# Electronic Supplementary Material (ESI) for Polymer Chemistry.
# This journal is © The Royal Society of Chemistry 2020

####################################################################### 
# 
# 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_lwx-1-1
_database_code_depnum_ccdc_archive 'CCDC 1590255'
loop_
_audit_author_name
_audit_author_address
no no
_audit_update_record             
;
2017-12-10 deposited with the CCDC.	2020-02-03 downloaded from the CCDC.
;
_audit_creation_date             2017-11-08
_audit_creation_method           
;
Olex2 1.2-beta
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C17 H30 Cl2 Co N3 O3 P'
_chemical_formula_sum            'C17 H30 Cl2 Co N3 O3 P'
_chemical_formula_weight         485.24
_chemical_melting_point          ?
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co -2.3653 3.6143 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 '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      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_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   16.5582(3)
_cell_length_b                   8.70090(10)
_cell_length_c                   16.7290(3)
_cell_angle_alpha                90
_cell_angle_beta                 111.858(2)
_cell_angle_gamma                90
_cell_volume                     2236.90(7)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    5722
_cell_measurement_temperature    296
_cell_measurement_theta_max      73.7900
_cell_measurement_theta_min      5.7070
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    9.073
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.12401
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.39.28b (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.441
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1012
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0328
_diffrn_reflns_av_unetI/netI     0.0372
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.966
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            11707
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.966
_diffrn_reflns_theta_full        67.684
_diffrn_reflns_theta_max         74.093
_diffrn_reflns_theta_min         2.875
_diffrn_ambient_temperature      296.0
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     42.00  88.00   0.50    0.50    --    0.00  38.00-180.00   92
  2  ω    -60.00 -35.00   0.50    0.50    --    0.00 -38.00 -90.00   50
  3  ω    -15.00  29.00   0.50    0.50    --    0.00  38.00  60.00   88
  4  ω    -86.00  22.00   0.50    0.50    --    0.00 -57.00-180.00  216
  5  ω     59.00  84.00   0.50    0.50    --    0.00  38.00  60.00   50
  6  ω     44.00 119.00   0.50    1.98    --   95.20 -61.00-150.00  150
  7  ω     64.00 109.00   0.50    1.98    --   95.20 -30.00-120.00   90
  8  ω     79.00 154.00   0.50    1.98    --   95.20  30.00-150.00  150
  9  ω     52.00 118.00   0.50    1.98    --   95.20 -82.00-150.00  132
 10  ω     72.00 161.00   0.50    1.98    --   95.20  15.00 -30.00  178
 11  ω      9.00 111.00   0.50    1.98    --   95.20 -61.00  60.00  204
 12  ω    147.00 175.00   0.50    1.98    --   95.20  15.00  30.00   56
 13  ω     80.00 106.00   0.50    1.98    --   95.20  15.00  30.00   52
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC12 (RINC): Kappa dual home/near'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type       
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0552609000
_diffrn_orient_matrix_UB_12      -0.0705689000
_diffrn_orient_matrix_UB_13      -0.0879342000
_diffrn_orient_matrix_UB_21      0.0681814000
_diffrn_orient_matrix_UB_22      0.0523403000
_diffrn_orient_matrix_UB_23      -0.0366520000
_diffrn_orient_matrix_UB_31      0.0485280000
_diffrn_orient_matrix_UB_32      -0.1536160000
_diffrn_orient_matrix_UB_33      0.0278930000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Cu) X-ray Source'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3744
_reflns_number_total             4399
_reflns_odcompleteness_completeness 99.88
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     66.97
_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       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.39.28b (Rigaku OD, 2015)'
_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         0.302
_refine_diff_density_min         -0.328
_refine_diff_density_rms         0.053
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     254
_refine_ls_number_reflns         4399
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0438
_refine_ls_R_factor_gt           0.0354
_refine_ls_restrained_S_all      1.061
_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)+(0.0446P)²+0.3559P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0853
_refine_ls_wR_factor_ref         0.0881
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H) groups
2. Restrained distances
 O1-H1
 0.85 with sigma of 0.01
 C17-H1
 1.901768 with sigma of 0.02
 Co1-H1
 2.759685 with sigma of 0.02
3.a Secondary CH2 refined with riding coordinates:
 C1(H1A,H1B), C2(H2A,H2B)
3.b Aromatic/amide H refined with riding coordinates:
 N3(H3), C5(H5), C6(H6), C7(H7)
3.c Idealised Me refined as rotating group:
 C13(H13A,H13B,H13C), C17(H17A,H17B,H17C), C14(H14A,H14B,H14C), C15(H15A,H15B,
 H15C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C), C12(H12A,H12B,H12C)
;
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Co1 Co 0.30763(2) 0.54027(4) 0.27601(2) 0.03165(11) Uani 1 1 d D . . . .
Cl1 Cl 0.36502(4) 0.30564(7) 0.26195(4) 0.04423(15) Uani 1 1 d . . . . .
P1 P 0.19592(3) 0.17700(7) 0.44598(3) 0.03137(13) Uani 1 1 d . . . . .
Cl2 Cl 0.16186(4) 0.55286(8) 0.24833(4) 0.05064(17) Uani 1 1 d . . . . .
O1 O 0.29678(12) 0.6058(2) 0.15039(10) 0.0449(4) Uani 1 1 d D . . . .
H1 H 0.2882(18) 0.5364(18) 0.1103(9) 0.067 Uiso 1 1 d DR . . . .
O2 O 0.47923(11) 0.8413(2) 0.44703(11) 0.0465(4) Uani 1 1 d . . . . .
O3 O 0.25418(11) 0.0986(2) 0.52495(10) 0.0476(4) Uani 1 1 d . . . . .
N2 N 0.34133(11) 0.5140(2) 0.41926(10) 0.0281(4) Uani 1 1 d . . . . .
N1 N 0.39085(12) 0.7204(2) 0.32822(11) 0.0350(4) Uani 1 1 d . . . . .
N3 N 0.24977(12) 0.3127(2) 0.41423(11) 0.0353(4) Uani 1 1 d . . . . .
H3 H 0.232507 0.325986 0.359463 0.042 Uiso 1 1 calc R . . . .
C8 C 0.31775(13) 0.4062(3) 0.46318(12) 0.0294(4) Uani 1 1 d . . . . .
C4 C 0.40310(13) 0.6164(3) 0.46513(13) 0.0303(4) Uani 1 1 d . . . . .
C3 C 0.42353(13) 0.7281(3) 0.41027(14) 0.0334(5) Uani 1 1 d . . . . .
C5 C 0.44503(14) 0.6124(3) 0.55319(13) 0.0361(5) Uani 1 1 d . . . . .
H5 H 0.486136 0.686075 0.582313 0.043 Uiso 1 1 calc R . . . .
C6 C 0.42323(14) 0.4934(3) 0.59660(13) 0.0369(5) Uani 1 1 d . . . . .
H6 H 0.451932 0.484124 0.655874 0.044 Uiso 1 1 calc R . . . .
C7 C 0.36009(14) 0.3898(3) 0.55330(13) 0.0341(5) Uani 1 1 d . . . . .
H7 H 0.345323 0.310312 0.582453 0.041 Uiso 1 1 calc R . . . .
C16 C 0.16029(16) 0.0463(3) 0.35318(16) 0.0428(6) Uani 1 1 d . . . . .
C11 C 0.10830(16) 0.2774(3) 0.46759(17) 0.0451(6) Uani 1 1 d . . . . .
C1 C 0.42845(18) 0.8477(3) 0.29558(16) 0.0484(6) Uani 1 1 d . . . . .
H1A H 0.383181 0.915183 0.258894 0.058 Uiso 1 1 calc R . . . .
H1B H 0.461991 0.809048 0.263117 0.058 Uiso 1 1 calc R . . . .
C13 C 0.0994(2) -0.0768(3) 0.3650(2) 0.0616(8) Uani 1 1 d . . . . .
H13A H 0.122552 -0.114085 0.423203 0.092 Uiso 1 1 calc GR . . . .
H13B H 0.094536 -0.160302 0.326038 0.092 Uiso 1 1 calc GR . . . .
H13C H 0.042910 -0.032895 0.353287 0.092 Uiso 1 1 calc GR . . . .
C17 C 0.2430(2) 0.7322(3) 0.10754(17) 0.0591(7) Uani 1 1 d D . . . .
H17A H 0.254548 0.758534 0.057107 0.089 Uiso 1 1 calc GR . . . .
H17B H 0.255287 0.818968 0.145658 0.089 Uiso 1 1 calc GR . . . .
H17C H 0.182884 0.703967 0.091047 0.089 Uiso 1 1 calc GR . . . .
C2 C 0.4864(2) 0.9310(3) 0.37578(19) 0.0580(7) Uani 1 1 d . . . . .
H2A H 0.546058 0.933409 0.378977 0.070 Uiso 1 1 calc R . . . .
H2B H 0.466435 1.035547 0.376659 0.070 Uiso 1 1 calc R . . . .
C14 C 0.1170(3) 0.1240(4) 0.26556(17) 0.0815(11) Uani 1 1 d . . . . .
H14A H 0.063466 0.171046 0.262536 0.122 Uiso 1 1 calc GR . . . .
H14B H 0.105104 0.048657 0.220727 0.122 Uiso 1 1 calc GR . . . .
H14C H 0.155174 0.201217 0.258411 0.122 Uiso 1 1 calc GR . . . .
C15 C 0.2448(2) -0.0328(4) 0.3564(3) 0.0837(12) Uani 1 1 d . . . . .
H15A H 0.283593 0.042708 0.348682 0.126 Uiso 1 1 calc GR . . . .
H15B H 0.231290 -0.108004 0.311282 0.126 Uiso 1 1 calc GR . . . .
H15C H 0.272224 -0.082318 0.411155 0.126 Uiso 1 1 calc GR . . . .
C9 C 0.1514(2) 0.4024(5) 0.5336(3) 0.0927(13) Uani 1 1 d . . . . .
H9A H 0.195136 0.357152 0.583260 0.139 Uiso 1 1 calc GR . . . .
H9B H 0.108307 0.451708 0.550456 0.139 Uiso 1 1 calc GR . . . .
H9C H 0.177781 0.476942 0.508706 0.139 Uiso 1 1 calc GR . . . .
C10 C 0.0627(3) 0.1665(5) 0.5080(3) 0.0888(12) Uani 1 1 d . . . . .
H10A H 0.029223 0.093683 0.465467 0.133 Uiso 1 1 calc GR . . . .
H10B H 0.024863 0.223218 0.528872 0.133 Uiso 1 1 calc GR . . . .
H10C H 0.105479 0.113032 0.554994 0.133 Uiso 1 1 calc GR . . . .
C12 C 0.0405(2) 0.3474(5) 0.3867(2) 0.0921(13) Uani 1 1 d . . . . .
H12A H 0.068822 0.413713 0.359401 0.138 Uiso 1 1 calc GR . . . .
H12B H -0.000662 0.405778 0.402281 0.138 Uiso 1 1 calc GR . . . .
H12C H 0.010693 0.266842 0.347721 0.138 Uiso 1 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
Co1 Cl1 2.3006(7) . ?
Co1 Cl2 2.2847(7) . ?
Co1 O1 2.1196(16) . ?
Co1 N2 2.2607(16) . ?
Co1 N1 2.0546(18) . ?
P1 O3 1.4804(16) . ?
P1 N3 1.6804(19) . ?
P1 C16 1.836(2) . ?
P1 C11 1.841(3) . ?
O1 H1 0.873(9) . ?
O1 C17 1.429(3) . ?
O2 C3 1.333(2) . ?
O2 C2 1.465(3) . ?
N2 C8 1.337(3) . ?
N2 C4 1.358(3) . ?
N1 C3 1.276(3) . ?
N1 C1 1.472(3) . ?
N3 H3 0.8600 . ?
N3 C8 1.383(3) . ?
C8 C7 1.413(3) . ?
C4 C3 1.461(3) . ?
C4 C5 1.375(3) . ?
C5 H5 0.9300 . ?
C5 C6 1.387(3) . ?
C6 H6 0.9300 . ?
C6 C7 1.366(3) . ?
C7 H7 0.9300 . ?
C16 C13 1.534(4) . ?
C16 C14 1.529(4) . ?
C16 C15 1.543(4) . ?
C11 C9 1.524(4) . ?
C11 C10 1.529(4) . ?
C11 C12 1.526(4) . ?
C1 H1A 0.9700 . ?
C1 H1B 0.9700 . ?
C1 C2 1.512(4) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C2 H2A 0.9700 . ?
C2 H2B 0.9700 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C12 H12A 0.9600 . ?
C12 H12B 0.9600 . ?
C12 H12C 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
Cl2 Co1 Cl1 117.86(3) . . ?
O1 Co1 Cl1 91.32(5) . . ?
O1 Co1 Cl2 95.33(5) . . ?
O1 Co1 N2 167.04(7) . . ?
N2 Co1 Cl1 94.04(5) . . ?
N2 Co1 Cl2 92.58(5) . . ?
N1 Co1 Cl1 118.89(6) . . ?
N1 Co1 Cl2 122.71(6) . . ?
N1 Co1 O1 90.70(7) . . ?
N1 Co1 N2 76.39(7) . . ?
O3 P1 N3 111.07(10) . . ?
O3 P1 C16 111.53(12) . . ?
O3 P1 C11 110.04(11) . . ?
N3 P1 C16 102.08(10) . . ?
N3 P1 C11 106.16(11) . . ?
C16 P1 C11 115.56(12) . . ?
Co1 O1 H1 120.3(13) . . ?
C17 O1 Co1 120.75(16) . . ?
C17 O1 H1 104.7(13) . . ?
C3 O2 C2 105.63(18) . . ?
C8 N2 Co1 130.27(13) . . ?
C8 N2 C4 117.55(17) . . ?
C4 N2 Co1 111.68(13) . . ?
C3 N1 Co1 116.51(15) . . ?
C3 N1 C1 106.91(19) . . ?
C1 N1 Co1 136.53(15) . . ?
P1 N3 H3 115.2 . . ?
C8 N3 P1 129.55(14) . . ?
C8 N3 H3 115.2 . . ?
N2 C8 N3 115.29(17) . . ?
N2 C8 C7 121.78(19) . . ?
N3 C8 C7 122.9(2) . . ?
N2 C4 C3 112.54(17) . . ?
N2 C4 C5 124.2(2) . . ?
C5 C4 C3 123.19(19) . . ?
O2 C3 C4 118.97(19) . . ?
N1 C3 O2 118.6(2) . . ?
N1 C3 C4 122.42(19) . . ?
C4 C5 H5 121.5 . . ?
C4 C5 C6 117.0(2) . . ?
C6 C5 H5 121.5 . . ?
C5 C6 H6 119.6 . . ?
C7 C6 C5 120.8(2) . . ?
C7 C6 H6 119.6 . . ?
C8 C7 H7 120.8 . . ?
C6 C7 C8 118.5(2) . . ?
C6 C7 H7 120.8 . . ?
C13 C16 P1 110.06(18) . . ?
C13 C16 C15 108.4(2) . . ?
C14 C16 P1 115.16(19) . . ?
C14 C16 C13 109.7(2) . . ?
C14 C16 C15 109.0(3) . . ?
C15 C16 P1 104.20(19) . . ?
C9 C11 P1 106.88(19) . . ?
C9 C11 C10 107.7(3) . . ?
C9 C11 C12 110.4(3) . . ?
C10 C11 P1 110.0(2) . . ?
C12 C11 P1 112.9(2) . . ?
C12 C11 C10 108.8(3) . . ?
N1 C1 H1A 110.9 . . ?
N1 C1 H1B 110.9 . . ?
N1 C1 C2 104.3(2) . . ?
H1A C1 H1B 108.9 . . ?
C2 C1 H1A 110.9 . . ?
C2 C1 H1B 110.9 . . ?
C16 C13 H13A 109.5 . . ?
C16 C13 H13B 109.5 . . ?
C16 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
O1 C17 H17A 109.5 . . ?
O1 C17 H17B 109.5 . . ?
O1 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
O2 C2 C1 104.49(19) . . ?
O2 C2 H2A 110.9 . . ?
O2 C2 H2B 110.9 . . ?
C1 C2 H2A 110.9 . . ?
C1 C2 H2B 110.9 . . ?
H2A C2 H2B 108.9 . . ?
C16 C14 H14A 109.5 . . ?
C16 C14 H14B 109.5 . . ?
C16 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 H15A 109.5 . . ?
C16 C15 H15B 109.5 . . ?
C16 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C11 C9 H9A 109.5 . . ?
C11 C9 H9B 109.5 . . ?
C11 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 H10A 109.5 . . ?
C11 C10 H10B 109.5 . . ?
C11 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 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
Co1 N2 C8 N3 -13.9(3) . . . . ?
Co1 N2 C8 C7 165.91(15) . . . . ?
Co1 N2 C4 C3 7.1(2) . . . . ?
Co1 N2 C4 C5 -170.15(17) . . . . ?
Co1 N1 C3 O2 178.69(15) . . . . ?
Co1 N1 C3 C4 -0.4(3) . . . . ?
Co1 N1 C1 C2 -178.77(19) . . . . ?
P1 N3 C8 N2 -173.69(16) . . . . ?
P1 N3 C8 C7 6.5(3) . . . . ?
O3 P1 N3 C8 -33.1(2) . . . . ?
O3 P1 C16 C13 68.4(2) . . . . ?
O3 P1 C16 C14 -167.0(2) . . . . ?
O3 P1 C16 C15 -47.6(2) . . . . ?
O3 P1 C11 C9 64.2(3) . . . . ?
O3 P1 C11 C10 -52.5(2) . . . . ?
O3 P1 C11 C12 -174.2(2) . . . . ?
N2 C8 C7 C6 3.9(3) . . . . ?
N2 C4 C3 O2 175.90(18) . . . . ?
N2 C4 C3 N1 -5.0(3) . . . . ?
N2 C4 C5 C6 1.4(3) . . . . ?
N1 C1 C2 O2 1.9(3) . . . . ?
N3 P1 C16 C13 -172.91(19) . . . . ?
N3 P1 C16 C14 -48.4(2) . . . . ?
N3 P1 C16 C15 71.0(2) . . . . ?
N3 P1 C11 C9 -56.1(3) . . . . ?
N3 P1 C11 C10 -172.8(2) . . . . ?
N3 P1 C11 C12 65.5(3) . . . . ?
N3 C8 C7 C6 -176.3(2) . . . . ?
C8 N2 C4 C3 179.88(18) . . . . ?
C8 N2 C4 C5 2.6(3) . . . . ?
C4 N2 C8 N3 174.94(18) . . . . ?
C4 N2 C8 C7 -5.3(3) . . . . ?
C4 C5 C6 C7 -2.8(3) . . . . ?
C3 O2 C2 C1 -1.4(3) . . . . ?
C3 N1 C1 C2 -1.8(3) . . . . ?
C3 C4 C5 C6 -175.6(2) . . . . ?
C5 C4 C3 O2 -6.8(3) . . . . ?
C5 C4 C3 N1 172.3(2) . . . . ?
C5 C6 C7 C8 0.3(3) . . . . ?
C16 P1 N3 C8 -152.1(2) . . . . ?
C16 P1 C11 C9 -168.4(2) . . . . ?
C16 P1 C11 C10 74.9(2) . . . . ?
C16 P1 C11 C12 -46.8(3) . . . . ?
C11 P1 N3 C8 86.5(2) . . . . ?
C11 P1 C16 C13 -58.2(2) . . . . ?
C11 P1 C16 C14 66.3(3) . . . . ?
C11 P1 C16 C15 -174.3(2) . . . . ?
C1 N1 C3 O2 1.0(3) . . . . ?
C1 N1 C3 C4 -178.1(2) . . . . ?
C2 O2 C3 N1 0.3(3) . . . . ?
C2 O2 C3 C4 179.4(2) . . . . ?

_shelx_SHELXL_version_number     2016/6
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 5.549
_oxdiff_exptl_absorpt_empirical_full_min 0.581
