#------------------------------------------------------------------------------
#$Date: 2021-02-05 00:23:58 +0200 (Fri, 05 Feb 2021) $
#$Revision: 261519 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/55/95/1559567.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1559567
loop_
_publ_author_name
'Zhang, Qiuyue'
'Li, Zilong'
'Han, Mingyang'
'Xiang, Junfeng'
'Solan, Gregory A.'
'Ma, Yanping'
'Liang, Tongling'
'Sun, Wen-Hua'
_publ_section_title
;
 Fluorinated cobalt catalysts and their use in forming narrowly dispersed
 polyethylene waxes of high linearity and incorporating vinyl
 functionality
;
_journal_issue                   2
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              656
_journal_page_last               670
_journal_paper_doi               10.1039/D0CY01917H
_journal_volume                  11
_journal_year                    2021
_chemical_formula_moiety         'C49 H38 Cl2 Co F5 N3'
_chemical_formula_sum            'C49 H38 Cl2 Co F5 N3'
_chemical_formula_weight         893.65
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2019-02-25
_audit_creation_method
;
Olex2 1.2
(compiled 2017.08.10 svn.r3458 for OlexSys, GUI svn.r5381)
;
_audit_update_record
;
2020-08-18 deposited with the CCDC.	2020-11-10 downloaded from the CCDC.
;
_cell_angle_alpha                97.115(3)
_cell_angle_beta                 92.063(4)
_cell_angle_gamma                98.641(4)
_cell_formula_units_Z            2
_cell_length_a                   11.8773(6)
_cell_length_b                   12.8721(5)
_cell_length_c                   14.5308(6)
_cell_measurement_reflns_used    7061
_cell_measurement_temperature    170.00(10)
_cell_measurement_theta_max      28.0380
_cell_measurement_theta_min      3.5260
_cell_volume                     2176.04(17)
_computing_cell_refinement       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_collection       'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_computing_data_reduction        'CrysAlisPro 1.171.39.45i (Rigaku OD, 2018)'
_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    'SIR2004 (Burla et al., 2007)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      170.00(10)
_diffrn_detector                 'CCD plate'
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.872
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω      5.00  32.00   0.50   12.00    --    5.00  45.00 120.00   54
  2  ω   -104.00 -46.00   0.50   12.00    --  -15.10  45.00  90.00  116
  3  ω   -103.00  -9.00   0.50   12.00    --  -15.10  45.00 150.00  188
  4  ω   -104.00  62.00   0.50   12.00    --  -15.10  45.00  30.00  332
  5  ω    -48.00 -21.00   0.50   12.00    --  -15.10  45.00 -19.23   54
  6  ω     18.00  64.00   0.50   12.00    --  -15.10  45.00 -19.23   92
  7  ω    -29.00  74.00   0.50   12.00    --  -15.10  45.00  90.00  206
  8  ω     -7.00  24.00   0.50   12.00    --  -15.10  45.00 150.00   62
  9  ω   -103.00 -49.00   0.50   12.00    --  -15.10  45.00 169.97  108
 10  ω     20.00  74.00   0.50   12.00    --  -15.10  45.00 179.70  108
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB AFC10 (RCD3): fixed-chi single'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0162110000
_diffrn_orient_matrix_UB_12      -0.0389990000
_diffrn_orient_matrix_UB_13      0.0295054000
_diffrn_orient_matrix_UB_21      0.0560050000
_diffrn_orient_matrix_UB_22      0.0095314000
_diffrn_orient_matrix_UB_23      0.0211128000
_diffrn_orient_matrix_UB_31      -0.0161465000
_diffrn_orient_matrix_UB_32      0.0393556000
_diffrn_orient_matrix_UB_33      0.0333329000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0416
_diffrn_reflns_av_unetI/netI     0.0609
_diffrn_reflns_Laue_measured_fraction_full 0.996
_diffrn_reflns_Laue_measured_fraction_max 0.872
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            35166
_diffrn_reflns_point_group_measured_fraction_full 0.996
_diffrn_reflns_point_group_measured_fraction_max 0.872
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.862
_diffrn_reflns_theta_min         3.437
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    0.576
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.89332
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.39.45i (Rigaku Oxford Diffraction, 2018)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'light green'
_exptl_crystal_density_diffrn    1.364
_exptl_crystal_description       block
_exptl_crystal_F_000             918
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.251
_exptl_crystal_size_min          0.123
_refine_diff_density_max         0.569
_refine_diff_density_min         -0.413
_refine_diff_density_rms         0.066
_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     545
_refine_ls_number_reflns         11961
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.1013
_refine_ls_R_factor_gt           0.0515
_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)+(0.0557P)²+1.3076P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1174
_refine_ls_wR_factor_ref         0.1438
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7274
_reflns_number_total             11961
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0cy01917h2.cif
_cod_data_source_block           Co1
_cod_depositor_comments
'Adding full bibliography for 1559567--1559568.cif.'
_cod_database_code               1559567
_shelx_shelxl_version_number     2017/1
_chemical_oxdiff_usercomment     'C H N Co Cl F'
_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.
;
_reflns_odcompleteness_completeness 99.76
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     27.82
_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 Ternary CH refined with riding coordinates:
 C37(H37), C24(H24)
2.b Aromatic/amide H refined with riding coordinates:
 C22(H22), C20(H20), C5(H5), C6(H6), C4(H4), C36(H36), C45(H45), C35(H35),
 C43(H43), C32(H32), C42(H42), C46(H46), C30(H30), C39(H39), C49(H49), C14(H14),
  C13(H13), C26(H26), C12(H12), C29(H29), C48(H48), C40(H40), C33(H33), C27(H27)
2.c Idealised Me refined as rotating group:
 C1(H1A,H1B,H1C), C9(H9A,H9B,H9C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C)
;
_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 1.258
_oxdiff_exptl_absorpt_empirical_full_min 0.856
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
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 0.39084(3) 0.73415(3) 0.49053(2) 0.03398(10) Uani 1 1 d . . . . .
Cl2 Cl 0.30644(6) 0.86848(6) 0.55916(5) 0.04774(18) Uani 1 1 d . . . . .
Cl1 Cl 0.27966(6) 0.58670(6) 0.42028(5) 0.05007(18) Uani 1 1 d . . . . .
F1 F 0.39377(14) 0.44936(11) 0.58340(11) 0.0471(4) Uani 1 1 d . . . . .
F3 F -0.09507(17) 0.92033(17) 0.87916(14) 0.0710(6) Uani 1 1 d . . . . .
F4 F -0.05117(17) -0.00360(14) 0.60042(14) 0.0704(6) Uani 1 1 d . . . . .
F5 F 0.18636(19) 0.36805(19) 1.17378(13) 0.0799(6) Uani 1 1 d . . . . .
N2 N 0.56381(17) 0.75901(15) 0.50833(14) 0.0317(4) Uani 1 1 d . . . . .
N1 N 0.45070(17) 0.80415(15) 0.36527(14) 0.0333(4) Uani 1 1 d . . . . .
F2 F 0.67001(18) 0.86581(19) 1.04621(15) 0.0871(7) Uani 1 1 d . . . . .
N3 N 0.42852(17) 0.66387(15) 0.62011(14) 0.0312(4) Uani 1 1 d . . . . .
C3 C 0.6267(2) 0.80717(18) 0.44652(16) 0.0318(5) Uani 1 1 d . . . . .
C7 C 0.6149(2) 0.72382(18) 0.57952(17) 0.0318(5) Uani 1 1 d . . . . .
C22 C 0.2463(2) 0.42741(19) 0.68536(18) 0.0371(6) Uani 1 1 d . . . . .
H22 H 0.235964 0.354586 0.667258 0.045 Uiso 1 1 calc R . . . .
C8 C 0.5353(2) 0.66893(18) 0.64142(17) 0.0325(5) Uani 1 1 d . . . . .
C21 C 0.1796(2) 0.47074(18) 0.75165(17) 0.0344(5) Uani 1 1 d . . . . .
C20 C 0.2001(2) 0.58057(19) 0.77711(18) 0.0361(5) Uani 1 1 d . . . . .
H20 H 0.156642 0.610258 0.822264 0.043 Uiso 1 1 calc R . . . .
C2 C 0.5588(2) 0.83192(18) 0.36539(17) 0.0330(5) Uani 1 1 d . . . . .
C5 C 0.7986(2) 0.7870(2) 0.52822(18) 0.0377(6) Uani 1 1 d . . . . .
H5 H 0.877825 0.796345 0.534716 0.045 Uiso 1 1 calc R . . . .
C18 C 0.3468(2) 0.60239(18) 0.66982(16) 0.0317(5) Uani 1 1 d . . . . .
C19 C 0.2826(2) 0.64725(18) 0.73792(17) 0.0328(5) Uani 1 1 d . . . . .
C44 C 0.1179(2) 0.40061(18) 0.89991(18) 0.0342(5) Uani 1 1 d . . . . .
C31 C 0.2010(2) 0.81031(18) 0.80306(17) 0.0359(5) Uani 1 1 d . . . . .
C6 C 0.7331(2) 0.73451(19) 0.59032(18) 0.0362(5) Uani 1 1 d . . . . .
H6 H 0.767572 0.706918 0.638349 0.043 Uiso 1 1 calc R . . . .
C37 C 0.0873(2) 0.40422(19) 0.79815(17) 0.0344(5) Uani 1 1 d . . . . .
H37 H 0.020156 0.440017 0.796643 0.041 Uiso 1 1 calc R . . . .
C23 C 0.3278(2) 0.49332(19) 0.64682(18) 0.0366(6) Uani 1 1 d . . . . .
C10 C 0.3782(2) 0.81348(19) 0.28638(17) 0.0336(5) Uani 1 1 d . . . . .
C25 C 0.4070(2) 0.79013(19) 0.84446(17) 0.0352(5) Uani 1 1 d . . . . .
C4 C 0.7449(2) 0.82544(19) 0.45642(18) 0.0365(5) Uani 1 1 d . . . . .
H4 H 0.787435 0.862997 0.415356 0.044 Uiso 1 1 calc R . . . .
C36 C 0.1054(2) 0.7941(2) 0.74183(19) 0.0419(6) Uani 1 1 d . . . . .
H36 H 0.108444 0.757900 0.682691 0.050 Uiso 1 1 calc R . . . .
C24 C 0.3083(2) 0.76617(18) 0.77153(17) 0.0346(5) Uani 1 1 d . . . . .
H24 H 0.333722 0.801131 0.718044 0.042 Uiso 1 1 calc R . . . .
C1 C 0.6215(2) 0.8798(2) 0.28972(19) 0.0412(6) Uani 1 1 d . . . . .
H1A H 0.671354 0.833003 0.263737 0.062 Uiso 1 1 calc GR . . . .
H1B H 0.665724 0.946664 0.314678 0.062 Uiso 1 1 calc GR . . . .
H1C H 0.567849 0.890365 0.242116 0.062 Uiso 1 1 calc GR . . . .
C38 C 0.0506(2) 0.29320(19) 0.74623(18) 0.0360(5) Uani 1 1 d . . . . .
C9 C 0.5862(2) 0.6253(2) 0.72039(19) 0.0412(6) Uani 1 1 d . . . . .
H9A H 0.526491 0.592973 0.755208 0.062 Uiso 1 1 calc GR . . . .
H9B H 0.633453 0.681550 0.759977 0.062 Uiso 1 1 calc GR . . . .
H9C H 0.631593 0.573177 0.696971 0.062 Uiso 1 1 calc GR . . . .
C15 C 0.3272(2) 0.9049(2) 0.28525(19) 0.0406(6) Uani 1 1 d . . . . .
C45 C 0.0312(2) 0.3763(2) 0.95880(19) 0.0426(6) Uani 1 1 d . . . . .
H45 H -0.044233 0.367965 0.935947 0.051 Uiso 1 1 calc R . . . .
C35 C 0.0064(3) 0.8306(2) 0.7672(2) 0.0470(7) Uani 1 1 d . . . . .
H35 H -0.057533 0.818641 0.726176 0.056 Uiso 1 1 calc R . . . .
C11 C 0.3574(2) 0.7285(2) 0.21543(18) 0.0387(6) Uani 1 1 d . . . . .
C43 C 0.0927(2) 0.2053(2) 0.77190(19) 0.0391(6) Uani 1 1 d . . . . .
H43 H 0.143985 0.213471 0.823124 0.047 Uiso 1 1 calc R . . . .
C32 C 0.1959(3) 0.8674(2) 0.88922(19) 0.0448(6) Uani 1 1 d . . . . .
H32 H 0.259726 0.880569 0.930410 0.054 Uiso 1 1 calc R . . . .
C42 C 0.0592(2) 0.1052(2) 0.7220(2) 0.0445(7) Uani 1 1 d . . . . .
H42 H 0.088316 0.046508 0.738580 0.053 Uiso 1 1 calc R . . . .
C46 C 0.0537(3) 0.3643(2) 1.0502(2) 0.0490(7) Uani 1 1 d . . . . .
H46 H -0.005374 0.346805 1.088542 0.059 Uiso 1 1 calc R . . . .
C30 C 0.4140(2) 0.7306(2) 0.91702(19) 0.0441(6) Uani 1 1 d . . . . .
H30 H 0.357995 0.672485 0.920234 0.053 Uiso 1 1 calc R . . . .
C39 C -0.0269(2) 0.2783(2) 0.6705(2) 0.0449(6) Uani 1 1 d . . . . .
H39 H -0.056533 0.336138 0.652732 0.054 Uiso 1 1 calc R . . . .
C47 C 0.1647(3) 0.3785(2) 1.0831(2) 0.0515(7) Uani 1 1 d . . . . .
C49 C 0.2292(2) 0.4141(2) 0.9368(2) 0.0463(7) Uani 1 1 d . . . . .
H49 H 0.288936 0.431012 0.898967 0.056 Uiso 1 1 calc R . . . .
C14 C 0.2492(2) 0.9056(2) 0.2121(2) 0.0481(7) Uani 1 1 d . . . . .
H14 H 0.213664 0.964887 0.209459 0.058 Uiso 1 1 calc R . . . .
C41 C -0.0173(3) 0.0956(2) 0.6485(2) 0.0493(7) Uani 1 1 d . . . . .
C13 C 0.2232(2) 0.8208(3) 0.1432(2) 0.0528(8) Uani 1 1 d . . . . .
H13 H 0.168566 0.822188 0.096099 0.063 Uiso 1 1 calc R . . . .
C26 C 0.4920(3) 0.8762(2) 0.8423(2) 0.0508(7) Uani 1 1 d . . . . .
H26 H 0.489494 0.917632 0.794390 0.061 Uiso 1 1 calc R . . . .
C12 C 0.2783(2) 0.7334(2) 0.1442(2) 0.0481(7) Uani 1 1 d . . . . .
H12 H 0.261974 0.677273 0.096395 0.058 Uiso 1 1 calc R . . . .
C16 C 0.4211(3) 0.6352(2) 0.2152(2) 0.0508(7) Uani 1 1 d . . . . .
H16A H 0.500074 0.657499 0.205253 0.076 Uiso 1 1 calc GR . . . .
H16B H 0.389024 0.580470 0.166284 0.076 Uiso 1 1 calc GR . . . .
H16C H 0.414742 0.608281 0.273826 0.076 Uiso 1 1 calc GR . . . .
C34 C 0.0038(3) 0.8852(2) 0.8544(2) 0.0499(7) Uani 1 1 d . . . . .
C17 C 0.3568(3) 0.9980(2) 0.3596(2) 0.0533(8) Uani 1 1 d . . . . .
H17A H 0.334704 0.977313 0.418362 0.080 Uiso 1 1 calc GR . . . .
H17B H 0.317098 1.054277 0.345344 0.080 Uiso 1 1 calc GR . . . .
H17C H 0.437520 1.022093 0.362522 0.080 Uiso 1 1 calc GR . . . .
C29 C 0.5024(3) 0.7552(3) 0.9850(2) 0.0542(8) Uani 1 1 d . . . . .
H29 H 0.506338 0.714324 1.033174 0.065 Uiso 1 1 calc R . . . .
C48 C 0.2539(3) 0.4029(3) 1.0290(2) 0.0547(8) Uani 1 1 d . . . . .
H48 H 0.328821 0.411763 1.052972 0.066 Uiso 1 1 calc R . . . .
C40 C -0.0613(3) 0.1788(3) 0.6206(2) 0.0527(7) Uani 1 1 d . . . . .
H40 H -0.113063 0.169284 0.569540 0.063 Uiso 1 1 calc R . . . .
C33 C 0.0965(3) 0.9057(3) 0.9154(2) 0.0553(8) Uani 1 1 d . . . . .
H33 H 0.093517 0.944408 0.973448 0.066 Uiso 1 1 calc R . . . .
C28 C 0.5833(3) 0.8411(3) 0.9794(2) 0.0607(8) Uani 1 1 d . . . . .
C27 C 0.5803(3) 0.9020(3) 0.9095(3) 0.0668(9) Uani 1 1 d . . . . .
H27 H 0.636744 0.959992 0.907012 0.080 Uiso 1 1 calc R . . . .
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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
Cl1 Co1 Cl2 118.74(3) . . ?
N2 Co1 Cl2 114.21(6) . . ?
N2 Co1 Cl1 126.91(6) . . ?
N2 Co1 N1 75.42(8) . . ?
N2 Co1 N3 74.95(8) . . ?
N1 Co1 Cl2 99.49(5) . . ?
N1 Co1 Cl1 99.03(6) . . ?
N1 Co1 N3 149.95(8) . . ?
N3 Co1 Cl2 97.07(5) . . ?
N3 Co1 Cl1 94.69(5) . . ?
C3 N2 Co1 119.65(16) . . ?
C3 N2 C7 120.1(2) . . ?
C7 N2 Co1 120.22(16) . . ?
C2 N1 Co1 114.61(16) . . ?
C2 N1 C10 120.7(2) . . ?
C10 N1 Co1 124.64(15) . . ?
C8 N3 Co1 114.31(16) . . ?
C8 N3 C18 119.1(2) . . ?
C18 N3 Co1 125.82(15) . . ?
N2 C3 C2 114.3(2) . . ?
N2 C3 C4 121.2(2) . . ?
C4 C3 C2 124.4(2) . . ?
N2 C7 C8 114.6(2) . . ?
N2 C7 C6 121.4(2) . . ?
C6 C7 C8 123.9(2) . . ?
C23 C22 C21 119.1(2) . . ?
N3 C8 C7 115.8(2) . . ?
N3 C8 C9 126.7(2) . . ?
C9 C8 C7 117.5(2) . . ?
C22 C21 C20 117.9(2) . . ?
C22 C21 C37 122.9(2) . . ?
C20 C21 C37 119.1(2) . . ?
C19 C20 C21 122.9(2) . . ?
N1 C2 C3 115.8(2) . . ?
N1 C2 C1 125.7(2) . . ?
C1 C2 C3 118.4(2) . . ?
C4 C5 C6 119.3(2) . . ?
C19 C18 N3 123.2(2) . . ?
C23 C18 N3 118.5(2) . . ?
C23 C18 C19 118.3(2) . . ?
C20 C19 C18 118.3(2) . . ?
C20 C19 C24 121.7(2) . . ?
C18 C19 C24 119.9(2) . . ?
C45 C44 C37 119.0(2) . . ?
C45 C44 C49 117.4(2) . . ?
C49 C44 C37 123.4(2) . . ?
C36 C31 C24 118.9(2) . . ?
C32 C31 C36 118.4(3) . . ?
C32 C31 C24 122.7(2) . . ?
C5 C6 C7 118.8(2) . . ?
C21 C37 C38 113.4(2) . . ?
C44 C37 C21 112.7(2) . . ?
C44 C37 C38 111.3(2) . . ?
F1 C23 C22 118.3(2) . . ?
F1 C23 C18 118.3(2) . . ?
C22 C23 C18 123.4(2) . . ?
C15 C10 N1 119.3(2) . . ?
C11 C10 N1 118.2(2) . . ?
C11 C10 C15 122.5(2) . . ?
C30 C25 C24 122.2(2) . . ?
C30 C25 C26 117.3(3) . . ?
C26 C25 C24 120.5(2) . . ?
C5 C4 C3 119.1(2) . . ?
C35 C36 C31 121.2(3) . . ?
C19 C24 C31 111.7(2) . . ?
C25 C24 C19 110.5(2) . . ?
C25 C24 C31 113.7(2) . . ?
C43 C38 C37 122.2(2) . . ?
C39 C38 C37 119.6(2) . . ?
C39 C38 C43 118.2(2) . . ?
C10 C15 C17 121.3(2) . . ?
C14 C15 C10 117.0(3) . . ?
C14 C15 C17 121.6(3) . . ?
C46 C45 C44 121.8(3) . . ?
C34 C35 C36 118.7(3) . . ?
C10 C11 C16 121.0(2) . . ?
C12 C11 C10 117.9(3) . . ?
C12 C11 C16 121.2(3) . . ?
C38 C43 C42 120.9(3) . . ?
C31 C32 C33 120.9(3) . . ?
C41 C42 C43 118.1(3) . . ?
C47 C46 C45 118.4(3) . . ?
C25 C30 C29 121.8(3) . . ?
C38 C39 C40 121.4(3) . . ?
F5 C47 C46 118.1(3) . . ?
F5 C47 C48 119.2(3) . . ?
C48 C47 C46 122.7(3) . . ?
C44 C49 C48 121.7(3) . . ?
C13 C14 C15 121.7(3) . . ?
C42 C41 F4 117.8(3) . . ?
C40 C41 F4 118.8(3) . . ?
C40 C41 C42 123.4(3) . . ?
C14 C13 C12 120.0(3) . . ?
C27 C26 C25 121.7(3) . . ?
C13 C12 C11 120.8(3) . . ?
F3 C34 C35 118.2(3) . . ?
C33 C34 F3 119.8(3) . . ?
C33 C34 C35 122.0(3) . . ?
C28 C29 C30 118.2(3) . . ?
C47 C48 C49 117.9(3) . . ?
C41 C40 C39 118.1(3) . . ?
C34 C33 C32 118.8(3) . . ?
F2 C28 C29 118.4(3) . . ?
C27 C28 F2 119.3(3) . . ?
C27 C28 C29 122.2(3) . . ?
C28 C27 C26 118.8(3) . . ?
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 Cl2 2.2704(7) . ?
Co1 Cl1 2.2490(7) . ?
Co1 N2 2.033(2) . ?
Co1 N1 2.222(2) . ?
Co1 N3 2.247(2) . ?
F1 C23 1.356(3) . ?
F3 C34 1.365(3) . ?
F4 C41 1.373(3) . ?
F5 C47 1.361(3) . ?
N2 C3 1.340(3) . ?
N2 C7 1.341(3) . ?
N1 C2 1.280(3) . ?
N1 C10 1.436(3) . ?
F2 C28 1.363(4) . ?
N3 C8 1.285(3) . ?
N3 C18 1.432(3) . ?
C3 C2 1.497(3) . ?
C3 C4 1.387(3) . ?
C7 C8 1.490(3) . ?
C7 C6 1.391(3) . ?
C22 C21 1.386(4) . ?
C22 C23 1.371(3) . ?
C8 C9 1.487(3) . ?
C21 C20 1.398(3) . ?
C21 C37 1.519(3) . ?
C20 C19 1.389(3) . ?
C2 C1 1.494(3) . ?
C5 C6 1.386(4) . ?
C5 C4 1.384(4) . ?
C18 C19 1.393(3) . ?
C18 C23 1.385(3) . ?
C19 C24 1.529(3) . ?
C44 C37 1.518(3) . ?
C44 C45 1.387(4) . ?
C44 C49 1.387(4) . ?
C31 C36 1.391(4) . ?
C31 C24 1.534(4) . ?
C31 C32 1.379(4) . ?
C37 C38 1.524(3) . ?
C10 C15 1.404(4) . ?
C10 C11 1.393(4) . ?
C25 C24 1.521(4) . ?
C25 C30 1.386(4) . ?
C25 C26 1.387(4) . ?
C36 C35 1.377(4) . ?
C38 C43 1.390(4) . ?
C38 C39 1.384(4) . ?
C15 C14 1.386(4) . ?
C15 C17 1.501(4) . ?
C45 C46 1.377(4) . ?
C35 C34 1.374(4) . ?
C11 C12 1.387(4) . ?
C11 C16 1.513(4) . ?
C43 C42 1.392(4) . ?
C32 C33 1.394(4) . ?
C42 C41 1.359(4) . ?
C46 C47 1.364(4) . ?
C30 C29 1.388(4) . ?
C39 C40 1.388(4) . ?
C47 C48 1.364(4) . ?
C49 C48 1.389(4) . ?
C14 C13 1.376(4) . ?
C41 C40 1.358(4) . ?
C13 C12 1.385(4) . ?
C26 C27 1.380(4) . ?
C34 C33 1.360(4) . ?
C29 C28 1.364(4) . ?
C28 C27 1.361(5) . ?
