 0.5004(4) 0.6334(3) 0.0626(15) Uani 1 d . . .
C11 C 0.1322(4) 0.2577(4) 0.9867(3) 0.0783(19) Uani 1 d . . .
H11 H 0.1071 0.2338 1.0258 0.094 Uiso 1 calc . . R
C16 C 0.3787(4) 0.2239(4) 0.9477(3) 0.0646(16) Uani 1 d . . .
H16 H 0.4332 0.2145 0.9397 0.078 Uiso 1 calc . . R
C19 C 0.4108(5) 0.2298(4) 0.6716(3) 0.080(2) Uani 1 d . . .
H19A H 0.4068 0.1744 0.6494 0.120 Uiso 1 calc . . GR
H19B H 0.4665 0.2431 0.6798 0.120 Uiso 1 calc . . GR
H19C H 0.3876 0.2728 0.6415 0.120 Uiso 1 calc . . GR
C18 C 0.2559(4) 0.2002(4) 0.7280(4) 0.087(2) Uani 1 d . . .
H18A H 0.2345 0.2450 0.6987 0.131 Uiso 1 calc . . GR
H18B H 0.2227 0.1939 0.7690 0.131 Uiso 1 calc . . GR
H18C H 0.2566 0.1470 0.7024 0.131 Uiso 1 calc . . GR
C21 C 0.2864(4) 0.5220(4) 0.8988(4) 0.099(2) Uani 1 d . . .
H21A H 0.2456 0.4860 0.9191 0.149 Uiso 1 calc . . GR
H21B H 0.2684 0.5424 0.8538 0.149 Uiso 1 calc . . GR
H21C H 0.2963 0.5702 0.9292 0.149 Uiso 1 calc . . GR


_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
I1 Co1 2.6090(8) . ?
Co1 P1 2.2210(15) . ?
Co1 P2 2.2246(16) . ?
Co1 N1 1.894(4) . ?
Co1 C6 1.957(5) . ?
Co1 C17 1.976(5) . ?
P1 C20 1.816(6) . ?
P1 C19 1.808(6) . ?
P1 C18 1.810(6) . ?
P2 C23 1.804(6) . ?
P2 C22 1.822(6) . ?
P2 C21 1.789(7) . ?
F1 C2 1.362(6) . ?
F2 C4 1.343(7) . ?
N1 C7 1.274(6) . ?
N1 C8 1.422(6) . ?
C7 H7 0.9300 . ?
C7 C1 1.428(7) . ?
C6 C1 1.431(7) . ?
C6 C5 1.405(7) . ?
C17 C13 1.400(7) . ?
C17 C16 1.397(7) . ?
C1 C2 1.392(7) . ?
C15 H15 0.9300 . ?
C15 C14 1.322(9) . ?
C15 C16 1.410(8) . ?
C8 C13 1.406(7) . ?
C8 C9 1.382(7) . ?
C13 C12 1.436(7) . ?
C5 H5 0.9300 . ?
C5 C4 1.387(8) . ?
C2 C3 1.360(8) . ?
C12 C14 1.385(8) . ?
C12 C11 1.387(8) . ?
C23 H23A 0.9600 . ?
C23 H23B 0.9600 . ?
C23 H23C 0.9600 . ?
C9 H9 0.9300 . ?
C9 C10 1.397(9) . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C14 H14 0.9300 . ?
C10 H10 0.9300 . ?
C10 C11 1.392(10) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C3 H3 0.9300 . ?
C3 C4 1.374(9) . ?
C11 H11 0.9300 . ?
C16 H16 0.9300 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C21 H21A 0.9600 . ?
C21 H21B 0.9600 . ?
C21 H21C 0.9600 . ?

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 I1 87.88(4) . . ?
P1 Co1 P2 175.98(6) . . ?
P2 Co1 I1 88.58(5) . . ?
N1 Co1 I1 179.41(13) . . ?
N1 Co1 P1 92.43(12) . . ?
N1 Co1 P2 91.13(12) . . ?
N1 Co1 C6 82.47(19) . . ?
N1 Co1 C17 83.65(19) . . ?
C6 Co1 I1 97.03(15) . . ?
C6 Co1 P1 91.02(15) . . ?
C6 Co1 P2 91.30(15) . . ?
C6 Co1 C17 166.1(2) . . ?
C17 Co1 I1 96.86(14) . . ?
C17 Co1 P1 88.68(15) . . ?
C17 Co1 P2 89.86(15) . . ?
C20 P1 Co1 117.9(2) . . ?
C19 P1 Co1 116.7(2) . . ?
C19 P1 C20 101.5(3) . . ?
C19 P1 C18 102.7(4) . . ?
C18 P1 Co1 113.2(2) . . ?
C18 P1 C20 102.9(3) . . ?
C23 P2 Co1 116.3(2) . . ?
C23 P2 C22 103.1(3) . . ?
C22 P2 Co1 117.3(3) . . ?
C21 P2 Co1 113.8(2) . . ?
C21 P2 C23 102.0(4) . . ?
C21 P2 C22 102.2(4) . . ?
C7 N1 Co1 118.3(3) . . ?
C7 N1 C8 125.9(4) . . ?
C8 N1 Co1 115.7(3) . . ?
N1 C7 H7 122.5 . . ?
N1 C7 C1 115.0(5) . . ?
C1 C7 H7 122.5 . . ?
C1 C6 Co1 110.6(3) . . ?
C5 C6 Co1 133.4(4) . . ?
C5 C6 C1 116.0(4) . . ?
C13 C17 Co1 110.9(4) . . ?
C16 C17 Co1 133.4(4) . . ?
C16 C17 C13 115.7(5) . . ?
C7 C1 C6 113.3(4) . . ?
C2 C1 C7 126.0(5) . . ?
C2 C1 C6 120.6(5) . . ?
C14 C15 H15 118.2 . . ?
C14 C15 C16 123.7(6) . . ?
C16 C15 H15 118.2 . . ?
C13 C8 N1 111.8(4) . . ?
C9 C8 N1 126.5(5) . . ?
C9 C8 C13 121.7(5) . . ?
C17 C13 C8 117.4(5) . . ?
C17 C13 C12 123.8(5) . . ?
C8 C13 C12 118.8(5) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 C6 120.2(5) . . ?
C4 C5 H5 119.9 . . ?
F1 C2 C1 118.0(5) . . ?
C3 C2 F1 119.1(5) . . ?
C3 C2 C1 122.9(5) . . ?
C14 C12 C13 116.5(5) . . ?
C14 C12 C11 125.1(6) . . ?
C11 C12 C13 118.3(6) . . ?
P2 C23 H23A 109.5 . . ?
P2 C23 H23B 109.5 . . ?
P2 C23 H23C 109.5 . . ?
H23A C23 H23B 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C8 C9 H9 120.4 . . ?
C8 C9 C10 119.2(6) . . ?
C10 C9 H9 120.4 . . ?
P1 C20 H20A 109.5 . . ?
P1 C20 H20B 109.5 . . ?
P1 C20 H20C 109.5 . . ?
H20A C20 H20B 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C15 C14 C12 120.5(6) . . ?
C15 C14 H14 119.7 . . ?
C12 C14 H14 119.7 . . ?
C9 C10 H10 119.9 . . ?
C11 C10 C9 120.2(6) . . ?
C11 C10 H10 119.9 . . ?
P2 C22 H22A 109.5 . . ?
P2 C22 H22B 109.5 . . ?
P2 C22 H22C 109.5 . . ?
H22A C22 H22B 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C2 C3 H3 121.7 . . ?
C2 C3 C4 116.6(5) . . ?
C4 C3 H3 121.7 . . ?
F2 C4 C5 118.8(6) . . ?
F2 C4 C3 117.4(5) . . ?
C3 C4 C5 123.7(5) . . ?
C12 C11 C10 121.8(6) . . ?
C12 C11 H11 119.1 . . ?
C10 C11 H11 119.1 . . ?
C17 C16 C15 119.6(6) . . ?
C17 C16 H16 120.2 . . ?
C15 C16 H16 120.2 . . ?
P1 C19 H19A 109.5 . . ?
P1 C19 H19B 109.5 . . ?
P1 C19 H19C 109.5 . . ?
H19A C19 H19B 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
P1 C18 H18A 109.5 . . ?
P1 C18 H18B 109.5 . . ?
P1 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
P2 C21 H21A 109.5 . . ?
P2 C21 H21B 109.5 . . ?
P2 C21 H21C 109.5 . . ?
H21A C21 H21B 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
I1 Co1 P1 C20 58.9(3) . . . . ?
I1 Co1 P1 C19 -62.3(3) . . . . ?
I1 Co1 P1 C18 178.9(3) . . . . ?
I1 Co1 P2 C23 -68.4(3) . . . . ?
I1 Co1 P2 C22 54.3(3) . . . . ?
I1 Co1 P2 C21 173.5(3) . . . . ?
I1 Co1 N1 C7 35(13) . . . . ?
I1 Co1 N1 C8 -144(13) . . . . ?
I1 Co1 C6 C1 175.7(3) . . . . ?
I1 Co1 C6 C5 -2.2(5) . . . . ?
I1 Co1 C17 C13 174.3(3) . . . . ?
I1 Co1 C17 C16 -5.6(6) . . . . ?
Co1 N1 C7 C1 -1.8(6) . . . . ?
Co1 N1 C8 C13 -6.1(5) . . . . ?
Co1 N1 C8 C9 174.3(5) . . . . ?
Co1 C6 C1 C7 5.0(5) . . . . ?
Co1 C6 C1 C2 -178.5(4) . . . . ?
Co1 C6 C5 C4 178.4(4) . . . . ?
Co1 C17 C13 C8 3.6(6) . . . . ?
Co1 C17 C13 C12 -174.7(4) . . . . ?
Co1 C17 C16 C15 176.5(4) . . . . ?
P1 Co1 P2 C23 -40.1(10) . . . . ?
P1 Co1 P2 C22 82.5(10) . . . . ?
P1 Co1 P2 C21 -158.2(9) . . . . ?
P1 Co1 N1 C7 -86.9(4) . . . . ?
P1 Co1 N1 C8 94.8(3) . . . . ?
P1 Co1 C6 C1 87.7(3) . . . . ?
P1 Co1 C6 C5 -90.2(5) . . . . ?
P1 Co1 C17 C13 -98.0(3) . . . . ?
P1 Co1 C17 C16 82.1(5) . . . . ?
P2 Co1 P1 C20 30.6(10) . . . . ?
P2 Co1 P1 C19 -90.5(10) . . . . ?
P2 Co1 P1 C18 150.7(9) . . . . ?
P2 Co1 N1 C7 94.9(4) . . . . ?
P2 Co1 N1 C8 -83.3(3) . . . . ?
P2 Co1 C6 C1 -95.6(3) . . . . ?
P2 Co1 C6 C5 86.5(5) . . . . ?
P2 Co1 C17 C13 85.8(3) . . . . ?
P2 Co1 C17 C16 -94.2(5) . . . . ?
F1 C2 C3 C4 179.7(5) . . . . ?
N1 Co1 P1 C20 -121.6(3) . . . . ?
N1 Co1 P1 C19 117.2(3) . . . . ?
N1 Co1 P1 C18 -1.6(3) . . . . ?
N1 Co1 P2 C23 112.1(3) . . . . ?
N1 Co1 P2 C22 -125.2(3) . . . . ?
N1 Co1 P2 C21 -6.0(3) . . . . ?
N1 Co1 C6 C1 -4.6(3) . . . . ?
N1 Co1 C6 C5 177.4(5) . . . . ?
N1 Co1 C17 C13 -5.4(3) . . . . ?
N1 Co1 C17 C16 174.7(6) . . . . ?
N1 C7 C1 C6 -2.2(6) . . . . ?
N1 C7 C1 C2 -178.6(5) . . . . ?
N1 C8 C13 C17 1.4(6) . . . . ?
N1 C8 C13 C12 179.7(4) . . . . ?
N1 C8 C9 C10 -179.1(6) . . . . ?
C7 N1 C8 C13 175.9(5) . . . . ?
C7 N1 C8 C9 -3.7(8) . . . . ?
C7 C1 C2 F1 -3.9(7) . . . . ?
C7 C1 C2 C3 176.1(5) . . . . ?
C6 Co1 P1 C20 155.9(3) . . . . ?
C6 Co1 P1 C19 34.7(3) . . . . ?
C6 Co1 P1 C18 -84.1(3) . . . . ?
C6 Co1 P2 C23 -165.4(3) . . . . ?
C6 Co1 P2 C22 -42.8(4) . . . . ?
C6 Co1 P2 C21 76.5(3) . . . . ?
C6 Co1 N1 C7 3.8(4) . . . . ?
C6 Co1 N1 C8 -174.5(4) . . . . ?
C6 Co1 C17 C13 -9.1(11) . . . . ?
C6 Co1 C17 C16 171.0(7) . . . . ?
C6 C1 C2 F1 -179.9(4) . . . . ?
C6 C1 C2 C3 0.1(8) . . . . ?
C6 C5 C4 F2 179.9(5) . . . . ?
C6 C5 C4 C3 -0.9(9) . . . . ?
C17 Co1 P1 C20 -38.0(3) . . . . ?
C17 Co1 P1 C19 -159.2(3) . . . . ?
C17 Co1 P1 C18 82.0(3) . . . . ?
C17 Co1 P2 C23 28.5(3) . . . . ?
C17 Co1 P2 C22 151.1(4) . . . . ?
C17 Co1 P2 C21 -89.6(3) . . . . ?
C17 Co1 N1 C7 -175.3(4) . . . . ?
C17 Co1 N1 C8 6.4(3) . . . . ?
C17 Co1 C6 C1 -0.9(11) . . . . ?
C17 Co1 C6 C5 -178.9(7) . . . . ?
C17 C13 C12 C14 -3.6(8) . . . . ?
C17 C13 C12 C11 177.9(5) . . . . ?
C1 C6 C5 C4 0.6(7) . . . . ?
C1 C2 C3 C4 -0.3(8) . . . . ?
C8 N1 C7 C1 176.2(4) . . . . ?
C8 C13 C12 C14 178.2(5) . . . . ?
C8 C13 C12 C11 -0.3(7) . . . . ?
C8 C9 C10 C11 -1.1(11) . . . . ?
C13 C17 C16 C15 -3.5(8) . . . . ?
C13 C8 C9 C10 1.4(9) . . . . ?
C13 C12 C14 C15 0.0(8) . . . . ?
C13 C12 C11 C10 0.6(9) . . . . ?
C5 C6 C1 C7 -176.7(4) . . . . ?
C5 C6 C1 C2 -0.2(7) . . . . ?
C2 C3 C4 F2 180.0(5) . . . . ?
C2 C3 C4 C5 0.8(9) . . . . ?
C9 C8 C13 C17 -179.0(5) . . . . ?
C9 C8 C13 C12 -0.7(8) . . . . ?
C9 C10 C11 C12 0.1(11) . . . . ?
C14 C15 C16 C17 0.1(10) . . . . ?
C14 C12 C11 C10 -177.8(6) . . . . ?
C11 C12 C14 C15 178.4(6) . . . . ?
C16 C17 C13 C8 -176.5(5) . . . . ?
C16 C17 C13 C12 5.3(7) . . . . ?
C16 C15 C14 C12 1.7(10) . . . . ?

_olex2_submission_special_instructions 'No special instructions were received'
