#------------------------------------------------------------------------------
#$Date: 2020-08-14 04:42:52 +0300 (Fri, 14 Aug 2020) $
#$Revision: 255306 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/51/7705146.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_7705146
loop_
_publ_author_name
'Hrub\'y, J.'
'Dvo\<r\'ak, D.'
'Squillantini, L.'
'Mannini, M.'
'van Slageren, J.'
'Herchel, R.'
'Nemec, I.'
'Neugebauer, P.'
_publ_section_title
;
 Co(ii)-Based single-ion magnets with
 1,1&#x2032;-ferrocenediyl-bis(diphenylphosphine) metalloligands
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D0DT01512A
_journal_year                    2020
_chemical_formula_sum            'C34 H28 Cl2 Co Fe P2'
_chemical_formula_weight         684.18
_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
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-04-24 deposited with the CCDC.	2020-07-20 downloaded from the CCDC.
;
_cell_angle_alpha                96.099(5)
_cell_angle_beta                 99.950(5)
_cell_angle_gamma                115.437(6)
_cell_formula_units_Z            2
_cell_length_a                   9.6088(6)
_cell_length_b                   9.7213(6)
_cell_length_c                   18.0783(10)
_cell_measurement_reflns_used    19283
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      33.262
_cell_measurement_theta_min      2.927
_cell_volume                     1470.81(18)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.'
_computing_molecular_graphics    'MERCURY (Macrae et al., 2006)'
_computing_publication_material  ' enCIFer (Allen et al., 2004)'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Sapphire2, large Be window'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0514
_diffrn_reflns_av_unetI/netI     0.0566
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            12807
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.996
_diffrn_reflns_theta_max         24.996
_diffrn_reflns_theta_min         2.927
_exptl_absorpt_coefficient_mu    1.371
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.766
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.33.52 (release 06-11-2009 CrysAlis171 .NET)
(compiled Nov  6 2009,16:24:50)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.545
_exptl_crystal_description       plate
_exptl_crystal_F_000             698
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.220
_exptl_crystal_size_min          0.140
_refine_diff_density_max         1.477
_refine_diff_density_min         -0.797
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.976
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5182
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.976
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0449
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0801P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1153
_refine_ls_wR_factor_ref         0.1191
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3995
_reflns_number_total             5182
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01512a2.cif
_cod_data_source_block           01
_cod_original_cell_volume        1470.81(17)
_cod_database_code               7705146
_shelx_shelxl_version_number     2014/7
_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.
;
_shelx_estimated_absorpt_t_min   0.734
_shelx_estimated_absorpt_t_max   0.831
_shelx_res_file
;

    shelx.res created by SHELXL-2014/7

TITL 01 run in space group P -1
CELL  0.71073   9.6088   9.7213  18.0783   96.099   99.950  115.437
ZERR     2.00   0.0006   0.0006   0.0010    0.005    0.005    0.006
LATT   1
SFAC  C    H    P    FE   CO   CL
UNIT  68 56 4 2 2 4
MERG   2
OMIT     0.00  50.00
MORE -1
FMAP   2
PLAN   25
SIZE     0.140   0.220   0.240
ACTA
BOND   $H
CONF
L.S.  10
TEMP  -123.00
WGHT    0.080100
FVAR       1.21011
C1    1    0.094337   -0.262118    0.116024    11.00000    0.01567    0.01903 =
         0.01610    0.00045    0.00393    0.00882
C2    1    0.065085   -0.169385    0.067835    11.00000    0.02036    0.01893 =
         0.02339    0.00063    0.00350    0.00945
AFIX  43
H2    2    0.139750   -0.063001    0.075155    11.00000   -1.20000
AFIX   0
C3    1   -0.071893   -0.231559    0.009560    11.00000    0.02384    0.02954 =
         0.02333    0.00809    0.00488    0.01567
AFIX  43
H3    2   -0.089935   -0.167811   -0.023325    11.00000   -1.20000
AFIX   0
C4    1   -0.183149   -0.385867   -0.001392    11.00000    0.02041    0.03560 =
         0.01818   -0.00012    0.00175    0.01448
AFIX  43
H4    2   -0.276964   -0.428253   -0.041647    11.00000   -1.20000
AFIX   0
C5    1   -0.156031   -0.477372    0.046929    11.00000    0.02304    0.02395 =
         0.03231    0.00240    0.00361    0.00559
AFIX  43
H5    2   -0.232223   -0.583051    0.040135    11.00000   -1.20000
AFIX   0
C6    1   -0.018974   -0.416435    0.105069    11.00000    0.02316    0.01934 =
         0.02369    0.00427    0.00322    0.00946
AFIX  43
H6    2   -0.001948   -0.480664    0.137929    11.00000   -1.20000
AFIX   0
C7    1    0.257991   -0.307516    0.255361    11.00000    0.01272    0.01226 =
         0.02356    0.00310    0.00628    0.00696
C8    1    0.251406   -0.452857    0.232053    11.00000    0.02223    0.01903 =
         0.02120    0.00319    0.00707    0.01023
AFIX  43
H8    2    0.257153   -0.483219    0.181408    11.00000   -1.20000
AFIX   0
C9    1    0.236503   -0.551969    0.283079    11.00000    0.02039    0.01515 =
         0.03342    0.00559    0.00678    0.00974
AFIX  43
H9    2    0.230026   -0.651211    0.266878    11.00000   -1.20000
AFIX   0
C10   1    0.230946   -0.508107    0.357334    11.00000    0.02324    0.02559 =
         0.03048    0.01544    0.01017    0.01402
AFIX  43
H10   2    0.223088   -0.575990    0.392277    11.00000   -1.20000
AFIX   0
C11   1    0.236886   -0.364342    0.380765    11.00000    0.02693    0.02727 =
         0.02208    0.00688    0.01104    0.01372
AFIX  43
H11   2    0.232919   -0.334067    0.431773    11.00000   -1.20000
AFIX   0
C12   1    0.248541   -0.265436    0.330045    11.00000    0.01727    0.01498 =
         0.02431    0.00342    0.00698    0.00970
AFIX  43
H12   2    0.250146   -0.168333    0.345981    11.00000   -1.20000
AFIX   0
C13   1    0.721500    0.177288    0.386516    11.00000    0.01965    0.02074 =
         0.01740    0.00041    0.00324    0.01237
C14   1    0.633605    0.049164    0.414899    11.00000    0.02518    0.02071 =
         0.02395    0.00116    0.00026    0.00844
AFIX  43
H14   2    0.523943   -0.014078    0.391333    11.00000   -1.20000
AFIX   0
C15   1    0.706686    0.012921    0.478455    11.00000    0.03629    0.02369 =
         0.02431    0.00458    0.00571    0.01386
AFIX  43
H15   2    0.646404   -0.074205    0.498599    11.00000   -1.20000
AFIX   0
C16   1    0.865019    0.103119    0.511524    11.00000    0.03790    0.03683 =
         0.01913    0.00687    0.00667    0.02617
AFIX  43
H16   2    0.915258    0.076024    0.553466    11.00000   -1.20000
AFIX   0
C17   1    0.952630    0.233433    0.484437    11.00000    0.02133    0.05525 =
         0.02765    0.01258    0.00406    0.01468
AFIX  43
H17   2    1.061899    0.297396    0.508557    11.00000   -1.20000
AFIX   0
C18   1    0.880069    0.270111    0.421922    11.00000    0.02243    0.03482 =
         0.02213    0.01073    0.00544    0.00650
AFIX  43
H18   2    0.939843    0.359774    0.403278    11.00000   -1.20000
AFIX   0
C19   1    0.696334    0.424213    0.317722    11.00000    0.01975    0.02036 =
         0.01941   -0.00042   -0.00129    0.01087
C20   1    0.613743    0.478584    0.359319    11.00000    0.02403    0.02177 =
         0.03317   -0.00019    0.00900    0.00961
AFIX  43
H20   2    0.530720    0.408113    0.378496    11.00000   -1.20000
AFIX   0
C21   1    0.653175    0.635072    0.372466    11.00000    0.02428    0.02394 =
         0.04417   -0.00686    0.00140    0.01323
AFIX  43
H21   2    0.598209    0.672179    0.401437    11.00000   -1.20000
AFIX   0
C22   1    0.770972    0.736810    0.343969    11.00000    0.02910    0.01947 =
         0.03694    0.00119   -0.00799    0.01141
AFIX  43
H22   2    0.796378    0.843942    0.352703    11.00000   -1.20000
AFIX   0
C23   1    0.853235    0.684581    0.302533    11.00000    0.02863    0.02164 =
         0.03228    0.00553    0.00596    0.00767
AFIX  43
H23   2    0.934908    0.755524    0.282817    11.00000   -1.20000
AFIX   0
C24   1    0.815880    0.527957    0.289887    11.00000    0.02440    0.02190 =
         0.02768    0.00230    0.00649    0.00898
AFIX  43
H24   2    0.873004    0.492029    0.261894    11.00000   -1.20000
AFIX   0
C25   1    0.732630    0.180608    0.231149    11.00000    0.01555    0.01643 =
         0.01765    0.00256    0.00182    0.00570
C26   1    0.715716    0.211124    0.155372    11.00000    0.02028    0.01636 =
         0.02063    0.00289    0.00559    0.00485
AFIX  43
H26   2    0.647324    0.250121    0.132297    11.00000   -1.20000
AFIX   0
C27   1    0.819690    0.172577    0.120827    11.00000    0.02596    0.02186 =
         0.01838   -0.00007    0.01194    0.00835
AFIX  43
H27   2    0.834139    0.183095    0.070683    11.00000   -1.20000
AFIX   0
C28   1    0.897838    0.116131    0.173338    11.00000    0.01467    0.02262 =
         0.02653   -0.00559    0.00521    0.00782
AFIX  43
H28   2    0.973219    0.081382    0.164555    11.00000   -1.20000
AFIX   0
C29   1    0.844831    0.120125    0.241194    11.00000    0.02122    0.02225 =
         0.01654   -0.00228    0.00146    0.01127
AFIX  43
H29   2    0.878047    0.088083    0.285923    11.00000   -1.20000
AFIX   0
C30   1    0.445404   -0.147391    0.069882    11.00000    0.01737    0.02293 =
         0.01673   -0.00043   -0.00180    0.00470
AFIX  43
H30   2    0.387915   -0.106252    0.039271    11.00000   -1.20000
AFIX   0
C31   1    0.425653   -0.184166    0.142932    11.00000    0.01637    0.01113 =
         0.02212   -0.00023    0.00464    0.00565
C32   1    0.537844   -0.239112    0.168661    11.00000    0.02416    0.02172 =
         0.03021    0.00803    0.00829    0.01310
AFIX  43
H32   2    0.553600   -0.270303    0.216174    11.00000   -1.20000
AFIX   0
C33   1    0.622140   -0.239353    0.111239    11.00000    0.02689    0.02259 =
         0.03574    0.00136    0.01286    0.01531
AFIX  43
H33   2    0.702552   -0.272026    0.113376    11.00000   -1.20000
AFIX   0
C34   1    0.565095   -0.182454    0.050571    11.00000    0.03040    0.02345 =
         0.02163   -0.00517    0.01269    0.00678
AFIX  43
H34   2    0.600702   -0.169823    0.004729    11.00000   -1.20000
AFIX   0
P1    3    0.279835   -0.172244    0.191041    11.00000    0.01608    0.01281 =
         0.01606    0.00135    0.00332    0.00726
P2    3    0.629225    0.214887    0.299448    11.00000    0.01578    0.01592 =
         0.01503    0.00085    0.00290    0.00723
FE1   4    0.656170   -0.018364    0.149446    11.00000    0.01586    0.01744 =
         0.01676    0.00049    0.00433    0.00835
CO1   5    0.353274    0.087944    0.246512    11.00000    0.01647    0.01397 =
         0.01724    0.00217    0.00374    0.00888
CL1   6    0.344799    0.220738    0.153628    11.00000    0.02785    0.02092 =
         0.02142    0.00710    0.00492    0.01375
CL2   6    0.214366    0.096548    0.331733    11.00000    0.03297    0.02331 =
         0.03058    0.01136    0.01794    0.01899
HKLF    4

REM  01 run in space group P -1
REM R1 =  0.0449 for    3995 Fo > 4sig(Fo)  and  0.0591 for all    5182 data
REM    361 parameters refined using      0 restraints

END

WGHT      0.0801      0.0000

REM Highest difference peak  1.477,  deepest hole -0.797,  1-sigma level  0.156
Q1    1   0.4829  0.1435  0.2744  11.00000  0.05    1.48
Q2    1   0.4488  0.1719  0.2332  11.00000  0.05    1.24
Q3    1   0.7758  0.0400  0.1704  11.00000  0.05    1.16
Q4    1   0.5358 -0.0592  0.1216  11.00000  0.05    1.10
Q5    1   0.3116  0.1607  0.1959  11.00000  0.05    0.94
Q6    1   0.2306  0.0254  0.2423  11.00000  0.05    0.90
Q7    1   0.4496  0.2538  0.1905  11.00000  0.05    0.84
Q8    1   0.6065 -0.0998  0.1757  11.00000  0.05    0.82
Q9    1   0.1687 -0.2267  0.1641  11.00000  0.05    0.77
Q10   1   0.3343  0.0013  0.2863  11.00000  0.05    0.69
Q11   1   0.2225  0.1598  0.1398  11.00000  0.05    0.69
Q12   1   0.2751 -0.2392  0.2294  11.00000  0.05    0.68
Q13   1   0.4276  0.3001  0.1390  11.00000  0.05    0.63
Q14   1   0.0897  0.0350  0.3164  11.00000  0.05    0.60
Q15   1   0.6399  0.1611  0.3491  11.00000  0.05    0.58
Q16   1   0.1393  0.0307  0.3461  11.00000  0.05    0.57
Q17   1   0.6883  0.0538  0.4402  11.00000  0.05    0.53
Q18   1   0.7304  0.2429  0.3461  11.00000  0.05    0.53
Q19   1   0.6983  0.1179  0.4041  11.00000  0.05    0.47
Q20   1   0.3207  0.1614  0.3374  11.00000  0.05    0.45
Q21   1   0.8978  0.1679  0.4893  11.00000  0.05    0.44
Q22   1   0.4028 -0.1246  0.2099  11.00000  0.05    0.44
Q23   1  -0.1271 -0.3322 -0.0113  11.00000  0.05    0.43
Q24   1   0.7856  0.0747  0.4830  11.00000  0.05    0.43
Q25   1   0.0248 -0.3197  0.1298  11.00000  0.05    0.41
;
_shelx_res_checksum              65096
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
C1 C 0.0943(4) -0.2621(4) 0.1160(2) 0.0169(8) Uani 1 1 d . . . . .
C2 C 0.0651(4) -0.1694(4) 0.0678(2) 0.0213(8) Uani 1 1 d . . . . .
H2 H 0.1397 -0.0630 0.0752 0.026 Uiso 1 1 calc R U . . .
C3 C -0.0719(4) -0.2316(5) 0.0096(2) 0.0242(9) Uani 1 1 d . . . . .
H3 H -0.0899 -0.1678 -0.0233 0.029 Uiso 1 1 calc R U . . .
C4 C -0.1831(5) -0.3859(5) -0.0014(2) 0.0250(9) Uani 1 1 d . . . . .
H4 H -0.2770 -0.4283 -0.0416 0.030 Uiso 1 1 calc R U . . .
C5 C -0.1560(5) -0.4774(5) 0.0469(2) 0.0290(9) Uani 1 1 d . . . . .
H5 H -0.2322 -0.5831 0.0401 0.035 Uiso 1 1 calc R U . . .
C6 C -0.0190(4) -0.4164(4) 0.1051(2) 0.0225(8) Uani 1 1 d . . . . .
H6 H -0.0019 -0.4807 0.1379 0.027 Uiso 1 1 calc R U . . .
C7 C 0.2580(4) -0.3075(4) 0.2554(2) 0.0155(7) Uani 1 1 d . . . . .
C8 C 0.2514(4) -0.4529(4) 0.2321(2) 0.0204(8) Uani 1 1 d . . . . .
H8 H 0.2572 -0.4832 0.1814 0.024 Uiso 1 1 calc R U . . .
C9 C 0.2365(4) -0.5520(4) 0.2831(2) 0.0223(8) Uani 1 1 d . . . . .
H9 H 0.2300 -0.6512 0.2669 0.027 Uiso 1 1 calc R U . . .
C10 C 0.2309(4) -0.5081(4) 0.3573(2) 0.0241(9) Uani 1 1 d . . . . .
H10 H 0.2231 -0.5760 0.3923 0.029 Uiso 1 1 calc R U . . .
C11 C 0.2369(5) -0.3643(4) 0.3808(2) 0.0241(9) Uani 1 1 d . . . . .
H11 H 0.2329 -0.3341 0.4318 0.029 Uiso 1 1 calc R U . . .
C12 C 0.2485(4) -0.2654(4) 0.3300(2) 0.0178(8) Uani 1 1 d . . . . .
H12 H 0.2501 -0.1683 0.3460 0.021 Uiso 1 1 calc R U . . .
C13 C 0.7215(4) 0.1773(4) 0.3865(2) 0.0186(8) Uani 1 1 d . . . . .
C14 C 0.6336(5) 0.0492(4) 0.4149(2) 0.0251(9) Uani 1 1 d . . . . .
H14 H 0.5239 -0.0141 0.3913 0.030 Uiso 1 1 calc R U . . .
C15 C 0.7067(5) 0.0129(5) 0.4785(2) 0.0283(9) Uani 1 1 d . . . . .
H15 H 0.6464 -0.0742 0.4986 0.034 Uiso 1 1 calc R U . . .
C16 C 0.8650(5) 0.1031(5) 0.5115(2) 0.0279(9) Uani 1 1 d . . . . .
H16 H 0.9153 0.0760 0.5535 0.033 Uiso 1 1 calc R U . . .
C17 C 0.9526(5) 0.2334(6) 0.4844(2) 0.0357(11) Uani 1 1 d . . . . .
H17 H 1.0619 0.2974 0.5086 0.043 Uiso 1 1 calc R U . . .
C18 C 0.8801(5) 0.2701(5) 0.4219(2) 0.0285(9) Uani 1 1 d . . . . .
H18 H 0.9398 0.3598 0.4033 0.034 Uiso 1 1 calc R U . . .
C19 C 0.6963(4) 0.4242(4) 0.3177(2) 0.0204(8) Uani 1 1 d . . . . .
C20 C 0.6137(5) 0.4786(5) 0.3593(2) 0.0268(9) Uani 1 1 d . . . . .
H20 H 0.5307 0.4081 0.3785 0.032 Uiso 1 1 calc R U . . .
C21 C 0.6532(5) 0.6351(5) 0.3725(2) 0.0321(10) Uani 1 1 d . . . . .
H21 H 0.5982 0.6722 0.4014 0.038 Uiso 1 1 calc R U . . .
C22 C 0.7710(5) 0.7368(5) 0.3440(2) 0.0309(10) Uani 1 1 d . . . . .
H22 H 0.7964 0.8439 0.3527 0.037 Uiso 1 1 calc R U . . .
C23 C 0.8532(5) 0.6846(5) 0.3025(2) 0.0291(9) Uani 1 1 d . . . . .
H23 H 0.9349 0.7555 0.2828 0.035 Uiso 1 1 calc R U . . .
C24 C 0.8159(5) 0.5280(4) 0.2899(2) 0.0255(9) Uani 1 1 d . . . . .
H24 H 0.8730 0.4920 0.2619 0.031 Uiso 1 1 calc R U . . .
C25 C 0.7326(4) 0.1806(4) 0.2311(2) 0.0175(8) Uani 1 1 d . . . . .
C26 C 0.7157(4) 0.2111(4) 0.1554(2) 0.0204(8) Uani 1 1 d . . . . .
H26 H 0.6473 0.2501 0.1323 0.024 Uiso 1 1 calc R U . . .
C27 C 0.8197(4) 0.1726(4) 0.1208(2) 0.0225(8) Uani 1 1 d . . . . .
H27 H 0.8341 0.1831 0.0707 0.027 Uiso 1 1 calc R U . . .
C28 C 0.8978(4) 0.1161(4) 0.1733(2) 0.0224(8) Uani 1 1 d . . . . .
H28 H 0.9732 0.0814 0.1646 0.027 Uiso 1 1 calc R U . . .
C29 C 0.8448(4) 0.1201(4) 0.2412(2) 0.0205(8) Uani 1 1 d . . . . .
H29 H 0.8780 0.0881 0.2859 0.025 Uiso 1 1 calc R U . . .
C30 C 0.4454(4) -0.1474(4) 0.0699(2) 0.0219(8) Uani 1 1 d . . . . .
H30 H 0.3879 -0.1063 0.0393 0.026 Uiso 1 1 calc R U . . .
C31 C 0.4257(4) -0.1842(4) 0.1429(2) 0.0171(8) Uani 1 1 d . . . . .
C32 C 0.5378(5) -0.2391(4) 0.1687(2) 0.0239(9) Uani 1 1 d . . . . .
H32 H 0.5536 -0.2703 0.2162 0.029 Uiso 1 1 calc R U . . .
C33 C 0.6221(5) -0.2394(4) 0.1112(2) 0.0266(9) Uani 1 1 d . . . . .
H33 H 0.7026 -0.2720 0.1134 0.032 Uiso 1 1 calc R U . . .
C34 C 0.5651(5) -0.1825(4) 0.0506(2) 0.0271(9) Uani 1 1 d . . . . .
H34 H 0.6007 -0.1698 0.0047 0.033 Uiso 1 1 calc R U . . .
P1 P 0.27984(11) -0.17224(10) 0.19104(5) 0.0150(2) Uani 1 1 d . . . . .
P2 P 0.62922(11) 0.21489(11) 0.29945(5) 0.0159(2) Uani 1 1 d . . . . .
Fe1 Fe 0.65617(6) -0.01836(6) 0.14945(3) 0.01662(16) Uani 1 1 d . . . . .
Co1 Co 0.35327(5) 0.08794(5) 0.24651(3) 0.01532(15) Uani 1 1 d . . . . .
Cl1 Cl 0.34480(11) 0.22074(10) 0.15363(5) 0.0224(2) Uani 1 1 d . . . . .
Cl2 Cl 0.21437(11) 0.09655(11) 0.33173(5) 0.0248(2) Uani 1 1 d . . . . .
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0157(18) 0.0190(19) 0.0161(18) 0.0005(15) 0.0039(15) 0.0088(16)
C2 0.020(2) 0.0189(19) 0.023(2) 0.0006(16) 0.0035(17) 0.0095(16)
C3 0.024(2) 0.030(2) 0.023(2) 0.0081(18) 0.0049(18) 0.0157(19)
C4 0.020(2) 0.036(2) 0.0182(19) -0.0001(18) 0.0018(17) 0.0145(19)
C5 0.023(2) 0.024(2) 0.032(2) 0.0024(19) 0.0036(19) 0.0056(18)
C6 0.023(2) 0.019(2) 0.024(2) 0.0043(17) 0.0032(17) 0.0095(17)
C7 0.0127(18) 0.0123(17) 0.0236(19) 0.0031(15) 0.0063(15) 0.0070(15)
C8 0.022(2) 0.0190(19) 0.0212(19) 0.0032(16) 0.0071(16) 0.0102(17)
C9 0.020(2) 0.0151(19) 0.033(2) 0.0056(17) 0.0068(18) 0.0097(16)
C10 0.023(2) 0.026(2) 0.030(2) 0.0154(18) 0.0102(18) 0.0140(18)
C11 0.027(2) 0.027(2) 0.022(2) 0.0069(17) 0.0110(18) 0.0137(18)
C12 0.0173(19) 0.0150(18) 0.024(2) 0.0034(16) 0.0070(16) 0.0097(15)
C13 0.020(2) 0.021(2) 0.0174(18) 0.0004(16) 0.0032(16) 0.0124(17)
C14 0.025(2) 0.021(2) 0.024(2) 0.0012(17) 0.0003(17) 0.0084(18)
C15 0.036(3) 0.024(2) 0.024(2) 0.0046(18) 0.0057(19) 0.014(2)
C16 0.038(3) 0.037(2) 0.019(2) 0.0069(19) 0.0067(19) 0.026(2)
C17 0.021(2) 0.055(3) 0.028(2) 0.013(2) 0.0041(19) 0.015(2)
C18 0.022(2) 0.035(2) 0.022(2) 0.0107(18) 0.0054(18) 0.0065(19)
C19 0.020(2) 0.0204(19) 0.0194(19) -0.0004(16) -0.0013(16) 0.0109(17)
C20 0.024(2) 0.022(2) 0.033(2) -0.0002(18) 0.0090(19) 0.0096(18)
C21 0.024(2) 0.024(2) 0.044(3) -0.007(2) 0.001(2) 0.0132(19)
C22 0.029(2) 0.019(2) 0.037(2) 0.0012(19) -0.008(2) 0.0114(19)
C23 0.029(2) 0.022(2) 0.032(2) 0.0055(19) 0.0060(19) 0.0077(19)
C24 0.024(2) 0.022(2) 0.028(2) 0.0023(18) 0.0065(18) 0.0090(18)
C25 0.0155(18) 0.0164(19) 0.0176(18) 0.0026(15) 0.0018(15) 0.0057(15)
C26 0.020(2) 0.0164(19) 0.0206(19) 0.0029(16) 0.0056(16) 0.0049(16)
C27 0.026(2) 0.022(2) 0.0184(19) -0.0001(16) 0.0119(17) 0.0083(17)
C28 0.0147(19) 0.023(2) 0.027(2) -0.0056(17) 0.0052(17) 0.0078(16)
C29 0.021(2) 0.022(2) 0.0165(18) -0.0023(16) 0.0015(16) 0.0113(17)
C30 0.017(2) 0.023(2) 0.0167(19) -0.0004(16) -0.0018(16) 0.0047(17)
C31 0.0164(19) 0.0111(17) 0.0221(19) -0.0002(15) 0.0046(16) 0.0057(15)
C32 0.024(2) 0.022(2) 0.030(2) 0.0080(17) 0.0083(18) 0.0131(17)
C33 0.027(2) 0.023(2) 0.036(2) 0.0014(18) 0.0129(19) 0.0153(18)
C34 0.030(2) 0.023(2) 0.022(2) -0.0052(17) 0.0127(18) 0.0068(18)
P1 0.0161(5) 0.0128(5) 0.0161(5) 0.0014(4) 0.0033(4) 0.0073(4)
P2 0.0158(5) 0.0159(5) 0.0150(5) 0.0009(4) 0.0029(4) 0.0072(4)
Fe1 0.0159(3) 0.0174(3) 0.0168(3) 0.0005(2) 0.0043(2) 0.0083(2)
Co1 0.0165(3) 0.0140(3) 0.0172(3) 0.0022(2) 0.0037(2) 0.0089(2)
Cl1 0.0279(5) 0.0209(5) 0.0214(5) 0.0071(4) 0.0049(4) 0.0137(4)
Cl2 0.0330(5) 0.0233(5) 0.0306(5) 0.0114(4) 0.0179(4) 0.0190(4)
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 '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'
Cl Cl 0.1484 0.1585 '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
C6 C1 C2 118.5(3) . . ?
C6 C1 P1 123.7(3) . . ?
C2 C1 P1 117.8(3) . . ?
C3 C2 C1 120.4(3) . . ?
C3 C2 H2 119.8 . . ?
C1 C2 H2 119.8 . . ?
C2 C3 C4 120.7(3) . . ?
C2 C3 H3 119.7 . . ?
C4 C3 H3 119.7 . . ?
C5 C4 C3 119.2(4) . . ?
C5 C4 H4 120.4 . . ?
C3 C4 H4 120.4 . . ?
C4 C5 C6 120.5(4) . . ?
C4 C5 H5 119.7 . . ?
C6 C5 H5 119.7 . . ?
C5 C6 C1 120.7(3) . . ?
C5 C6 H6 119.6 . . ?
C1 C6 H6 119.6 . . ?
C12 C7 C8 119.2(3) . . ?
C12 C7 P1 119.3(3) . . ?
C8 C7 P1 121.5(3) . . ?
C9 C8 C7 119.8(3) . . ?
C9 C8 H8 120.1 . . ?
C7 C8 H8 120.1 . . ?
C10 C9 C8 120.7(3) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 119.8(3) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C12 C11 C10 120.1(3) . . ?
C12 C11 H11 119.9 . . ?
C10 C11 H11 119.9 . . ?
C11 C12 C7 120.3(3) . . ?
C11 C12 H12 119.8 . . ?
C7 C12 H12 119.8 . . ?
C18 C13 C14 119.7(3) . . ?
C18 C13 P2 120.8(3) . . ?
C14 C13 P2 119.4(3) . . ?
C13 C14 C15 119.8(4) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 119.9(4) . . ?
C16 C15 H15 120.1 . . ?
C14 C15 H15 120.1 . . ?
C15 C16 C17 120.6(4) . . ?
C15 C16 H16 119.7 . . ?
C17 C16 H16 119.7 . . ?
C16 C17 C18 119.6(4) . . ?
C16 C17 H17 120.2 . . ?
C18 C17 H17 120.2 . . ?
C13 C18 C17 120.4(4) . . ?
C13 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C24 C19 C20 119.3(3) . . ?
C24 C19 P2 124.0(3) . . ?
C20 C19 P2 116.6(3) . . ?
C21 C20 C19 119.9(4) . . ?
C21 C20 H20 120.1 . . ?
C19 C20 H20 120.1 . . ?
C22 C21 C20 120.4(4) . . ?
C22 C21 H21 119.8 . . ?
C20 C21 H21 119.8 . . ?
C21 C22 C23 120.4(4) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C22 C23 C24 119.7(4) . . ?
C22 C23 H23 120.2 . . ?
C24 C23 H23 120.2 . . ?
C19 C24 C23 120.4(4) . . ?
C19 C24 H24 119.8 . . ?
C23 C24 H24 119.8 . . ?
C29 C25 C26 107.3(3) . . ?
C29 C25 P2 127.8(3) . . ?
C26 C25 P2 124.9(3) . . ?
C29 C25 Fe1 69.5(2) . . ?
C26 C25 Fe1 68.6(2) . . ?
P2 C25 Fe1 127.24(19) . . ?
C27 C26 C25 107.6(3) . . ?
C27 C26 Fe1 69.7(2) . . ?
C25 C26 Fe1 70.6(2) . . ?
C27 C26 H26 126.2 . . ?
C25 C26 H26 126.2 . . ?
Fe1 C26 H26 125.0 . . ?
C28 C27 C26 108.6(3) . . ?
C28 C27 Fe1 70.4(2) . . ?
C26 C27 Fe1 69.5(2) . . ?
C28 C27 H27 125.7 . . ?
C26 C27 H27 125.7 . . ?
Fe1 C27 H27 126.0 . . ?
C27 C28 C29 108.2(3) . . ?
C27 C28 Fe1 69.4(2) . . ?
C29 C28 Fe1 70.2(2) . . ?
C27 C28 H28 125.9 . . ?
C29 C28 H28 125.9 . . ?
Fe1 C28 H28 126.1 . . ?
C28 C29 C25 108.3(3) . . ?
C28 C29 Fe1 69.7(2) . . ?
C25 C29 Fe1 69.9(2) . . ?
C28 C29 H29 125.9 . . ?
C25 C29 H29 125.9 . . ?
Fe1 C29 H29 126.1 . . ?
C34 C30 C31 108.7(3) . . ?
C34 C30 Fe1 69.6(2) . . ?
C31 C30 Fe1 71.1(2) . . ?
C34 C30 H30 125.7 . . ?
C31 C30 H30 125.7 . . ?
Fe1 C30 H30 125.2 . . ?
C30 C31 C32 106.7(3) . . ?
C30 C31 P1 126.4(3) . . ?
C32 C31 P1 126.8(3) . . ?
C30 C31 Fe1 68.4(2) . . ?
C32 C31 Fe1 68.9(2) . . ?
P1 C31 Fe1 129.85(19) . . ?
C33 C32 C31 108.6(3) . . ?
C33 C32 Fe1 69.6(2) . . ?
C31 C32 Fe1 70.7(2) . . ?
C33 C32 H32 125.7 . . ?
C31 C32 H32 125.7 . . ?
Fe1 C32 H32 125.6 . . ?
C34 C33 C32 107.9(3) . . ?
C34 C33 Fe1 69.4(2) . . ?
C32 C33 Fe1 69.8(2) . . ?
C34 C33 H33 126.1 . . ?
C32 C33 H33 126.1 . . ?
Fe1 C33 H33 126.2 . . ?
C33 C34 C30 108.2(3) . . ?
C33 C34 Fe1 70.2(2) . . ?
C30 C34 Fe1 69.8(2) . . ?
C33 C34 H34 125.9 . . ?
C30 C34 H34 125.9 . . ?
Fe1 C34 H34 125.7 . . ?
C31 P1 C7 103.96(16) . . ?
C31 P1 C1 104.27(16) . . ?
C7 P1 C1 105.92(16) . . ?
C31 P1 Co1 111.32(11) . . ?
C7 P1 Co1 117.17(12) . . ?
C1 P1 Co1 113.05(11) . . ?
C25 P2 C13 102.88(16) . . ?
C25 P2 C19 105.22(17) . . ?
C13 P2 C19 105.36(17) . . ?
C25 P2 Co1 110.62(12) . . ?
C13 P2 Co1 122.73(13) . . ?
C19 P2 Co1 108.63(12) . . ?
C26 Fe1 C34 125.05(15) . . ?
C26 Fe1 C27 40.77(14) . . ?
C34 Fe1 C27 103.41(15) . . ?
C26 Fe1 C30 108.61(15) . . ?
C34 Fe1 C30 40.66(16) . . ?
C27 Fe1 C30 116.83(15) . . ?
C26 Fe1 C33 161.11(15) . . ?
C34 Fe1 C33 40.37(16) . . ?
C27 Fe1 C33 122.67(15) . . ?
C30 Fe1 C33 68.09(16) . . ?
C26 Fe1 C28 68.35(15) . . ?
C34 Fe1 C28 114.01(15) . . ?
C27 Fe1 C28 40.26(15) . . ?
C30 Fe1 C28 148.90(15) . . ?
C33 Fe1 C28 104.37(15) . . ?
C26 Fe1 C32 157.19(15) . . ?
C34 Fe1 C32 68.07(16) . . ?
C27 Fe1 C32 161.69(15) . . ?
C30 Fe1 C32 67.98(15) . . ?
C33 Fe1 C32 40.58(15) . . ?
C28 Fe1 C32 126.73(15) . . ?
C26 Fe1 C29 68.39(15) . . ?
C34 Fe1 C29 149.09(15) . . ?
C27 Fe1 C29 67.70(15) . . ?
C30 Fe1 C29 169.90(15) . . ?
C33 Fe1 C29 118.00(16) . . ?
C28 Fe1 C29 40.11(15) . . ?
C32 Fe1 C29 110.78(16) . . ?
C26 Fe1 C25 40.78(14) . . ?
C34 Fe1 C25 165.22(15) . . ?
C27 Fe1 C25 68.12(14) . . ?
C30 Fe1 C25 131.05(15) . . ?
C33 Fe1 C25 154.41(15) . . ?
C28 Fe1 C25 67.96(14) . . ?
C32 Fe1 C25 123.51(15) . . ?
C29 Fe1 C25 40.54(14) . . ?
C26 Fe1 C31 122.24(14) . . ?
C34 Fe1 C31 68.28(15) . . ?
C27 Fe1 C31 153.32(15) . . ?
C30 Fe1 C31 40.51(14) . . ?
C33 Fe1 C31 68.21(14) . . ?
C28 Fe1 C31 166.41(14) . . ?
C32 Fe1 C31 40.42(14) . . ?
C29 Fe1 C31 132.15(14) . . ?
C25 Fe1 C31 113.53(14) . . ?
Cl2 Co1 Cl1 116.14(4) . . ?
Cl2 Co1 P2 113.03(4) . . ?
Cl1 Co1 P2 98.59(4) . . ?
Cl2 Co1 P1 110.74(4) . . ?
Cl1 Co1 P1 109.39(4) . . ?
P2 Co1 P1 108.17(4) . . ?
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
C1 C6 1.391(5) . ?
C1 C2 1.397(5) . ?
C1 P1 1.832(4) . ?
C2 C3 1.382(5) . ?
C2 H2 0.9500 . ?
C3 C4 1.385(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.381(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.382(5) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.398(5) . ?
C7 C8 1.402(5) . ?
C7 P1 1.816(3) . ?
C8 C9 1.384(5) . ?
C8 H8 0.9500 . ?
C9 C10 1.382(5) . ?
C9 H9 0.9500 . ?
C10 C11 1.390(5) . ?
C10 H10 0.9500 . ?
C11 C12 1.381(5) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C18 1.380(5) . ?
C13 C14 1.382(5) . ?
C13 P2 1.821(4) . ?
C14 C15 1.399(5) . ?
C14 H14 0.9500 . ?
C15 C16 1.367(6) . ?
C15 H15 0.9500 . ?
C16 C17 1.383(6) . ?
C16 H16 0.9500 . ?
C17 C18 1.385(5) . ?
C17 H17 0.9500 . ?
C18 H18 0.9500 . ?
C19 C24 1.379(5) . ?
C19 C20 1.399(5) . ?
C19 P2 1.823(4) . ?
C20 C21 1.382(6) . ?
C20 H20 0.9500 . ?
C21 C22 1.369(6) . ?
C21 H21 0.9500 . ?
C22 C23 1.383(6) . ?
C22 H22 0.9500 . ?
C23 C24 1.388(5) . ?
C23 H23 0.9500 . ?
C24 H24 0.9500 . ?
C25 C29 1.428(5) . ?
C25 C26 1.429(5) . ?
C25 P2 1.801(4) . ?
C25 Fe1 2.064(4) . ?
C26 C27 1.420(5) . ?
C26 Fe1 2.037(4) . ?
C26 H26 0.9500 . ?
C27 C28 1.409(5) . ?
C27 Fe1 2.040(4) . ?
C27 H27 0.9500 . ?
C28 C29 1.410(5) . ?
C28 Fe1 2.053(4) . ?
C28 H28 0.9500 . ?
C29 Fe1 2.059(4) . ?
C29 H29 0.9500 . ?
C30 C34 1.418(5) . ?
C30 C31 1.427(5) . ?
C30 Fe1 2.042(4) . ?
C30 H30 0.9500 . ?
C31 C32 1.428(5) . ?
C31 P1 1.809(4) . ?
C31 Fe1 2.079(4) . ?
C32 C33 1.423(5) . ?
C32 Fe1 2.054(4) . ?
C32 H32 0.9500 . ?
C33 C34 1.411(6) . ?
C33 Fe1 2.050(4) . ?
C33 H33 0.9500 . ?
C34 Fe1 2.040(4) . ?
C34 H34 0.9500 . ?
P1 Co1 2.3632(10) . ?
P2 Co1 2.3517(10) . ?
Co1 Cl2 2.2229(10) . ?
Co1 Cl1 2.2353(9) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C6 C1 C2 C3 -1.5(5) . . . . ?
P1 C1 C2 C3 179.1(3) . . . . ?
C1 C2 C3 C4 0.8(6) . . . . ?
C2 C3 C4 C5 0.2(6) . . . . ?
C3 C4 C5 C6 -0.6(6) . . . . ?
C4 C5 C6 C1 -0.1(6) . . . . ?
C2 C1 C6 C5 1.2(5) . . . . ?
P1 C1 C6 C5 -179.5(3) . . . . ?
C12 C7 C8 C9 -0.3(5) . . . . ?
P1 C7 C8 C9 179.3(3) . . . . ?
C7 C8 C9 C10 -1.2(5) . . . . ?
C8 C9 C10 C11 1.4(6) . . . . ?
C9 C10 C11 C12 -0.1(6) . . . . ?
C10 C11 C12 C7 -1.4(5) . . . . ?
C8 C7 C12 C11 1.6(5) . . . . ?
P1 C7 C12 C11 -178.0(3) . . . . ?
C18 C13 C14 C15 -1.1(6) . . . . ?
P2 C13 C14 C15 175.3(3) . . . . ?
C13 C14 C15 C16 -0.9(6) . . . . ?
C14 C15 C16 C17 2.4(6) . . . . ?
C15 C16 C17 C18 -1.8(6) . . . . ?
C14 C13 C18 C17 1.7(6) . . . . ?
P2 C13 C18 C17 -174.7(3) . . . . ?
C16 C17 C18 C13 -0.2(6) . . . . ?
C24 C19 C20 C21 -0.4(6) . . . . ?
P2 C19 C20 C21 -177.1(3) . . . . ?
C19 C20 C21 C22 1.0(6) . . . . ?
C20 C21 C22 C23 -0.8(6) . . . . ?
C21 C22 C23 C24 0.0(6) . . . . ?
C20 C19 C24 C23 -0.4(6) . . . . ?
P2 C19 C24 C23 176.0(3) . . . . ?
C22 C23 C24 C19 0.7(6) . . . . ?
C29 C25 C26 C27 -1.3(4) . . . . ?
P2 C25 C26 C27 178.5(3) . . . . ?
Fe1 C25 C26 C27 -60.3(2) . . . . ?
C29 C25 C26 Fe1 59.0(2) . . . . ?
P2 C25 C26 Fe1 -121.3(3) . . . . ?
C25 C26 C27 C28 1.1(4) . . . . ?
Fe1 C26 C27 C28 -59.7(3) . . . . ?
C25 C26 C27 Fe1 60.8(2) . . . . ?
C26 C27 C28 C29 -0.5(4) . . . . ?
Fe1 C27 C28 C29 -59.7(3) . . . . ?
C26 C27 C28 Fe1 59.2(3) . . . . ?
C27 C28 C29 C25 -0.3(4) . . . . ?
Fe1 C28 C29 C25 -59.5(3) . . . . ?
C27 C28 C29 Fe1 59.2(3) . . . . ?
C26 C25 C29 C28 1.0(4) . . . . ?
P2 C25 C29 C28 -178.8(3) . . . . ?
Fe1 C25 C29 C28 59.3(3) . . . . ?
C26 C25 C29 Fe1 -58.4(2) . . . . ?
P2 C25 C29 Fe1 121.9(3) . . . . ?
C34 C30 C31 C32 1.2(4) . . . . ?
Fe1 C30 C31 C32 -58.4(3) . . . . ?
C34 C30 C31 P1 -176.0(3) . . . . ?
Fe1 C30 C31 P1 124.3(3) . . . . ?
C34 C30 C31 Fe1 59.7(3) . . . . ?
C30 C31 C32 C33 -1.4(4) . . . . ?
P1 C31 C32 C33 175.9(3) . . . . ?
Fe1 C31 C32 C33 -59.5(3) . . . . ?
C30 C31 C32 Fe1 58.1(2) . . . . ?
P1 C31 C32 Fe1 -124.7(3) . . . . ?
C31 C32 C33 C34 1.0(4) . . . . ?
Fe1 C32 C33 C34 -59.2(3) . . . . ?
C31 C32 C33 Fe1 60.2(3) . . . . ?
C32 C33 C34 C30 -0.2(4) . . . . ?
Fe1 C33 C34 C30 -59.7(3) . . . . ?
C32 C33 C34 Fe1 59.5(3) . . . . ?
C31 C30 C34 C33 -0.7(4) . . . . ?
Fe1 C30 C34 C33 60.0(3) . . . . ?
C31 C30 C34 Fe1 -60.6(3) . . . . ?
C30 C31 P1 C7 156.1(3) . . . . ?
C32 C31 P1 C7 -20.6(4) . . . . ?
Fe1 C31 P1 C7 -112.8(2) . . . . ?
C30 C31 P1 C1 45.3(3) . . . . ?
C32 C31 P1 C1 -131.4(3) . . . . ?
Fe1 C31 P1 C1 136.4(2) . . . . ?
C30 C31 P1 Co1 -76.9(3) . . . . ?
C32 C31 P1 Co1 106.4(3) . . . . ?
Fe1 C31 P1 Co1 14.2(3) . . . . ?
C12 C7 P1 C31 137.8(3) . . . . ?
C8 C7 P1 C31 -41.7(3) . . . . ?
C12 C7 P1 C1 -112.6(3) . . . . ?
C8 C7 P1 C1 67.8(3) . . . . ?
C12 C7 P1 Co1 14.6(3) . . . . ?
C8 C7 P1 Co1 -165.0(2) . . . . ?
C6 C1 P1 C31 96.9(3) . . . . ?
C2 C1 P1 C31 -83.8(3) . . . . ?
C6 C1 P1 C7 -12.4(4) . . . . ?
C2 C1 P1 C7 166.9(3) . . . . ?
C6 C1 P1 Co1 -142.0(3) . . . . ?
C2 C1 P1 Co1 37.3(3) . . . . ?
C29 C25 P2 C13 6.9(4) . . . . ?
C26 C25 P2 C13 -172.8(3) . . . . ?
Fe1 C25 P2 C13 98.9(2) . . . . ?
C29 C25 P2 C19 117.0(3) . . . . ?
C26 C25 P2 C19 -62.7(3) . . . . ?
Fe1 C25 P2 C19 -151.0(2) . . . . ?
C29 C25 P2 Co1 -125.8(3) . . . . ?
C26 C25 P2 Co1 54.4(3) . . . . ?
Fe1 C25 P2 Co1 -33.9(2) . . . . ?
C18 C13 P2 C25 64.5(3) . . . . ?
C14 C13 P2 C25 -111.9(3) . . . . ?
C18 C13 P2 C19 -45.5(4) . . . . ?
C14 C13 P2 C19 138.1(3) . . . . ?
C18 C13 P2 Co1 -170.3(3) . . . . ?
C14 C13 P2 Co1 13.3(4) . . . . ?
C24 C19 P2 C25 -6.9(4) . . . . ?
C20 C19 P2 C25 169.6(3) . . . . ?
C24 C19 P2 C13 101.4(3) . . . . ?
C20 C19 P2 C13 -82.0(3) . . . . ?
C24 C19 P2 Co1 -125.4(3) . . . . ?
C20 C19 P2 Co1 51.1(3) . . . . ?