#------------------------------------------------------------------------------
#$Date: 2022-06-24 02:09:01 +0300 (Fri, 24 Jun 2022) $
#$Revision: 276207 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/05/7710553.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_7710553
loop_
_publ_author_name
'Parsutkar, Mahesh M.'
'Moore, Curtis E.'
'RajanBabu, T. V.'
_publ_section_title
;
 Activator-free single-component Co(i)-catalysts for regio- and
 enantioselective heterodimerization and hydroacylation reactions of
 1,3-dienes. New reduction procedures for synthesis of [L]Co(i)-complexes
 and comparison to in situ generated catalysts
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT01484J
_journal_year                    2022
_chemical_absolute_configuration ad
_chemical_formula_moiety         'C24 H28 Co D6 N2 P2, C32 H12 B F24'
_chemical_formula_sum            'C56 H40 B Co D6 F24 N2 P2'
_chemical_formula_weight         1340.66
_space_group_crystal_system      triclinic
_space_group_IT_number           1
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_date             2020-07-13
_audit_creation_method
;
Olex2 1.3-alpha
(compiled 2020.06.28 svn.raecde09e for OlexSys, GUI svn.r6132)
;
_audit_update_record
;
2020-07-13 deposited with the CCDC.	2022-06-13 downloaded from the CCDC.
;
_cell_angle_alpha                106.052(2)
_cell_angle_beta                 102.166(2)
_cell_angle_gamma                111.9630(10)
_cell_formula_units_Z            2
_cell_length_a                   13.7516(7)
_cell_length_b                   14.4882(7)
_cell_length_c                   17.3962(9)
_cell_measurement_reflns_used    9716
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      26.348
_cell_measurement_theta_min      2.933
_cell_volume                     2890.8(3)
_computing_cell_refinement       'SAINT V8.38A (Bruker, 2017)'
_computing_data_collection       'APEX3 v2019.1-0 (Bruker, 2019)'
_computing_data_reduction        'SAINT V8.38A (Bruker, 2017)'
_computing_molecular_graphics    'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3-alpha (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker Photon II area detector'
_diffrn_detector_area_resol_mean 10.5
_diffrn_detector_type            'CMOS area detector'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device       'Kappa Four-Circle Diffractometer'
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'Curved-Graphite, Bruker TRIUMPH'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_xray_symbol    K-L~3~
_diffrn_reflns_av_R_equivalents  0.0381
_diffrn_reflns_av_unetI/netI     0.0363
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.995
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            124192
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.992
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         26.433
_diffrn_reflns_theta_min         2.915
_diffrn_source                   'sealed tube'
_diffrn_source_current           30.0
_diffrn_source_power             1.5
_diffrn_source_type              fine-focus
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.469
_exptl_absorpt_correction_T_max  0.0932
_exptl_absorpt_correction_T_min  0.0678
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0632 before and 0.0606 after correction.
The Ratio of minimum to maximum transmission is 0.7275.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            Purple
_exptl_crystal_colour_primary    Purple
_exptl_crystal_density_diffrn    1.540
_exptl_crystal_description       Block
_exptl_crystal_F_000             1348
_exptl_crystal_size_max          0.315
_exptl_crystal_size_mid          0.228
_exptl_crystal_size_min          0.154
_refine_diff_density_max         0.469
_refine_diff_density_min         -0.291
_refine_diff_density_rms         0.043
_refine_ls_abs_structure_details
;
 Flack x determined using 9458 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.005(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1662
_refine_ls_number_reflns         23621
_refine_ls_number_restraints     156
_refine_ls_restrained_S_all      1.034
_refine_ls_R_factor_all          0.0419
_refine_ls_R_factor_gt           0.0333
_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)+(0.0319P)²+1.1261P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0722
_refine_ls_wR_factor_ref         0.0763
_reflns_Friedel_coverage         0.995
_reflns_Friedel_fraction_full    0.998
_reflns_Friedel_fraction_max     0.990
_reflns_number_gt                21042
_reflns_number_total             23621
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt01484j2.cif
_cod_data_source_block           RBabu_MP-05-156
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 7556 2019-12-06 15:28:31Z antanas 
;
_cod_database_code               7710553
_shelx_shelxl_version_number     2018/3
_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_max   0.931
_shelx_estimated_absorpt_t_min   0.866
_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. Restrained distances
 F6B-C32' = F5C-C32' = F6'-C32' = F5B-C32' = F4'-C32' = F5D-C32' = F4B-C32' =
 F5'-C32'
 1.3 with sigma of 0.02
 F6B-F4B
 2.1 with sigma of 0.02
 F4'-F5'
 2.1 with sigma of 0.02
 F6B-F5B
 2.1 with sigma of 0.02
 F6'-F4'
 2.1 with sigma of 0.02
 F6'-F5'
 2.1 with sigma of 0.02
 F4B-F5B
 2.1 with sigma of 0.02
 F3-C31 = F3A-C31 = F2-C31 = F2A-C31 = F1-C31 = F1A-C31
 1.3 with sigma of 0.02
 F3A-F2A
 2.1 with sigma of 0.02
 F1A-F2A
 2.1 with sigma of 0.02
 F3-F1
 2.1 with sigma of 0.02
 F2-F3
 2.1 with sigma of 0.02
 F2-F1
 2.1 with sigma of 0.02
 F1A-F3A
 2.1 with sigma of 0.02
 F14A-F15A
 2.1 with sigma of 0.02
 F15-F14
 2.1 with sigma of 0.02
 F15A-C47 = F15-C47 = F13A-C47 = F13-C47 = F14-C47 = F14A-C47
 1.3 with sigma of 0.02
 F13A-F14A
 2.1 with sigma of 0.02
 F15A-F13A
 2.1 with sigma of 0.02
 F15-F13
 2.1 with sigma of 0.02
 F14-F13
 2.1 with sigma of 0.02
3. Uiso/Uaniso restraints and constraints
Uanis(F5C) = Uanis(F5D)
Uanis(F5B) = Uanis(F5')
4. Rigid body (RIGU) restrains
 F4', F5', F6', F4B, F5B, F6B, F5D, F5C, C32'
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 F1, F2, F3, C31, F3A, F1A, F2A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
 F13, F14, F15, C47, F14A, F15A, F13A
 with sigma for 1-2 distances of 0.001 and sigma for 1-3 distances of 0.001
5. Others
 1*[Sof(F6B)]+1*[Sof(F5')]+1*[Sof(F4')]+1*[Sof(F5C)]+1*[Sof(F4B)]+1*[Sof(F6')]+
 1*[Sof(F5B)]+1*[Sof(F5D)]=3 with esd of 0
 Sof(F3A)=Sof(F1A)=Sof(F2A)=1-FVAR(9)
 Sof(F1)=Sof(F2)=Sof(F3)=FVAR(9)
 Sof(F14A)=Sof(F15A)=Sof(F13A)=1-FVAR(10)
 Sof(F13)=Sof(F14)=Sof(F15)=FVAR(10)
6.a Aromatic/amide H refined with riding coordinates:
 C1(D1), C2(D2), C3(D3), C4(D4), C5(D5), C6(D6), C21(H21), C22(H22), C23(H23),
 C24(H24), C1'(D1'), C2'(D2'), C3'(D3'), C4'(D4'), C5'(D5'), C6'(D6'),
 C21'(H21'), C22'(H22'), C23'(H23'), C24'(H24'), C26(H26), C28(H28), C30(H30),
 C34(H34), C36(H36), C38(H38), C42(H42), C44(H44), C46(H46), C50(H50), C52(H52),
  C54(H54), C26'(H26'), C28'(H28'), C30'(H30'), C34'(H34'), C36'(H36'),
 C38'(H38'), C42'(H42'), C44'(H44'), C46'(H46'), C50'(H50'), C52'(H52'),
 C54'(H54')
6.b Idealised Me refined as rotating group:
 C9(H9A,H9B,H9C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C13(H13A,H13B,
 H13C), C14(H14A,H14B,H14C), C16(H16A,H16B,H16C), C17(H17A,H17B,H17C), C18(H18A,
 H18B,H18C), C9'(H9'A,H9'B,H9'C), C11'(H11D,H11E,H11F), C12'(H12D,H12E,H12F),
 C13'(H13D,H13E,H13F), C14'(H14D,H14E,H14F), C16'(H16D,H16E,H16F), C17'(H17D,
 H17E,H17F), C18'(H18D,H18E,H18F)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'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 0.17886(4) 0.71410(4) 0.33708(3) 0.02618(11) Uani 1 1 d . . . . .
P1 P 0.16266(8) 0.73736(7) 0.21794(6) 0.02417(19) Uani 1 1 d . . . . .
P2 P 0.01504(8) 0.70539(7) 0.32630(6) 0.0241(2) Uani 1 1 d . . . . .
N1 N 0.0038(3) 0.7634(3) 0.1122(2) 0.0275(7) Uani 1 1 d . . . . .
N2 N -0.1415(2) 0.7150(2) 0.20418(19) 0.0245(6) Uani 1 1 d . . . . .
C1 C 0.3530(4) 0.8097(4) 0.4123(3) 0.0417(11) Uani 1 1 d . . . . .
D1 D 0.406577 0.877854 0.417635 0.050 Uiso 1 1 calc R U . . .
C2 C 0.3340(3) 0.7142(3) 0.3494(3) 0.0354(9) Uani 1 1 d . . . . .
D2 D 0.374780 0.718670 0.311599 0.042 Uiso 1 1 calc R U . . .
C3 C 0.2563(3) 0.6113(4) 0.3401(3) 0.0371(9) Uani 1 1 d . . . . .
D3 D 0.246337 0.547479 0.297731 0.045 Uiso 1 1 calc R U . . .
C4 C 0.1949(4) 0.6049(4) 0.3940(3) 0.0414(10) Uani 1 1 d . . . . .
D4 D 0.141833 0.536356 0.388384 0.050 Uiso 1 1 calc R U . . .
C5 C 0.2112(4) 0.7003(4) 0.4571(3) 0.0440(11) Uani 1 1 d . . . . .
D5 D 0.167950 0.695524 0.493134 0.053 Uiso 1 1 calc R U . . .
C6 C 0.2916(4) 0.8036(4) 0.4674(3) 0.0463(12) Uani 1 1 d . . . . .
D6 D 0.303664 0.867427 0.510952 0.056 Uiso 1 1 calc R U . . .
C7 C 0.0318(3) 0.7438(3) 0.1811(2) 0.0242(7) Uani 1 1 d . . . . .
C8 C -0.0409(3) 0.7203(3) 0.2278(2) 0.0232(7) Uani 1 1 d . . . . .
C9 C 0.2687(3) 0.8658(3) 0.2272(3) 0.0364(9) Uani 1 1 d . . . . .
H9A H 0.274946 0.924856 0.275335 0.055 Uiso 1 1 calc R U . . .
H9B H 0.247166 0.876819 0.174303 0.055 Uiso 1 1 calc R U . . .
H9C H 0.341067 0.864765 0.236771 0.055 Uiso 1 1 calc R U . . .
C10 C 0.1534(3) 0.6328(3) 0.1205(3) 0.0347(9) Uani 1 1 d . . . . .
C11 C 0.1527(5) 0.6712(5) 0.0456(3) 0.0537(13) Uani 1 1 d . . . . .
H11A H 0.148151 0.615152 -0.004037 0.081 Uiso 1 1 calc R U . . .
H11B H 0.221733 0.738056 0.063000 0.081 Uiso 1 1 calc R U . . .
H11C H 0.087867 0.684537 0.030673 0.081 Uiso 1 1 calc R U . . .
C12 C 0.2549(4) 0.6108(4) 0.1390(3) 0.0391(10) Uani 1 1 d . . . . .
H12A H 0.251433 0.560540 0.086326 0.059 Uiso 1 1 calc R U . . .
H12B H 0.254131 0.578997 0.181957 0.059 Uiso 1 1 calc R U . . .
H12C H 0.323970 0.678952 0.160721 0.059 Uiso 1 1 calc R U . . .
C13 C 0.0470(4) 0.5295(4) 0.0962(3) 0.0509(12) Uani 1 1 d . . . . .
H13A H -0.018300 0.541463 0.078509 0.076 Uiso 1 1 calc R U . . .
H13B H 0.047370 0.509367 0.145524 0.076 Uiso 1 1 calc R U . . .
H13C H 0.043403 0.471244 0.048857 0.076 Uiso 1 1 calc R U . . .
C14 C -0.0926(3) 0.5761(3) 0.3143(3) 0.0341(9) Uani 1 1 d . . . . .
H14A H -0.090909 0.517144 0.271229 0.051 Uiso 1 1 calc R U . . .
H14B H -0.166339 0.573621 0.296107 0.051 Uiso 1 1 calc R U . . .
H14C H -0.078453 0.568114 0.369109 0.051 Uiso 1 1 calc R U . . .
C15 C 0.0023(3) 0.8114(3) 0.4095(2) 0.0307(8) Uani 1 1 d . . . . .
C16 C 0.0501(4) 0.8144(4) 0.4986(3) 0.0447(11) Uani 1 1 d . . . . .
H16A H 0.016540 0.741068 0.497569 0.067 Uiso 1 1 calc R U . . .
H16B H 0.032947 0.861456 0.539948 0.067 Uiso 1 1 calc R U . . .
H16C H 0.131553 0.842407 0.515176 0.067 Uiso 1 1 calc R U . . .
C17 C -0.1201(4) 0.7879(4) 0.3941(3) 0.0433(11) Uani 1 1 d . . . . .
H17A H -0.160774 0.720081 0.400109 0.065 Uiso 1 1 calc R U . . .
H17B H -0.154792 0.781510 0.336300 0.065 Uiso 1 1 calc R U . . .
H17C H -0.122864 0.847173 0.436021 0.065 Uiso 1 1 calc R U . . .
C18 C 0.0693(4) 0.9193(3) 0.4057(3) 0.0446(11) Uani 1 1 d . . . . .
H18A H 0.076196 0.977994 0.454597 0.067 Uiso 1 1 calc R U . . .
H18B H 0.030883 0.921527 0.352493 0.067 Uiso 1 1 calc R U . . .
H18C H 0.144088 0.928125 0.407623 0.067 Uiso 1 1 calc R U . . .
C19 C -0.0982(3) 0.7590(3) 0.0869(2) 0.0270(8) Uani 1 1 d . . . . .
C20 C -0.1715(3) 0.7361(3) 0.1337(2) 0.0250(7) Uani 1 1 d . . . . .
C21 C -0.2756(3) 0.7369(3) 0.1080(2) 0.0286(8) Uani 1 1 d . . . . .
H21 H -0.324197 0.722711 0.139493 0.034 Uiso 1 1 calc R U . . .
C22 C -0.3055(3) 0.7583(3) 0.0373(3) 0.0328(9) Uani 1 1 d . . . . .
H22 H -0.374554 0.760858 0.020704 0.039 Uiso 1 1 calc R U . . .
C23 C -0.2361(3) 0.7765(3) -0.0111(3) 0.0353(9) Uani 1 1 d . . . . .
H23 H -0.259997 0.788620 -0.061050 0.042 Uiso 1 1 calc R U . . .
C24 C -0.1347(3) 0.7770(3) 0.0124(3) 0.0327(9) Uani 1 1 d . . . . .
H24 H -0.088643 0.789476 -0.021117 0.039 Uiso 1 1 calc R U . . .
Co1' Co 0.89455(4) 0.24200(4) 0.62868(3) 0.02876(12) Uani 1 1 d . . . . .
P1' P 0.91250(7) 0.29267(7) 0.76255(6) 0.0239(2) Uani 1 1 d . . . . .
P2' P 1.03261(8) 0.20439(7) 0.65870(6) 0.02363(19) Uani 1 1 d . . . . .
N1' N 1.0635(3) 0.3119(2) 0.90631(19) 0.0270(7) Uani 1 1 d . . . . .
N2' N 1.1606(3) 0.2098(2) 0.8067(2) 0.0272(7) Uani 1 1 d . . . . .
C1' C 0.8524(4) 0.3487(4) 0.5828(3) 0.0510(13) Uani 1 1 d . . . . .
D1' D 0.877385 0.424414 0.608470 0.061 Uiso 1 1 calc R U . . .
C2' C 0.7594(4) 0.2759(4) 0.5937(3) 0.0489(13) Uani 1 1 d . . . . .
D2' D 0.722576 0.302815 0.627633 0.059 Uiso 1 1 calc R U . . .
C3' C 0.7205(4) 0.1631(4) 0.5546(3) 0.0461(12) Uani 1 1 d . . . . .
D3' D 0.656952 0.114544 0.561392 0.055 Uiso 1 1 calc R U . . .
C4' C 0.7746(4) 0.1233(4) 0.5067(3) 0.0486(13) Uani 1 1 d . . . . .
D4' D 0.748672 0.047540 0.480308 0.058 Uiso 1 1 calc R U . . .
C5' C 0.8688(4) 0.1962(4) 0.4972(3) 0.0505(13) Uani 1 1 d . . . . .
D5' D 0.907468 0.169311 0.465231 0.061 Uiso 1 1 calc R U . . .
C6' C 0.9065(4) 0.3097(4) 0.5350(3) 0.0544(15) Uani 1 1 d . . . . .
D6' D 0.968985 0.358255 0.527116 0.065 Uiso 1 1 calc R U . . .
C7' C 1.0314(3) 0.2817(3) 0.8221(2) 0.0217(7) Uani 1 1 d . . . . .
C8' C 1.0816(3) 0.2331(3) 0.7729(2) 0.0221(7) Uani 1 1 d . . . . .
C9' C 0.9456(3) 0.4332(3) 0.8172(3) 0.0366(9) Uani 1 1 d . . . . .
H9'A H 1.013287 0.480508 0.810607 0.055 Uiso 1 1 calc R U . . .
H9'B H 0.958363 0.449324 0.878021 0.055 Uiso 1 1 calc R U . . .
H9'C H 0.882933 0.445399 0.792274 0.055 Uiso 1 1 calc R U . . .
C10' C 0.7945(3) 0.2130(3) 0.7931(3) 0.0311(9) Uani 1 1 d . . . . .
C11' C 0.8230(4) 0.2501(4) 0.8892(3) 0.0525(13) Uani 1 1 d . . . . .
H11D H 0.889527 0.243395 0.914645 0.079 Uiso 1 1 calc R U . . .
H11E H 0.759774 0.204935 0.901564 0.079 Uiso 1 1 calc R U . . .
H11F H 0.838131 0.325742 0.913531 0.079 Uiso 1 1 calc R U . . .
C12' C 0.6903(4) 0.2243(4) 0.7560(4) 0.0575(15) Uani 1 1 d . . . . .
H12D H 0.709576 0.301088 0.773325 0.086 Uiso 1 1 calc R U . . .
H12E H 0.632109 0.189466 0.777373 0.086 Uiso 1 1 calc R U . . .
H12F H 0.662462 0.189409 0.693469 0.086 Uiso 1 1 calc R U . . .
C13' C 0.7707(3) 0.0947(3) 0.7548(3) 0.0321(9) Uani 1 1 d . . . . .
H13D H 0.754364 0.071727 0.692997 0.048 Uiso 1 1 calc R U . . .
H13E H 0.706114 0.049250 0.765610 0.048 Uiso 1 1 calc R U . . .
H13F H 0.836420 0.087529 0.781159 0.048 Uiso 1 1 calc R U . . .
C14' C 0.9983(4) 0.0625(3) 0.6119(3) 0.0354(9) Uani 1 1 d . . . . .
H14D H 0.939344 0.020020 0.629331 0.053 Uiso 1 1 calc R U . . .
H14E H 1.065163 0.053583 0.631715 0.053 Uiso 1 1 calc R U . . .
H14F H 0.971824 0.037193 0.549469 0.053 Uiso 1 1 calc R U . . .
C15' C 1.1627(3) 0.2784(3) 0.6383(2) 0.0301(8) Uani 1 1 d . . . . .
C16' C 1.1362(4) 0.2531(4) 0.5421(3) 0.0464(11) Uani 1 1 d . . . . .
H16D H 1.206321 0.280393 0.530949 0.070 Uiso 1 1 calc R U . . .
H16E H 1.091992 0.288150 0.524379 0.070 Uiso 1 1 calc R U . . .
H16F H 1.093374 0.174703 0.509799 0.070 Uiso 1 1 calc R U . . .
C17' C 1.2564(4) 0.2492(4) 0.6686(3) 0.0483(12) Uani 1 1 d . . . . .
H17D H 1.230154 0.171696 0.638156 0.072 Uiso 1 1 calc R U . . .
H17E H 1.276504 0.266816 0.730181 0.072 Uiso 1 1 calc R U . . .
H17F H 1.322141 0.290602 0.656806 0.072 Uiso 1 1 calc R U . . .
C18' C 1.2029(3) 0.3992(3) 0.6862(3) 0.0354(9) Uani 1 1 d . . . . .
H18D H 1.269576 0.441062 0.675516 0.053 Uiso 1 1 calc R U . . .
H18E H 1.221547 0.416103 0.747608 0.053 Uiso 1 1 calc R U . . .
H18F H 1.143465 0.417831 0.666125 0.053 Uiso 1 1 calc R U . . .
C19' C 1.1453(3) 0.2890(3) 0.9431(2) 0.0266(8) Uani 1 1 d . . . . .
C20' C 1.1929(3) 0.2368(3) 0.8924(2) 0.0274(8) Uani 1 1 d . . . . .
C21' C 1.2769(3) 0.2141(3) 0.9330(3) 0.0360(9) Uani 1 1 d . . . . .
H21' H 1.310382 0.180197 0.900216 0.043 Uiso 1 1 calc R U . . .
C22' C 1.3095(4) 0.2406(3) 1.0182(3) 0.0426(11) Uani 1 1 d . . . . .
H22' H 1.366350 0.225680 1.044883 0.051 Uiso 1 1 calc R U . . .
C23' C 1.2606(4) 0.2898(3) 1.0682(3) 0.0457(12) Uani 1 1 d . . . . .
H23' H 1.284082 0.306941 1.127910 0.055 Uiso 1 1 calc R U . . .
C24' C 1.1792(4) 0.3133(3) 1.0313(3) 0.0373(9) Uani 1 1 d . . . . .
H24' H 1.146004 0.345921 1.065328 0.045 Uiso 1 1 calc R U . . .
F1 F 0.703(2) 1.0186(10) 1.0772(8) 0.079(4) Uani 0.54(4) 1 d D . P A 1
F2 F 0.6690(11) 1.1106(13) 1.0105(10) 0.053(2) Uani 0.54(4) 1 d D . P A 1
F3 F 0.8392(11) 1.1547(15) 1.0793(13) 0.095(4) Uani 0.54(4) 1 d D . P A 1
F4 F 1.0310(2) 1.0173(3) 0.9064(2) 0.0784(10) Uani 1 1 d . . . . .
F5 F 0.9432(3) 0.9530(3) 0.7741(2) 0.0784(11) Uani 1 1 d . . . . .
F6 F 0.9465(3) 0.8491(3) 0.8389(3) 0.0912(13) Uani 1 1 d . . . . .
F7 F 0.6121(2) 0.9105(2) 0.52160(19) 0.0549(7) Uani 1 1 d . . . . .
F8 F 0.7374(2) 0.8584(2) 0.53985(19) 0.0587(8) Uani 1 1 d . . . . .
F9 F 0.6063(3) 0.7881(2) 0.41876(16) 0.0622(9) Uani 1 1 d . . . . .
F10 F 0.3669(3) 0.4187(2) 0.37046(17) 0.0738(11) Uani 1 1 d . . . . .
F11 F 0.36049(19) 0.37571(17) 0.47769(15) 0.0360(5) Uani 1 1 d . . . . .
F12 F 0.24405(19) 0.42409(18) 0.42587(19) 0.0524(8) Uani 1 1 d . . . . .
F13 F 0.560(2) 0.398(2) 0.7219(9) 0.042(5) Uani 0.169(16) 1 d D . P B 1
F14 F 0.573(3) 0.383(2) 0.8370(16) 0.059(6) Uani 0.169(16) 1 d D . P B 1
F15 F 0.7032(14) 0.5111(18) 0.833(2) 0.068(6) Uani 0.169(16) 1 d D . P B 1
F16 F 0.3574(3) 0.5000(2) 0.97716(19) 0.0622(9) Uani 1 1 d . . . . .
F17 F 0.2541(2) 0.5471(3) 0.90481(17) 0.0628(8) Uani 1 1 d . . . . .
F18 F 0.4027(2) 0.66785(18) 1.01017(15) 0.0432(6) Uani 1 1 d . . . . .
F19 F 0.0805(2) 0.5884(3) 0.7130(2) 0.0706(9) Uani 1 1 d . . . . .
F20 F 0.0493(3) 0.5882(3) 0.5899(2) 0.0776(10) Uani 1 1 d . . . . .
F21 F 0.0221(2) 0.6954(2) 0.6856(3) 0.0816(11) Uani 1 1 d . . . . .
F22 F 0.2768(2) 1.0472(2) 0.7268(3) 0.0749(11) Uani 1 1 d . . . . .
F23 F 0.4019(3) 1.0491(2) 0.67081(18) 0.0605(8) Uani 1 1 d . . . . .
F24 F 0.4447(2) 1.10391(18) 0.80474(17) 0.0478(6) Uani 1 1 d . . . . .
C25 C 0.6298(3) 0.8471(3) 0.8106(2) 0.0221(7) Uani 1 1 d . . . . .
C26 C 0.6399(3) 0.9218(3) 0.8866(2) 0.0275(8) Uani 1 1 d . . . . .
H26 H 0.573783 0.918818 0.896841 0.033 Uiso 1 1 calc R U . . .
C27 C 0.7434(4) 1.0002(3) 0.9474(2) 0.0340(9) Uani 1 1 d . . . . .
C28 C 0.8417(3) 1.0079(3) 0.9353(3) 0.0351(9) Uani 1 1 d . . . . .
H28 H 0.912295 1.062338 0.976698 0.042 Uiso 1 1 calc R U . . .
C29 C 0.8350(3) 0.9348(3) 0.8617(3) 0.0291(8) Uani 1 1 d . . . . .
C30 C 0.7299(3) 0.8553(3) 0.8002(2) 0.0228(7) Uani 1 1 d . . . . .
H30 H 0.727268 0.805628 0.749992 0.027 Uiso 1 1 calc R U . . .
C31 C 0.7467(5) 1.0732(4) 1.0293(3) 0.0528(10) Uani 1 1 d D . . . .
C32 C 0.9374(3) 0.9380(4) 0.8447(3) 0.0388(10) Uani 1 1 d . . . . .
C33 C 0.5048(3) 0.7030(3) 0.6466(2) 0.0200(7) Uani 1 1 d . . . . .
C34 C 0.5637(3) 0.7734(3) 0.6137(2) 0.0215(7) Uani 1 1 d . . . . .
H34 H 0.609818 0.847478 0.650231 0.026 Uiso 1 1 calc R U . . .
C35 C 0.5577(3) 0.7393(3) 0.5289(2) 0.0234(7) Uani 1 1 d . . . . .
C36 C 0.4907(3) 0.6327(3) 0.4732(2) 0.0226(7) Uani 1 1 d . . . . .
H36 H 0.487226 0.609104 0.415531 0.027 Uiso 1 1 calc R U . . .
C37 C 0.4289(3) 0.5613(3) 0.5036(2) 0.0216(7) Uani 1 1 d . . . . .
C38 C 0.4359(3) 0.5953(3) 0.5887(2) 0.0211(7) Uani 1 1 d . . . . .
H38 H 0.393010 0.544215 0.607959 0.025 Uiso 1 1 calc R U . . .
C39 C 0.6283(3) 0.8211(3) 0.5014(2) 0.0320(9) Uani 1 1 d . . . . .
C40 C 0.3514(3) 0.4459(3) 0.4445(2) 0.0269(8) Uani 1 1 d . . . . .
C41 C 0.4883(3) 0.6570(3) 0.7866(2) 0.0204(7) Uani 1 1 d . . . . .
C42 C 0.5402(3) 0.5897(3) 0.7737(2) 0.0238(7) Uani 1 1 d . . . . .
H42 H 0.579694 0.591963 0.734945 0.029 Uiso 1 1 calc R U . . .
C43 C 0.5359(3) 0.5203(3) 0.8153(2) 0.0261(8) Uani 1 1 d . . . . .
C44 C 0.4776(3) 0.5132(3) 0.8715(2) 0.0282(8) Uani 1 1 d . . . . .
H44 H 0.473521 0.464917 0.899624 0.034 Uiso 1 1 calc R U . . .
C45 C 0.4259(3) 0.5782(3) 0.8852(2) 0.0262(8) Uani 1 1 d . . . . .
C46 C 0.4320(3) 0.6495(3) 0.8446(2) 0.0222(7) Uani 1 1 d . . . . .
H46 H 0.396906 0.694374 0.856656 0.027 Uiso 1 1 calc R U . . .
C47 C 0.5971(4) 0.4539(3) 0.8028(3) 0.0356(8) Uani 1 1 d D . . . .
C48 C 0.3609(4) 0.5731(3) 0.9442(3) 0.0346(9) Uani 1 1 d . . . . .
C49 C 0.4077(3) 0.7848(3) 0.7357(2) 0.0198(7) Uani 1 1 d . . . . .
C50 C 0.2955(3) 0.7100(3) 0.7120(2) 0.0266(8) Uani 1 1 d . . . . .
H50 H 0.277871 0.637720 0.705612 0.032 Uiso 1 1 calc R U . . .
C51 C 0.2092(3) 0.7379(3) 0.6975(3) 0.0288(8) Uani 1 1 d . . . . .
C52 C 0.2292(3) 0.8407(3) 0.7039(2) 0.0271(8) Uani 1 1 d . . . . .
H52 H 0.169813 0.859400 0.693851 0.033 Uiso 1 1 calc R U . . .
C53 C 0.3393(3) 0.9158(3) 0.7255(2) 0.0241(7) Uani 1 1 d . . . . .
C54 C 0.4258(3) 0.8884(3) 0.7409(2) 0.0227(7) Uani 1 1 d . . . . .
H54 H 0.500315 0.942050 0.755621 0.027 Uiso 1 1 calc R U . . .
C55 C 0.0911(3) 0.6535(4) 0.6722(3) 0.0444(11) Uani 1 1 d . . . . .
C56 C 0.3654(3) 1.0287(3) 0.7318(3) 0.0352(9) Uani 1 1 d . . . . .
B1 B 0.5068(3) 0.7478(3) 0.7447(3) 0.0206(8) Uani 1 1 d . . . . .
F1' F 0.4324(3) 0.0759(2) 0.4771(2) 0.0650(9) Uani 1 1 d . . . . .
F2' F 0.3283(2) 0.1521(3) 0.4782(2) 0.0699(10) Uani 1 1 d . . . . .
F3' F 0.4668(3) 0.2073(3) 0.58723(18) 0.0745(10) Uani 1 1 d . . . . .
F7' F 0.4370(2) 0.53306(19) 0.24751(16) 0.0387(6) Uani 1 1 d . . . . .
F8' F 0.6038(2) 0.6520(2) 0.2770(2) 0.0721(10) Uani 1 1 d . . . . .
F9' F 0.4849(3) 0.5860(3) 0.1523(2) 0.0605(9) Uani 1 1 d . . . . .
F10' F 0.7367(3) 0.4756(2) 0.02995(19) 0.0590(8) Uani 1 1 d . . . . .
F11' F 0.7837(2) 0.3651(2) 0.06605(17) 0.0509(7) Uani 1 1 d . . . . .
F12' F 0.6273(2) 0.3050(2) -0.03075(16) 0.0619(8) Uani 1 1 d . . . . .
F13' F 0.9692(2) 0.3070(3) 0.25061(18) 0.0698(10) Uani 1 1 d . . . . .
F14' F 1.0125(2) 0.2217(3) 0.3235(3) 0.0780(11) Uani 1 1 d . . . . .
F15' F 0.9905(2) 0.3571(2) 0.38107(17) 0.0545(7) Uani 1 1 d . . . . .
F16' F 0.7124(2) -0.1080(2) 0.29190(18) 0.0478(6) Uani 1 1 d . . . . .
F17' F 0.5711(2) -0.15620(18) 0.18124(16) 0.0466(6) Uani 1 1 d . . . . .
F18' F 0.5635(2) -0.1011(2) 0.30618(17) 0.0463(6) Uani 1 1 d . . . . .
F19' F 0.3430(3) -0.1355(3) -0.02721(19) 0.0815(11) Uani 1 1 d . . . . .
F20' F 0.3105(5) -0.0341(3) -0.0848(2) 0.1140(18) Uani 1 1 d . . . . .
F21' F 0.1782(3) -0.1626(3) -0.0777(2) 0.0821(11) Uani 1 1 d . . . . .
F22' F 0.0272(2) 0.0264(3) 0.09953(18) 0.0581(8) Uani 1 1 d . . . . .
F23' F 0.1404(2) 0.1775(2) 0.2038(2) 0.0623(8) Uani 1 1 d . . . . .
F24' F 0.0996(2) 0.0292(3) 0.22144(19) 0.0583(8) Uani 1 1 d . . . . .
F4' F 0.6712(4) 0.5850(3) 0.6010(3) 0.0495(11) Uani 0.677(5) 1 d D . P C 1
F5' F 0.7786(8) 0.5947(6) 0.5247(4) 0.0552(18) Uani 0.423(5) 1 d D . P C 1
F6' F 0.7890(4) 0.5391(4) 0.6253(3) 0.0541(13) Uani 0.606(5) 1 d D . P C 1
F4B F 0.7114(7) 0.6068(5) 0.5075(5) 0.0468(16) Uani 0.422(5) 1 d D . P C 2
F5B F 0.7318(17) 0.5667(13) 0.6240(9) 0.0552(18) Uani 0.177(4) 1 d D . P C 2
F6B F 0.8231(7) 0.5632(7) 0.5377(7) 0.048(2) Uani 0.349(5) 1 d D . P C 2
F5D F 0.6839(13) 0.6053(12) 0.5530(14) 0.038(2) Uani 0.164(5) 1 d D . P C 3
F5C F 0.8152(12) 0.5609(13) 0.5825(13) 0.038(2) Uani 0.182(5) 1 d D . P C 4
C25' C 0.5568(3) 0.2777(3) 0.3513(2) 0.0211(7) Uani 1 1 d . . . . .
C26' C 0.4961(3) 0.2103(3) 0.3864(2) 0.0214(7) Uani 1 1 d . . . . .
H26' H 0.447708 0.136154 0.350884 0.026 Uiso 1 1 calc R U . . .
C27' C 0.5039(3) 0.2475(3) 0.4710(2) 0.0224(7) Uani 1 1 d . . . . .
C28' C 0.5745(3) 0.3541(3) 0.5254(2) 0.0254(8) Uani 1 1 d . . . . .
H28' H 0.578991 0.380037 0.583187 0.031 Uiso 1 1 calc R U . . .
C29' C 0.6386(3) 0.4222(3) 0.4934(2) 0.0275(8) Uani 1 1 d . . . . .
C30' C 0.6299(3) 0.3846(3) 0.4083(2) 0.0244(7) Uani 1 1 d . . . . .
H30' H 0.675041 0.433163 0.388261 0.029 Uiso 1 1 calc R U . . .
C31' C 0.4332(3) 0.1712(3) 0.5029(2) 0.0287(8) Uani 1 1 d . . . . .
C32' C 0.7182(3) 0.5371(3) 0.5520(3) 0.0379(8) Uani 1 1 d D . . . .
C33' C 0.5794(3) 0.3229(3) 0.2125(2) 0.0217(7) Uani 1 1 d . . . . .
C34' C 0.5427(3) 0.4020(3) 0.2310(2) 0.0235(7) Uani 1 1 d . . . . .
H34' H 0.507297 0.406141 0.272344 0.028 Uiso 1 1 calc R U . . .
C35' C 0.5561(3) 0.4742(3) 0.1914(2) 0.0242(7) Uani 1 1 d . . . . .
C36' C 0.6058(3) 0.4709(3) 0.1299(2) 0.0246(7) Uani 1 1 d . . . . .
H36' H 0.614522 0.520135 0.102314 0.030 Uiso 1 1 calc R U . . .
C37' C 0.6424(3) 0.3932(3) 0.1099(2) 0.0246(7) Uani 1 1 d . . . . .
C38' C 0.6284(3) 0.3201(3) 0.1498(2) 0.0221(7) Uani 1 1 d . . . . .
H38' H 0.652981 0.266892 0.133844 0.027 Uiso 1 1 calc R U . . .
C39' C 0.5204(3) 0.5605(3) 0.2165(3) 0.0317(9) Uani 1 1 d . . . . .
C40' C 0.6961(4) 0.3852(3) 0.0437(2) 0.0317(9) Uani 1 1 d . . . . .
C41' C 0.6373(3) 0.1785(3) 0.2570(2) 0.0223(7) Uani 1 1 d . . . . .
C42' C 0.7517(3) 0.2399(3) 0.2761(2) 0.0237(7) Uani 1 1 d . . . . .
H42' H 0.779284 0.312909 0.281276 0.028 Uiso 1 1 calc R U . . .
C43' C 0.8269(3) 0.1973(3) 0.2877(2) 0.0263(8) Uani 1 1 d . . . . .
C44' C 0.7902(3) 0.0919(3) 0.2822(2) 0.0267(8) Uani 1 1 d . . . . .
H44' H 0.840983 0.062465 0.289618 0.032 Uiso 1 1 calc R U . . .
C45' C 0.6773(3) 0.0305(3) 0.2657(2) 0.0242(7) Uani 1 1 d . . . . .
C46' C 0.6029(3) 0.0730(3) 0.2528(2) 0.0229(7) Uani 1 1 d . . . . .
H46' H 0.525841 0.028698 0.240815 0.027 Uiso 1 1 calc R U . . .
C47' C 0.9478(3) 0.2682(3) 0.3090(3) 0.0328(9) Uani 1 1 d . . . . .
C48' C 0.6325(3) -0.0830(3) 0.2611(3) 0.0321(9) Uani 1 1 d . . . . .
C49' C 0.4228(3) 0.1388(3) 0.1878(2) 0.0225(7) Uani 1 1 d . . . . .
C50' C 0.4033(3) 0.0619(3) 0.1091(2) 0.0259(8) Uani 1 1 d . . . . .
H50' H 0.465503 0.057687 0.095990 0.031 Uiso 1 1 calc R U . . .
C51' C 0.2957(3) -0.0085(3) 0.0495(2) 0.0305(8) Uani 1 1 d . . . . .
C52' C 0.2022(3) -0.0059(3) 0.0667(3) 0.0333(9) Uani 1 1 d . . . . .
H52' H 0.128775 -0.054671 0.026602 0.040 Uiso 1 1 calc R U . . .
C53' C 0.2193(3) 0.0698(3) 0.1438(3) 0.0295(8) Uani 1 1 d . . . . .
C54' C 0.3273(3) 0.1410(3) 0.2026(2) 0.0250(7) Uani 1 1 d . . . . .
H54' H 0.336371 0.192905 0.254450 0.030 Uiso 1 1 calc R U . . .
C55' C 0.2819(4) -0.0837(4) -0.0346(3) 0.0439(11) Uani 1 1 d . . . . .
C56' C 0.1220(3) 0.0758(4) 0.1669(3) 0.0381(10) Uani 1 1 d . . . . .
B1' B 0.5496(3) 0.2302(3) 0.2523(3) 0.0209(8) Uani 1 1 d . . . . .
F3A F 0.8462(12) 1.1729(12) 1.0592(12) 0.070(4) Uani 0.46(4) 1 d D . P A 2
F1A F 0.770(3) 1.0403(14) 1.0893(7) 0.082(5) Uani 0.46(4) 1 d D . P A 2
F2A F 0.6713(15) 1.102(2) 1.0282(16) 0.078(4) Uani 0.46(4) 1 d D . P A 2
F14A F 0.5396(5) 0.3550(4) 0.7982(7) 0.082(2) Uani 0.831(16) 1 d D . P B 2
F15A F 0.6932(4) 0.4965(5) 0.8672(3) 0.0622(15) Uani 0.831(16) 1 d D . P B 2
F13A F 0.6276(9) 0.4454(7) 0.7345(3) 0.074(2) Uani 0.831(16) 1 d D . P B 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Co Co 0.3494 0.9721 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
D D 0.0000 0.0000 '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'
P P 0.1023 0.0942 '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
P1 Co1 P2 89.10(4) . . ?
C1 Co1 P1 104.82(13) . . ?
C1 Co1 P2 142.89(13) . . ?
C1 Co1 C3 70.32(17) . . ?
C1 Co1 C4 82.88(18) . . ?
C1 Co1 C6 38.26(18) . . ?
C2 Co1 P1 93.33(12) . . ?
C2 Co1 P2 176.51(12) . . ?
C2 Co1 C1 38.53(16) . . ?
C2 Co1 C3 38.94(16) . . ?
C2 Co1 C4 69.36(16) . . ?
C2 Co1 C5 82.16(17) . . ?
C2 Co1 C6 69.29(17) . . ?
C3 Co1 P1 108.87(12) . . ?
C3 Co1 P2 137.72(12) . . ?
C3 Co1 C4 37.88(16) . . ?
C3 Co1 C6 82.77(17) . . ?
C4 Co1 P1 141.93(13) . . ?
C4 Co1 P2 107.21(12) . . ?
C4 Co1 C6 70.21(19) . . ?
C5 Co1 P1 174.61(14) . . ?
C5 Co1 P2 95.54(13) . . ?
C5 Co1 C1 69.81(19) . . ?
C5 Co1 C3 69.34(17) . . ?
C5 Co1 C4 38.70(18) . . ?
C5 Co1 C6 38.92(19) . . ?
C6 Co1 P1 136.48(15) . . ?
C6 Co1 P2 110.48(13) . . ?
C7 P1 Co1 109.04(12) . . ?
C7 P1 C10 102.24(17) . . ?
C9 P1 Co1 114.46(15) . . ?
C9 P1 C7 103.37(17) . . ?
C9 P1 C10 105.2(2) . . ?
C10 P1 Co1 120.62(14) . . ?
C8 P2 Co1 108.79(12) . . ?
C8 P2 C15 102.45(16) . . ?
C14 P2 Co1 115.43(14) . . ?
C14 P2 C8 103.37(18) . . ?
C14 P2 C15 105.32(18) . . ?
C15 P2 Co1 119.59(13) . . ?
C7 N1 C19 117.1(3) . . ?
C8 N2 C20 116.8(3) . . ?
Co1 C1 D1 131.6 . . ?
C2 C1 Co1 69.3(2) . . ?
C2 C1 D1 120.5 . . ?
C2 C1 C6 119.1(4) . . ?
C6 C1 Co1 71.4(3) . . ?
C6 C1 D1 120.5 . . ?
Co1 C2 D2 129.6 . . ?
C1 C2 Co1 72.2(2) . . ?
C1 C2 D2 118.9 . . ?
C1 C2 C3 122.2(4) . . ?
C3 C2 Co1 72.0(2) . . ?
C3 C2 D2 118.9 . . ?
Co1 C3 D3 132.1 . . ?
C2 C3 Co1 69.1(2) . . ?
C2 C3 D3 120.6 . . ?
C4 C3 Co1 71.1(2) . . ?
C4 C3 C2 118.9(4) . . ?
C4 C3 D3 120.6 . . ?
Co1 C4 D4 131.7 . . ?
C3 C4 Co1 71.0(2) . . ?
C3 C4 D4 120.0 . . ?
C3 C4 C5 119.9(4) . . ?
C5 C4 Co1 70.1(2) . . ?
C5 C4 D4 120.0 . . ?
Co1 C5 D5 130.3 . . ?
C4 C5 Co1 71.2(2) . . ?
C4 C5 D5 119.6 . . ?
C4 C5 C6 120.8(4) . . ?
C6 C5 Co1 71.5(3) . . ?
C6 C5 D5 119.6 . . ?
Co1 C6 D6 132.5 . . ?
C1 C6 Co1 70.4(3) . . ?
C1 C6 C5 119.0(4) . . ?
C1 C6 D6 120.5 . . ?
C5 C6 Co1 69.5(3) . . ?
C5 C6 D6 120.5 . . ?
N1 C7 P1 121.8(3) . . ?
N1 C7 C8 121.9(3) . . ?
C8 C7 P1 116.3(3) . . ?
N2 C8 P2 121.4(3) . . ?
N2 C8 C7 122.2(3) . . ?
C7 C8 P2 116.3(3) . . ?
P1 C9 H9A 109.5 . . ?
P1 C9 H9B 109.5 . . ?
P1 C9 H9C 109.5 . . ?
H9A C9 H9B 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 P1 111.4(3) . . ?
C12 C10 P1 110.9(3) . . ?
C12 C10 C11 106.7(3) . . ?
C13 C10 P1 107.4(3) . . ?
C13 C10 C11 111.0(4) . . ?
C13 C10 C12 109.4(4) . . ?
C10 C11 H11A 109.5 . . ?
C10 C11 H11B 109.5 . . ?
C10 C11 H11C 109.5 . . ?
H11A C11 H11B 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C10 C12 H12A 109.5 . . ?
C10 C12 H12B 109.5 . . ?
C10 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C10 C13 H13A 109.5 . . ?
C10 C13 H13B 109.5 . . ?
C10 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
P2 C14 H14A 109.5 . . ?
P2 C14 H14B 109.5 . . ?
P2 C14 H14C 109.5 . . ?
H14A C14 H14B 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C16 C15 P2 110.2(3) . . ?
C16 C15 C17 107.1(3) . . ?
C17 C15 P2 111.9(3) . . ?
C18 C15 P2 106.9(3) . . ?
C18 C15 C16 109.9(4) . . ?
C18 C15 C17 110.8(4) . . ?
C15 C16 H16A 109.5 . . ?
C15 C16 H16B 109.5 . . ?
C15 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17B 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C15 C18 H18A 109.5 . . ?
C15 C18 H18B 109.5 . . ?
C15 C18 H18C 109.5 . . ?
H18A C18 H18B 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
N1 C19 C20 121.3(3) . . ?
N1 C19 C24 120.2(3) . . ?
C24 C19 C20 118.5(3) . . ?
N2 C20 C19 120.7(3) . . ?
N2 C20 C21 119.3(3) . . ?
C21 C20 C19 120.1(3) . . ?
C20 C21 H21 120.4 . . ?
C22 C21 C20 119.2(4) . . ?
C22 C21 H21 120.4 . . ?
C21 C22 H22 119.5 . . ?
C21 C22 C23 121.1(4) . . ?
C23 C22 H22 119.5 . . ?
C22 C23 H23 119.4 . . ?
C24 C23 C22 121.1(4) . . ?
C24 C23 H23 119.4 . . ?
C19 C24 H24 120.0 . . ?
C23 C24 C19 119.9(4) . . ?
C23 C24 H24 120.0 . . ?
P2' Co1' P1' 88.78(4) . . ?
C1' Co1' P1' 107.12(17) . . ?
C1' Co1' P2' 140.20(14) . . ?
C1' Co1' C3' 70.35(17) . . ?
C1' Co1' C4' 82.88(19) . . ?
C1' Co1' C6' 37.7(2) . . ?
C2' Co1' P1' 93.74(16) . . ?
C2' Co1' P2' 177.47(16) . . ?
C2' Co1' C1' 38.91(18) . . ?
C2' Co1' C3' 39.00(18) . . ?
C2' Co1' C4' 69.5(2) . . ?
C2' Co1' C5' 82.4(2) . . ?
C2' Co1' C6' 69.3(2) . . ?
C3' Co1' P1' 108.04(15) . . ?
C3' Co1' P2' 139.76(14) . . ?
C3' Co1' C4' 37.7(2) . . ?
C4' Co1' P1' 139.88(14) . . ?
C4' Co1' P2' 108.37(16) . . ?
C5' Co1' P1' 176.18(16) . . ?
C5' Co1' P2' 95.03(16) . . ?
C5' Co1' C1' 69.7(2) . . ?
C5' Co1' C3' 69.1(2) . . ?
C5' Co1' C4' 38.74(18) . . ?
C5' Co1' C6' 39.3(2) . . ?
C6' Co1' P1' 138.79(16) . . ?
C6' Co1' P2' 108.87(17) . . ?
C6' Co1' C3' 82.51(18) . . ?
C6' Co1' C4' 70.45(17) . . ?
C7' P1' Co1' 109.18(12) . . ?
C7' P1' C10' 103.16(17) . . ?
C9' P1' Co1' 116.02(15) . . ?
C9' P1' C7' 103.57(18) . . ?
C9' P1' C10' 104.76(18) . . ?
C10' P1' Co1' 118.45(14) . . ?
C8' P2' Co1' 109.20(11) . . ?
C8' P2' C15' 104.35(17) . . ?
C14' P2' Co1' 115.85(15) . . ?
C14' P2' C8' 101.49(18) . . ?
C14' P2' C15' 105.06(18) . . ?
C15' P2' Co1' 118.95(13) . . ?
C7' N1' C19' 116.5(3) . . ?
C8' N2' C20' 116.5(3) . . ?
Co1' C1' D1' 131.7 . . ?
C2' C1' Co1' 69.8(2) . . ?
C2' C1' D1' 120.2 . . ?
C6' C1' Co1' 71.2(3) . . ?
C6' C1' D1' 120.2 . . ?
C6' C1' C2' 119.6(5) . . ?
Co1' C2' D2' 130.1 . . ?
C1' C2' Co1' 71.3(3) . . ?
C1' C2' D2' 119.8 . . ?
C1' C2' C3' 120.5(5) . . ?
C3' C2' Co1' 71.4(3) . . ?
C3' C2' D2' 119.8 . . ?
Co1' C3' D3' 131.9 . . ?
C2' C3' Co1' 69.6(2) . . ?
C2' C3' D3' 119.9 . . ?
C4' C3' Co1' 71.5(3) . . ?
C4' C3' C2' 120.2(4) . . ?
C4' C3' D3' 119.9 . . ?
Co1' C4' D4' 132.1 . . ?
C3' C4' Co1' 70.9(3) . . ?
C3' C4' D4' 120.3 . . ?
C3' C4' C5' 119.3(5) . . ?
C5' C4' Co1' 69.5(2) . . ?
C5' C4' D4' 120.3 . . ?
Co1' C5' D5' 130.0 . . ?
C4' C5' Co1' 71.7(3) . . ?
C4' C5' D5' 119.7 . . ?
C4' C5' C6' 120.6(5) . . ?
C6' C5' Co1' 71.1(3) . . ?
C6' C5' D5' 119.7 . . ?
Co1' C6' D6' 131.9 . . ?
C1' C6' Co1' 71.2(3) . . ?
C1' C6' C5' 119.8(5) . . ?
C1' C6' D6' 120.1 . . ?
C5' C6' Co1' 69.7(2) . . ?
C5' C6' D6' 120.1 . . ?
N1' C7' P1' 121.5(3) . . ?
N1' C7' C8' 122.3(3) . . ?
C8' C7' P1' 116.1(3) . . ?
N2' C8' P2' 121.2(3) . . ?
N2' C8' C7' 122.6(3) . . ?
C7' C8' P2' 116.3(3) . . ?
P1' C9' H9'A 109.5 . . ?
P1' C9' H9'B 109.5 . . ?
P1' C9' H9'C 109.5 . . ?
H9'A C9' H9'B 109.5 . . ?
H9'A C9' H9'C 109.5 . . ?
H9'B C9' H9'C 109.5 . . ?
C11' C10' P1' 112.8(3) . . ?
C11' C10' C12' 107.8(4) . . ?
C11' C10' C13' 109.7(4) . . ?
C12' C10' P1' 110.0(3) . . ?
C12' C10' C13' 110.0(3) . . ?
C13' C10' P1' 106.5(2) . . ?
C10' C11' H11D 109.5 . . ?
C10' C11' H11E 109.5 . . ?
C10' C11' H11F 109.5 . . ?
H11D C11' H11E 109.5 . . ?
H11D C11' H11F 109.5 . . ?
H11E C11' H11F 109.5 . . ?
C10' C12' H12D 109.5 . . ?
C10' C12' H12E 109.5 . . ?
C10' C12' H12F 109.5 . . ?
H12D C12' H12E 109.5 . . ?
H12D C12' H12F 109.5 . . ?
H12E C12' H12F 109.5 . . ?
C10' C13' H13D 109.5 . . ?
C10' C13' H13E 109.5 . . ?
C10' C13' H13F 109.5 . . ?
H13D C13' H13E 109.5 . . ?
H13D C13' H13F 109.5 . . ?
H13E C13' H13F 109.5 . . ?
P2' C14' H14D 109.5 . . ?
P2' C14' H14E 109.5 . . ?
P2' C14' H14F 109.5 . . ?
H14D C14' H14E 109.5 . . ?
H14D C14' H14F 109.5 . . ?
H14E C14' H14F 109.5 . . ?
C16' C15' P2' 110.3(3) . . ?
C17' C15' P2' 113.1(3) . . ?
C17' C15' C16' 107.8(3) . . ?
C18' C15' P2' 106.8(2) . . ?
C18' C15' C16' 109.1(3) . . ?
C18' C15' C17' 109.6(4) . . ?
C15' C16' H16D 109.5 . . ?
C15' C16' H16E 109.5 . . ?
C15' C16' H16F 109.5 . . ?
H16D C16' H16E 109.5 . . ?
H16D C16' H16F 109.5 . . ?
H16E C16' H16F 109.5 . . ?
C15' C17' H17D 109.5 . . ?
C15' C17' H17E 109.5 . . ?
C15' C17' H17F 109.5 . . ?
H17D C17' H17E 109.5 . . ?
H17D C17' H17F 109.5 . . ?
H17E C17' H17F 109.5 . . ?
C15' C18' H18D 109.5 . . ?
C15' C18' H18E 109.5 . . ?
C15' C18' H18F 109.5 . . ?
H18D C18' H18E 109.5 . . ?
H18D C18' H18F 109.5 . . ?
H18E C18' H18F 109.5 . . ?
N1' C19' C20' 120.7(3) . . ?
N1' C19' C24' 119.6(3) . . ?
C24' C19' C20' 119.6(3) . . ?
N2' C20' C19' 121.4(3) . . ?
N2' C20' C21' 119.7(4) . . ?
C21' C20' C19' 118.9(4) . . ?
C20' C21' H21' 120.0 . . ?
C22' C21' C20' 120.1(4) . . ?
C22' C21' H21' 120.0 . . ?
C21' C22' H22' 119.4 . . ?
C21' C22' C23' 121.1(4) . . ?
C23' C22' H22' 119.4 . . ?
C22' C23' H23' 119.7 . . ?
C24' C23' C22' 120.6(4) . . ?
C24' C23' H23' 119.7 . . ?
C19' C24' H24' 120.2 . . ?
C23' C24' C19' 119.7(4) . . ?
C23' C24' H24' 120.2 . . ?
C26 C25 B1 120.7(3) . . ?
C30 C25 C26 115.9(3) . . ?
C30 C25 B1 122.9(3) . . ?
C25 C26 H26 119.0 . . ?
C27 C26 C25 122.1(4) . . ?
C27 C26 H26 119.0 . . ?
C26 C27 C31 118.6(4) . . ?
C28 C27 C26 121.1(4) . . ?
C28 C27 C31 120.3(4) . . ?
C27 C28 H28 120.8 . . ?
C29 C28 C27 118.5(4) . . ?
C29 C28 H28 120.8 . . ?
C28 C29 C30 120.3(4) . . ?
C28 C29 C32 121.3(4) . . ?
C30 C29 C32 118.4(4) . . ?
C25 C30 C29 122.2(3) . . ?
C25 C30 H30 118.9 . . ?
C29 C30 H30 118.9 . . ?
F1 C31 F2 99.3(10) . . ?
F1 C31 C27 113.1(6) . . ?
F2 C31 C27 109.0(8) . . ?
F3 C31 F1 107.4(8) . . ?
F3 C31 F2 107.6(12) . . ?
F3 C31 C27 118.6(11) . . ?
F3A C31 C27 107.1(10) . . ?
F1A C31 C27 109.7(7) . . ?
F1A C31 F3A 100.0(11) . . ?
F2A C31 C27 119.4(12) . . ?
F2A C31 F3A 103.3(13) . . ?
F2A C31 F1A 114.9(10) . . ?
F4 C32 C29 112.8(4) . . ?
F5 C32 F4 105.4(4) . . ?
F5 C32 F6 107.3(4) . . ?
F5 C32 C29 113.2(3) . . ?
F6 C32 F4 104.8(4) . . ?
F6 C32 C29 112.7(3) . . ?
C34 C33 C38 115.9(3) . . ?
C34 C33 B1 120.9(3) . . ?
C38 C33 B1 122.9(3) . . ?
C33 C34 H34 118.8 . . ?
C33 C34 C35 122.4(3) . . ?
C35 C34 H34 118.8 . . ?
C34 C35 C39 117.7(3) . . ?
C36 C35 C34 120.8(3) . . ?
C36 C35 C39 121.4(3) . . ?
C35 C36 H36 120.9 . . ?
C35 C36 C37 118.1(3) . . ?
C37 C36 H36 120.9 . . ?
C36 C37 C38 121.0(3) . . ?
C36 C37 C40 120.0(3) . . ?
C38 C37 C40 119.0(3) . . ?
C33 C38 H38 119.1 . . ?
C37 C38 C33 121.7(3) . . ?
C37 C38 H38 119.1 . . ?
F7 C39 C35 111.5(3) . . ?
F8 C39 F7 104.5(3) . . ?
F8 C39 C35 113.3(3) . . ?
F9 C39 F7 104.1(3) . . ?
F9 C39 F8 108.2(3) . . ?
F9 C39 C35 114.4(3) . . ?
F10 C40 F11 106.7(3) . . ?
F10 C40 F12 106.4(3) . . ?
F10 C40 C37 113.1(3) . . ?
F11 C40 F12 104.7(3) . . ?
F11 C40 C37 113.1(3) . . ?
F12 C40 C37 112.2(3) . . ?
C42 C41 B1 121.0(3) . . ?
C46 C41 C42 115.6(3) . . ?
C46 C41 B1 123.0(3) . . ?
C41 C42 H42 118.8 . . ?
C43 C42 C41 122.4(3) . . ?
C43 C42 H42 118.8 . . ?
C42 C43 C44 120.7(3) . . ?
C42 C43 C47 120.6(3) . . ?
C44 C43 C47 118.7(3) . . ?
C43 C44 H44 121.0 . . ?
C45 C44 C43 118.0(3) . . ?
C45 C44 H44 121.0 . . ?
C44 C45 C46 121.3(3) . . ?
C44 C45 C48 120.3(3) . . ?
C46 C45 C48 118.4(3) . . ?
C41 C46 H46 119.0 . . ?
C45 C46 C41 122.0(3) . . ?
C45 C46 H46 119.0 . . ?
F13 C47 F14 105.1(14) . . ?
F13 C47 C43 106.1(8) . . ?
F14 C47 C43 112.9(15) . . ?
F15 C47 F13 112.0(14) . . ?
F15 C47 F14 107.6(15) . . ?
F15 C47 C43 113.0(12) . . ?
F14A C47 C43 112.8(4) . . ?
F14A C47 F15A 105.2(4) . . ?
F14A C47 F13A 107.7(5) . . ?
F15A C47 C43 112.3(4) . . ?
F15A C47 F13A 103.5(5) . . ?
F13A C47 C43 114.5(3) . . ?
F16 C48 F17 105.8(3) . . ?
F16 C48 F18 106.8(3) . . ?
F16 C48 C45 113.3(3) . . ?
F17 C48 F18 106.0(3) . . ?
F17 C48 C45 112.0(3) . . ?
F18 C48 C45 112.4(3) . . ?
C50 C49 B1 121.2(3) . . ?
C54 C49 C50 115.2(3) . . ?
C54 C49 B1 123.2(3) . . ?
C49 C50 H50 118.9 . . ?
C51 C50 C49 122.2(3) . . ?
C51 C50 H50 118.9 . . ?
C50 C51 C55 119.2(3) . . ?
C52 C51 C50 121.6(3) . . ?
C52 C51 C55 119.2(3) . . ?
C51 C52 H52 121.3 . . ?
C51 C52 C53 117.4(3) . . ?
C53 C52 H52 121.3 . . ?
C52 C53 C54 121.1(3) . . ?
C52 C53 C56 119.5(3) . . ?
C54 C53 C56 119.4(3) . . ?
C49 C54 H54 118.7 . . ?
C53 C54 C49 122.5(3) . . ?
C53 C54 H54 118.7 . . ?
F19 C55 F20 104.6(4) . . ?
F19 C55 F21 105.9(4) . . ?
F19 C55 C51 113.8(4) . . ?
F20 C55 C51 111.8(4) . . ?
F21 C55 F20 107.2(4) . . ?
F21 C55 C51 112.9(4) . . ?
F22 C56 C53 112.5(3) . . ?
F23 C56 F22 107.6(4) . . ?
F23 C56 C53 111.8(3) . . ?
F24 C56 F22 105.9(3) . . ?
F24 C56 F23 105.8(3) . . ?
F24 C56 C53 112.8(3) . . ?
C33 B1 C25 112.1(3) . . ?
C41 B1 C25 102.7(3) . . ?
C41 B1 C33 112.7(3) . . ?
C49 B1 C25 112.8(3) . . ?
C49 B1 C33 103.6(3) . . ?
C49 B1 C41 113.2(3) . . ?
C26' C25' B1' 121.3(3) . . ?
C30' C25' C26' 115.5(3) . . ?
C30' C25' B1' 123.1(3) . . ?
C25' C26' H26' 118.8 . . ?
C27' C26' C25' 122.5(3) . . ?
C27' C26' H26' 118.8 . . ?
C26' C27' C31' 119.2(3) . . ?
C28' C27' C26' 120.9(3) . . ?
C28' C27' C31' 119.9(3) . . ?
C27' C28' H28' 120.9 . . ?
C27' C28' C29' 118.1(3) . . ?
C29' C28' H28' 120.9 . . ?
C28' C29' C30' 120.8(3) . . ?
C28' C29' C32' 119.0(3) . . ?
C30' C29' C32' 120.2(4) . . ?
C25' C30' H30' 118.9 . . ?
C29' C30' C25' 122.2(3) . . ?
C29' C30' H30' 118.9 . . ?
F1' C31' C27' 112.7(3) . . ?
F2' C31' F1' 106.5(4) . . ?
F2' C31' F3' 105.0(3) . . ?
F2' C31' C27' 113.0(3) . . ?
F3' C31' F1' 105.7(3) . . ?
F3' C31' C27' 113.3(3) . . ?
F4' C32' F6' 90.7(4) . . ?
F4' C32' C29' 112.7(4) . . ?
F5' C32' F4' 114.7(6) . . ?
F5' C32' F6' 106.9(6) . . ?
F5' C32' C29' 118.6(5) . . ?
F6' C32' C29' 109.2(4) . . ?
F4B C32' C29' 109.0(4) . . ?
F5B C32' F4B 119.0(11) . . ?
F5B C32' F6B 111.5(11) . . ?
F5B C32' C29' 120.6(8) . . ?
F6B C32' F4B 82.0(6) . . ?
F6B C32' C29' 107.8(5) . . ?
F5D C32' C29' 117.1(8) . . ?
F5C C32' C29' 118.5(8) . . ?
C34' C33' B1' 121.1(3) . . ?
C38' C33' C34' 115.6(3) . . ?
C38' C33' B1' 122.8(3) . . ?
C33' C34' H34' 118.7 . . ?
C35' C34' C33' 122.5(3) . . ?
C35' C34' H34' 118.7 . . ?
C34' C35' C36' 121.1(3) . . ?
C34' C35' C39' 120.4(3) . . ?
C36' C35' C39' 118.4(3) . . ?
C35' C36' H36' 121.2 . . ?
C37' C36' C35' 117.6(3) . . ?
C37' C36' H36' 121.2 . . ?
C36' C37' C38' 121.1(3) . . ?
C36' C37' C40' 120.1(3) . . ?
C38' C37' C40' 118.8(3) . . ?
C33' C38' H38' 119.0 . . ?
C37' C38' C33' 122.0(3) . . ?
C37' C38' H38' 119.0 . . ?
F7' C39' C35' 113.0(3) . . ?
F8' C39' F7' 106.1(3) . . ?
F8' C39' C35' 111.8(3) . . ?
F9' C39' F7' 106.2(3) . . ?
F9' C39' F8' 105.9(4) . . ?
F9' C39' C35' 113.2(3) . . ?
F10' C40' F11' 105.4(3) . . ?
F10' C40' C37' 113.1(3) . . ?
F11' C40' C37' 112.1(3) . . ?
F12' C40' F10' 107.8(3) . . ?
F12' C40' F11' 105.0(3) . . ?
F12' C40' C37' 112.8(3) . . ?
C42' C41' C46' 116.0(3) . . ?
C42' C41' B1' 122.7(3) . . ?
C46' C41' B1' 120.8(3) . . ?
C41' C42' H42' 119.0 . . ?
C41' C42' C43' 122.0(3) . . ?
C43' C42' H42' 119.0 . . ?
C42' C43' C47' 118.8(3) . . ?
C44' C43' C42' 120.6(3) . . ?
C44' C43' C47' 120.6(3) . . ?
C43' C44' H44' 120.8 . . ?
C43' C44' C45' 118.3(3) . . ?
C45' C44' H44' 120.8 . . ?
C44' C45' C46' 120.7(3) . . ?
C44' C45' C48' 121.0(3) . . ?
C46' C45' C48' 118.3(3) . . ?
C41' C46' H46' 118.8 . . ?
C45' C46' C41' 122.4(3) . . ?
C45' C46' H46' 118.8 . . ?
F13' C47' F14' 107.9(3) . . ?
F13' C47' F15' 103.9(3) . . ?
F13' C47' C43' 113.7(3) . . ?
F14' C47' F15' 104.0(3) . . ?
F14' C47' C43' 113.8(3) . . ?
F15' C47' C43' 112.5(3) . . ?
F16' C48' F17' 107.3(3) . . ?
F16' C48' F18' 106.2(3) . . ?
F16' C48' C45' 113.4(3) . . ?
F17' C48' F18' 105.3(3) . . ?
F17' C48' C45' 112.4(3) . . ?
F18' C48' C45' 111.7(3) . . ?
C50' C49' B1' 121.7(3) . . ?
C54' C49' C50' 115.7(3) . . ?
C54' C49' B1' 122.1(3) . . ?
C49' C50' H50' 118.9 . . ?
C51' C50' C49' 122.3(3) . . ?
C51' C50' H50' 118.9 . . ?
C50' C51' C55' 119.2(4) . . ?
C52' C51' C50' 120.7(4) . . ?
C52' C51' C55' 120.0(4) . . ?
C51' C52' H52' 120.9 . . ?
C53' C52' C51' 118.1(4) . . ?
C53' C52' H52' 120.9 . . ?
C52' C53' C54' 120.8(4) . . ?
C52' C53' C56' 120.9(4) . . ?
C54' C53' C56' 118.3(4) . . ?
C49' C54' H54' 118.8 . . ?
C53' C54' C49' 122.4(3) . . ?
C53' C54' H54' 118.8 . . ?
F19' C55' C51' 112.6(4) . . ?
F20' C55' F19' 106.7(5) . . ?
F20' C55' F21' 106.8(4) . . ?
F20' C55' C51' 112.5(4) . . ?
F21' C55' F19' 103.9(4) . . ?
F21' C55' C51' 113.7(4) . . ?
F22' C56' C53' 112.9(4) . . ?
F23' C56' F22' 106.6(3) . . ?
F23' C56' C53' 112.3(3) . . ?
F24' C56' F22' 105.8(4) . . ?
F24' C56' F23' 106.6(4) . . ?
F24' C56' C53' 112.2(3) . . ?
C25' B1' C41' 103.7(3) . . ?
C25' B1' C49' 112.3(3) . . ?
C33' B1' C25' 112.5(3) . . ?
C33' B1' C41' 113.4(3) . . ?
C33' B1' C49' 103.7(3) . . ?
C49' B1' C41' 111.5(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 P1 2.1694(11) . ?
Co1 P2 2.1731(10) . ?
Co1 C1 2.135(4) . ?
Co1 C2 2.098(4) . ?
Co1 C3 2.136(4) . ?
Co1 C4 2.137(4) . ?
Co1 C5 2.122(4) . ?
Co1 C6 2.148(4) . ?
P1 C7 1.824(4) . ?
P1 C9 1.823(4) . ?
P1 C10 1.879(4) . ?
P2 C8 1.830(4) . ?
P2 C14 1.823(4) . ?
P2 C15 1.888(4) . ?
N1 C7 1.321(5) . ?
N1 C19 1.349(5) . ?
N2 C8 1.323(5) . ?
N2 C20 1.361(5) . ?
C1 D1 0.9500 . ?
C1 C2 1.397(6) . ?
C1 C6 1.404(7) . ?
C2 D2 0.9500 . ?
C2 C3 1.412(6) . ?
C3 D3 0.9500 . ?
C3 C4 1.387(6) . ?
C4 D4 0.9500 . ?
C4 C5 1.411(7) . ?
C5 D5 0.9500 . ?
C5 C6 1.423(7) . ?
C6 D6 0.9500 . ?
C7 C8 1.420(5) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 C11 1.550(6) . ?
C10 C12 1.533(5) . ?
C10 C13 1.520(6) . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 C16 1.532(6) . ?
C15 C17 1.533(6) . ?
C15 C18 1.518(6) . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 C20 1.426(5) . ?
C19 C24 1.419(5) . ?
C20 C21 1.412(5) . ?
C21 H21 0.9500 . ?
C21 C22 1.369(5) . ?
C22 H22 0.9500 . ?
C22 C23 1.401(6) . ?
C23 H23 0.9500 . ?
C23 C24 1.364(6) . ?
C24 H24 0.9500 . ?
Co1' P1' 2.1679(11) . ?
Co1' P2' 2.1651(11) . ?
Co1' C1' 2.126(4) . ?
Co1' C2' 2.106(4) . ?
Co1' C3' 2.129(4) . ?
Co1' C4' 2.137(4) . ?
Co1' C5' 2.108(5) . ?
Co1' C6' 2.126(4) . ?
P1' C7' 1.829(3) . ?
P1' C9' 1.819(4) . ?
P1' C10' 1.884(4) . ?
P2' C8' 1.829(4) . ?
P2' C14' 1.817(4) . ?
P2' C15' 1.876(4) . ?
N1' C7' 1.326(5) . ?
N1' C19' 1.370(5) . ?
N2' C8' 1.324(5) . ?
N2' C20' 1.357(5) . ?
C1' D1' 0.9500 . ?
C1' C2' 1.410(7) . ?
C1' C6' 1.372(8) . ?
C2' D2' 0.9500 . ?
C2' C3' 1.414(7) . ?
C3' D3' 0.9500 . ?
C3' C4' 1.377(7) . ?
C4' D4' 0.9500 . ?
C4' C5' 1.408(7) . ?
C5' D5' 0.9500 . ?
C5' C6' 1.424(7) . ?
C6' D6' 0.9500 . ?
C7' C8' 1.408(5) . ?
C9' H9'A 0.9800 . ?
C9' H9'B 0.9800 . ?
C9' H9'C 0.9800 . ?
C10' C11' 1.519(6) . ?
C10' C12' 1.530(6) . ?
C10' C13' 1.531(5) . ?
C11' H11D 0.9800 . ?
C11' H11E 0.9800 . ?
C11' H11F 0.9800 . ?
C12' H12D 0.9800 . ?
C12' H12E 0.9800 . ?
C12' H12F 0.9800 . ?
C13' H13D 0.9800 . ?
C13' H13E 0.9800 . ?
C13' H13F 0.9800 . ?
C14' H14D 0.9800 . ?
C14' H14E 0.9800 . ?
C14' H14F 0.9800 . ?
C15' C16' 1.540(6) . ?
C15' C17' 1.536(6) . ?
C15' C18' 1.529(5) . ?
C16' H16D 0.9800 . ?
C16' H16E 0.9800 . ?
C16' H16F 0.9800 . ?
C17' H17D 0.9800 . ?
C17' H17E 0.9800 . ?
C17' H17F 0.9800 . ?
C18' H18D 0.9800 . ?
C18' H18E 0.9800 . ?
C18' H18F 0.9800 . ?
C19' C20' 1.423(5) . ?
C19' C24' 1.405(5) . ?
C20' C21' 1.419(5) . ?
C21' H21' 0.9500 . ?
C21' C22' 1.349(6) . ?
C22' H22' 0.9500 . ?
C22' C23' 1.407(7) . ?
C23' H23' 0.9500 . ?
C23' C24' 1.371(6) . ?
C24' H24' 0.9500 . ?
F1 C31 1.378(10) . ?
F2 C31 1.387(12) . ?
F3 C31 1.269(13) . ?
F4 C32 1.326(5) . ?
F5 C32 1.318(5) . ?
F6 C32 1.319(5) . ?
F7 C39 1.360(5) . ?
F8 C39 1.328(5) . ?
F9 C39 1.310(5) . ?
F10 C40 1.326(4) . ?
F11 C40 1.331(4) . ?
F12 C40 1.332(4) . ?
F13 C47 1.287(14) . ?
F14 C47 1.298(18) . ?
F15 C47 1.275(17) . ?
F16 C48 1.326(5) . ?
F17 C48 1.338(5) . ?
F18 C48 1.339(5) . ?
F19 C55 1.314(5) . ?
F20 C55 1.331(6) . ?
F21 C55 1.330(5) . ?
F22 C56 1.332(5) . ?
F23 C56 1.324(5) . ?
F24 C56 1.322(5) . ?
C25 C26 1.399(5) . ?
C25 C30 1.392(5) . ?
C25 B1 1.642(5) . ?
C26 H26 0.9500 . ?
C26 C27 1.389(6) . ?
C27 C28 1.380(6) . ?
C27 C31 1.501(6) . ?
C28 H28 0.9500 . ?
C28 C29 1.378(6) . ?
C29 C30 1.406(5) . ?
C29 C32 1.486(6) . ?
C30 H30 0.9500 . ?
C31 F3A 1.427(13) . ?
C31 F1A 1.292(10) . ?
C31 F2A 1.254(15) . ?
C33 C34 1.388(5) . ?
C33 C38 1.404(5) . ?
C33 B1 1.639(5) . ?
C34 H34 0.9500 . ?
C34 C35 1.393(5) . ?
C35 C36 1.380(5) . ?
C35 C39 1.490(5) . ?
C36 H36 0.9500 . ?
C36 C37 1.381(5) . ?
C37 C38 1.395(5) . ?
C37 C40 1.498(5) . ?
C38 H38 0.9500 . ?
C41 C42 1.407(5) . ?
C41 C46 1.399(5) . ?
C41 B1 1.638(5) . ?
C42 H42 0.9500 . ?
C42 C43 1.384(5) . ?
C43 C44 1.391(5) . ?
C43 C47 1.498(5) . ?
C44 H44 0.9500 . ?
C44 C45 1.378(5) . ?
C45 C46 1.391(5) . ?
C45 C48 1.495(5) . ?
C46 H46 0.9500 . ?
C47 F14A 1.322(6) . ?
C47 F15A 1.329(6) . ?
C47 F13A 1.331(6) . ?
C49 C50 1.400(5) . ?
C49 C54 1.399(5) . ?
C49 B1 1.636(5) . ?
C50 H50 0.9500 . ?
C50 C51 1.387(5) . ?
C51 C52 1.377(5) . ?
C51 C55 1.497(5) . ?
C52 H52 0.9500 . ?
C52 C53 1.386(5) . ?
C53 C54 1.386(5) . ?
C53 C56 1.504(5) . ?
C54 H54 0.9500 . ?
F1' C31' 1.324(4) . ?
F2' C31' 1.309(5) . ?
F3' C31' 1.323(5) . ?
F7' C39' 1.342(4) . ?
F8' C39' 1.327(5) . ?
F9' C39' 1.325(5) . ?
F10' C40' 1.329(4) . ?
F11' C40' 1.347(5) . ?
F12' C40' 1.323(5) . ?
F13' C47' 1.324(5) . ?
F14' C47' 1.326(5) . ?
F15' C47' 1.345(5) . ?
F16' C48' 1.335(4) . ?
F17' C48' 1.337(5) . ?
F18' C48' 1.352(5) . ?
F19' C55' 1.328(5) . ?
F20' C55' 1.310(6) . ?
F21' C55' 1.326(6) . ?
F22' C56' 1.334(5) . ?
F23' C56' 1.333(5) . ?
F24' C56' 1.332(5) . ?
F4' C32' 1.367(6) . ?
F5' C32' 1.216(7) . ?
F6' C32' 1.417(6) . ?
F4B C32' 1.449(8) . ?
F5B C32' 1.154(13) . ?
F6B C32' 1.443(9) . ?
F5D C32' 1.242(14) . ?
F5C C32' 1.199(13) . ?
C25' C26' 1.401(5) . ?
C25' C30' 1.400(5) . ?
C25' B1' 1.634(5) . ?
C26' H26' 0.9500 . ?
C26' C27' 1.385(5) . ?
C27' C28' 1.381(5) . ?
C27' C31' 1.496(5) . ?
C28' H28' 0.9500 . ?
C28' C29' 1.386(5) . ?
C29' C30' 1.390(5) . ?
C29' C32' 1.495(5) . ?
C30' H30' 0.9500 . ?
C33' C34' 1.404(5) . ?
C33' C38' 1.396(5) . ?
C33' B1' 1.634(5) . ?
C34' H34' 0.9500 . ?
C34' C35' 1.381(5) . ?
C35' C36' 1.387(5) . ?
C35' C39' 1.498(5) . ?
C36' H36' 0.9500 . ?
C36' C37' 1.386(5) . ?
C37' C38' 1.396(5) . ?
C37' C40' 1.496(5) . ?
C38' H38' 0.9500 . ?
C41' C42' 1.396(5) . ?
C41' C46' 1.397(5) . ?
C41' B1' 1.640(5) . ?
C42' H42' 0.9500 . ?
C42' C43' 1.398(5) . ?
C43' C44' 1.384(5) . ?
C43' C47' 1.485(5) . ?
C44' H44' 0.9500 . ?
C44' C45' 1.385(5) . ?
C45' C46' 1.388(5) . ?
C45' C48' 1.496(5) . ?
C46' H46' 0.9500 . ?
C49' C50' 1.402(5) . ?
C49' C54' 1.399(5) . ?
C49' B1' 1.637(5) . ?
C50' H50' 0.9500 . ?
C50' C51' 1.395(5) . ?
C51' C52' 1.390(6) . ?
C51' C55' 1.487(6) . ?
C52' H52' 0.9500 . ?
C52' C53' 1.385(6) . ?
C53' C54' 1.395(5) . ?
C53' C56' 1.501(6) . ?
C54' H54' 0.9500 . ?
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 P1 C7 N1 176.3(3) . . . . ?
Co1 P1 C7 C8 -7.3(3) . . . . ?
Co1 P1 C10 C11 -175.1(3) . . . . ?
Co1 P1 C10 C12 -56.4(3) . . . . ?
Co1 P1 C10 C13 63.2(3) . . . . ?
Co1 P2 C8 N2 178.1(3) . . . . ?
Co1 P2 C8 C7 -5.3(3) . . . . ?
Co1 P2 C15 C16 -57.5(3) . . . . ?
Co1 P2 C15 C17 -176.6(2) . . . . ?
Co1 P2 C15 C18 61.9(3) . . . . ?
Co1 C1 C2 C3 -54.1(3) . . . . ?
Co1 C1 C6 C5 51.5(4) . . . . ?
Co1 C2 C3 C4 -52.6(3) . . . . ?
Co1 C3 C4 C5 -52.1(3) . . . . ?
Co1 C4 C5 C6 -53.7(4) . . . . ?
Co1 C5 C6 C1 -51.9(4) . . . . ?
P1 C7 C8 P2 8.1(4) . . . . ?
P1 C7 C8 N2 -175.3(3) . . . . ?
N1 C7 C8 P2 -175.4(3) . . . . ?
N1 C7 C8 N2 1.2(5) . . . . ?
N1 C19 C20 N2 -1.9(5) . . . . ?
N1 C19 C20 C21 177.1(3) . . . . ?
N1 C19 C24 C23 -177.5(4) . . . . ?
N2 C20 C21 C22 179.9(3) . . . . ?
C1 C2 C3 Co1 54.1(3) . . . . ?
C1 C2 C3 C4 1.5(6) . . . . ?
C2 C1 C6 Co1 -52.1(3) . . . . ?
C2 C1 C6 C5 -0.6(6) . . . . ?
C2 C3 C4 Co1 51.7(3) . . . . ?
C2 C3 C4 C5 -0.5(6) . . . . ?
C3 C4 C5 Co1 52.6(3) . . . . ?
C3 C4 C5 C6 -1.1(6) . . . . ?
C4 C5 C6 Co1 53.5(4) . . . . ?
C4 C5 C6 C1 1.6(6) . . . . ?
C6 C1 C2 Co1 53.1(3) . . . . ?
C6 C1 C2 C3 -1.0(6) . . . . ?
C7 P1 C10 C11 63.9(3) . . . . ?
C7 P1 C10 C12 -177.5(3) . . . . ?
C7 P1 C10 C13 -57.9(3) . . . . ?
C7 N1 C19 C20 1.2(5) . . . . ?
C7 N1 C19 C24 -178.7(3) . . . . ?
C8 P2 C15 C16 -177.8(3) . . . . ?
C8 P2 C15 C17 63.1(3) . . . . ?
C8 P2 C15 C18 -58.4(3) . . . . ?
C8 N2 C20 C19 2.1(5) . . . . ?
C8 N2 C20 C21 -176.9(3) . . . . ?
C9 P1 C7 N1 54.1(3) . . . . ?
C9 P1 C7 C8 -129.4(3) . . . . ?
C9 P1 C10 C11 -43.8(3) . . . . ?
C9 P1 C10 C12 74.8(3) . . . . ?
C9 P1 C10 C13 -165.6(3) . . . . ?
C10 P1 C7 N1 -54.9(3) . . . . ?
C10 P1 C7 C8 121.5(3) . . . . ?
C14 P2 C8 N2 54.9(3) . . . . ?
C14 P2 C8 C7 -128.5(3) . . . . ?
C14 P2 C15 C16 74.4(3) . . . . ?
C14 P2 C15 C17 -44.7(3) . . . . ?
C14 P2 C15 C18 -166.2(3) . . . . ?
C15 P2 C8 N2 -54.4(3) . . . . ?
C15 P2 C8 C7 122.2(3) . . . . ?
C19 N1 C7 P1 175.4(3) . . . . ?
C19 N1 C7 C8 -0.8(5) . . . . ?
C19 C20 C21 C22 0.9(5) . . . . ?
C20 N2 C8 P2 174.7(3) . . . . ?
C20 N2 C8 C7 -1.7(5) . . . . ?
C20 C19 C24 C23 2.6(6) . . . . ?
C20 C21 C22 C23 1.7(6) . . . . ?
C21 C22 C23 C24 -2.2(6) . . . . ?
C22 C23 C24 C19 0.0(6) . . . . ?
C24 C19 C20 N2 178.0(3) . . . . ?
C24 C19 C20 C21 -3.1(5) . . . . ?
Co1' P1' C7' N1' 177.3(3) . . . . ?
Co1' P1' C7' C8' -6.7(3) . . . . ?
Co1' P1' C10' C11' 174.1(3) . . . . ?
Co1' P1' C10' C12' -65.5(3) . . . . ?
Co1' P1' C10' C13' 53.6(3) . . . . ?
Co1' P2' C8' N2' 175.2(3) . . . . ?
Co1' P2' C8' C7' -5.3(3) . . . . ?
Co1' P2' C15' C16' -63.3(3) . . . . ?
Co1' P2' C15' C17' 175.9(3) . . . . ?
Co1' P2' C15' C18' 55.2(3) . . . . ?
Co1' C1' C2' C3' -53.8(4) . . . . ?
Co1' C1' C6' C5' 51.8(4) . . . . ?
Co1' C2' C3' C4' -52.6(4) . . . . ?
Co1' C3' C4' C5' -51.7(4) . . . . ?
Co1' C4' C5' C6' -53.7(4) . . . . ?
Co1' C5' C6' C1' -52.5(4) . . . . ?
P1' C7' C8' P2' 7.7(4) . . . . ?
P1' C7' C8' N2' -172.8(3) . . . . ?
N1' C7' C8' P2' -176.4(3) . . . . ?
N1' C7' C8' N2' 3.1(6) . . . . ?
N1' C19' C20' N2' 1.2(5) . . . . ?
N1' C19' C20' C21' -179.6(3) . . . . ?
N1' C19' C24' C23' 179.5(4) . . . . ?
N2' C20' C21' C22' -179.9(4) . . . . ?
C1' C2' C3' Co1' 53.8(4) . . . . ?
C1' C2' C3' C4' 1.2(6) . . . . ?
C2' C1' C6' Co1' -52.1(4) . . . . ?
C2' C1' C6' C5' -0.3(6) . . . . ?
C2' C3' C4' Co1' 51.7(4) . . . . ?
C2' C3' C4' C5' 0.0(6) . . . . ?
C3' C4' C5' Co1' 52.3(4) . . . . ?
C3' C4' C5' C6' -1.4(6) . . . . ?
C4' C5' C6' Co1' 54.0(4) . . . . ?
C4' C5' C6' C1' 1.6(6) . . . . ?
C6' C1' C2' Co1' 52.8(4) . . . . ?
C6' C1' C2' C3' -1.1(6) . . . . ?
C7' P1' C10' C11' 53.4(3) . . . . ?
C7' P1' C10' C12' 173.8(3) . . . . ?
C7' P1' C10' C13' -67.1(3) . . . . ?
C7' N1' C19' C20' 0.7(5) . . . . ?
C7' N1' C19' C24' -176.6(4) . . . . ?
C8' P2' C15' C16' 174.8(3) . . . . ?
C8' P2' C15' C17' 53.9(3) . . . . ?
C8' P2' C15' C18' -66.8(3) . . . . ?
C8' N2' C20' C19' -1.0(5) . . . . ?
C8' N2' C20' C21' 179.9(4) . . . . ?
C9' P1' C7' N1' 53.2(3) . . . . ?
C9' P1' C7' C8' -130.9(3) . . . . ?
C9' P1' C10' C11' -54.7(3) . . . . ?
C9' P1' C10' C12' 65.7(3) . . . . ?
C9' P1' C10' C13' -175.2(3) . . . . ?
C10' P1' C7' N1' -55.8(3) . . . . ?
C10' P1' C7' C8' 120.1(3) . . . . ?
C14' P2' C8' N2' 52.4(3) . . . . ?
C14' P2' C8' C7' -128.1(3) . . . . ?
C14' P2' C15' C16' 68.4(3) . . . . ?
C14' P2' C15' C17' -52.5(3) . . . . ?
C14' P2' C15' C18' -173.1(3) . . . . ?
C15' P2' C8' N2' -56.6(3) . . . . ?
C15' P2' C8' C7' 122.9(3) . . . . ?
C19' N1' C7' P1' 173.0(3) . . . . ?
C19' N1' C7' C8' -2.7(5) . . . . ?
C19' C20' C21' C22' 0.9(6) . . . . ?
C20' N2' C8' P2' 178.4(3) . . . . ?
C20' N2' C8' C7' -1.0(5) . . . . ?
C20' C19' C24' C23' 2.2(6) . . . . ?
C20' C21' C22' C23' 0.6(7) . . . . ?
C21' C22' C23' C24' -0.8(7) . . . . ?
C22' C23' C24' C19' -0.7(7) . . . . ?
C24' C19' C20' N2' 178.5(4) . . . . ?
C24' C19' C20' C21' -2.3(5) . . . . ?
C25 C26 C27 C28 0.1(6) . . . . ?
C25 C26 C27 C31 -176.7(4) . . . . ?
C26 C25 C30 C29 -0.9(5) . . . . ?
C26 C25 B1 C33 156.1(3) . . . . ?
C26 C25 B1 C41 -82.6(4) . . . . ?
C26 C25 B1 C49 39.6(4) . . . . ?
C26 C27 C28 C29 -0.9(6) . . . . ?
C26 C27 C31 F1 63.2(13) . . . . ?
C26 C27 C31 F2 -46.3(9) . . . . ?
C26 C27 C31 F3 -169.7(13) . . . . ?
C26 C27 C31 F3A -151.7(8) . . . . ?
C26 C27 C31 F1A 100.7(16) . . . . ?
C26 C27 C31 F2A -34.9(15) . . . . ?
C27 C28 C29 C30 0.8(5) . . . . ?
C27 C28 C29 C32 -179.7(4) . . . . ?
C28 C27 C31 F1 -113.7(13) . . . . ?
C28 C27 C31 F2 136.9(8) . . . . ?
C28 C27 C31 F3 13.4(14) . . . . ?
C28 C27 C31 F3A 31.5(9) . . . . ?
C28 C27 C31 F1A -76.1(16) . . . . ?
C28 C27 C31 F2A 148.2(14) . . . . ?
C28 C29 C30 C25 0.1(5) . . . . ?
C28 C29 C32 F4 -0.5(5) . . . . ?
C28 C29 C32 F5 -120.1(4) . . . . ?
C28 C29 C32 F6 117.9(5) . . . . ?
C30 C25 C26 C27 0.8(5) . . . . ?
C30 C25 B1 C33 -31.6(4) . . . . ?
C30 C25 B1 C41 89.6(4) . . . . ?
C30 C25 B1 C49 -148.1(3) . . . . ?
C30 C29 C32 F4 179.0(3) . . . . ?
C30 C29 C32 F5 59.4(5) . . . . ?
C30 C29 C32 F6 -62.6(5) . . . . ?
C31 C27 C28 C29 175.8(4) . . . . ?
C32 C29 C30 C25 -179.4(3) . . . . ?
C33 C34 C35 C36 0.8(5) . . . . ?
C33 C34 C35 C39 -177.5(3) . . . . ?
C34 C33 C38 C37 0.9(5) . . . . ?
C34 C33 B1 C25 -36.6(4) . . . . ?
C34 C33 B1 C41 -151.9(3) . . . . ?
C34 C33 B1 C49 85.3(4) . . . . ?
C34 C35 C36 C37 0.8(5) . . . . ?
C34 C35 C39 F7 -52.5(5) . . . . ?
C34 C35 C39 F8 65.0(5) . . . . ?
C34 C35 C39 F9 -170.3(3) . . . . ?
C35 C36 C37 C38 -1.5(5) . . . . ?
C35 C36 C37 C40 177.4(3) . . . . ?
C36 C35 C39 F7 129.2(4) . . . . ?
C36 C35 C39 F8 -113.2(4) . . . . ?
C36 C35 C39 F9 11.4(6) . . . . ?
C36 C37 C38 C33 0.6(5) . . . . ?
C36 C37 C40 F10 12.6(5) . . . . ?
C36 C37 C40 F11 134.1(3) . . . . ?
C36 C37 C40 F12 -107.7(4) . . . . ?
C38 C33 C34 C35 -1.6(5) . . . . ?
C38 C33 B1 C25 149.9(3) . . . . ?
C38 C33 B1 C41 34.6(4) . . . . ?
C38 C33 B1 C49 -88.2(4) . . . . ?
C38 C37 C40 F10 -168.5(3) . . . . ?
C38 C37 C40 F11 -47.1(4) . . . . ?
C38 C37 C40 F12 71.1(4) . . . . ?
C39 C35 C36 C37 179.0(3) . . . . ?
C40 C37 C38 C33 -178.2(3) . . . . ?
C41 C42 C43 C44 1.0(6) . . . . ?
C41 C42 C43 C47 -177.0(3) . . . . ?
C42 C41 C46 C45 -1.4(5) . . . . ?
C42 C41 B1 C25 -79.7(4) . . . . ?
C42 C41 B1 C33 41.2(4) . . . . ?
C42 C41 B1 C49 158.4(3) . . . . ?
C42 C43 C44 C45 -0.9(6) . . . . ?
C42 C43 C47 F13 -56.9(15) . . . . ?
C42 C43 C47 F14 -171.4(16) . . . . ?
C42 C43 C47 F15 66(2) . . . . ?
C42 C43 C47 F14A -140.8(6) . . . . ?
C42 C43 C47 F15A 100.5(5) . . . . ?
C42 C43 C47 F13A -17.1(8) . . . . ?
C43 C44 C45 C46 -0.4(6) . . . . ?
C43 C44 C45 C48 179.3(3) . . . . ?
C44 C43 C47 F13 125.1(15) . . . . ?
C44 C43 C47 F14 10.5(17) . . . . ?
C44 C43 C47 F15 -112(2) . . . . ?
C44 C43 C47 F14A 41.2(7) . . . . ?
C44 C43 C47 F15A -77.5(6) . . . . ?
C44 C43 C47 F13A 164.9(6) . . . . ?
C44 C45 C46 C41 1.5(6) . . . . ?
C44 C45 C48 F16 -1.8(5) . . . . ?
C44 C45 C48 F17 -121.4(4) . . . . ?
C44 C45 C48 F18 119.3(4) . . . . ?
C46 C41 C42 C43 0.2(5) . . . . ?
C46 C41 B1 C25 92.7(4) . . . . ?
C46 C41 B1 C33 -146.5(3) . . . . ?
C46 C41 B1 C49 -29.3(5) . . . . ?
C46 C45 C48 F16 177.9(3) . . . . ?
C46 C45 C48 F17 58.2(5) . . . . ?
C46 C45 C48 F18 -61.0(5) . . . . ?
C47 C43 C44 C45 177.2(4) . . . . ?
C48 C45 C46 C41 -178.1(3) . . . . ?
C49 C50 C51 C52 1.4(6) . . . . ?
C49 C50 C51 C55 179.9(4) . . . . ?
C50 C49 C54 C53 1.3(5) . . . . ?
C50 C49 B1 C25 -154.6(3) . . . . ?
C50 C49 B1 C33 83.9(4) . . . . ?
C50 C49 B1 C41 -38.5(4) . . . . ?
C50 C51 C52 C53 0.0(6) . . . . ?
C50 C51 C55 F19 39.8(6) . . . . ?
C50 C51 C55 F20 -78.4(5) . . . . ?
C50 C51 C55 F21 160.6(4) . . . . ?
C51 C52 C53 C54 -0.6(6) . . . . ?
C51 C52 C53 C56 178.9(4) . . . . ?
C52 C51 C55 F19 -141.6(4) . . . . ?
C52 C51 C55 F20 100.2(5) . . . . ?
C52 C51 C55 F21 -20.8(6) . . . . ?
C52 C53 C54 C49 0.0(6) . . . . ?
C52 C53 C56 F22 8.9(5) . . . . ?
C52 C53 C56 F23 -112.3(4) . . . . ?
C52 C53 C56 F24 128.6(4) . . . . ?
C54 C49 C50 C51 -1.9(5) . . . . ?
C54 C49 B1 C25 33.0(5) . . . . ?
C54 C49 B1 C33 -88.4(4) . . . . ?
C54 C49 B1 C41 149.1(3) . . . . ?
C54 C53 C56 F22 -171.5(4) . . . . ?
C54 C53 C56 F23 67.2(5) . . . . ?
C54 C53 C56 F24 -51.8(5) . . . . ?
C55 C51 C52 C53 -178.6(4) . . . . ?
C56 C53 C54 C49 -179.5(3) . . . . ?
B1 C25 C26 C27 173.6(3) . . . . ?
B1 C25 C30 C29 -173.5(3) . . . . ?
B1 C33 C34 C35 -175.5(3) . . . . ?
B1 C33 C38 C37 174.7(3) . . . . ?
B1 C41 C42 C43 173.1(3) . . . . ?
B1 C41 C46 C45 -174.1(3) . . . . ?
B1 C49 C50 C51 -174.9(3) . . . . ?
B1 C49 C54 C53 174.1(3) . . . . ?
C25' C26' C27' C28' -1.1(5) . . . . ?
C25' C26' C27' C31' 177.8(3) . . . . ?
C26' C25' C30' C29' -2.2(5) . . . . ?
C26' C25' B1' C33' 155.3(3) . . . . ?
C26' C25' B1' C41' -81.8(4) . . . . ?
C26' C25' B1' C49' 38.7(4) . . . . ?
C26' C27' C28' C29' -1.1(5) . . . . ?
C26' C27' C31' F1' 44.6(5) . . . . ?
C26' C27' C31' F2' -76.2(4) . . . . ?
C26' C27' C31' F3' 164.5(3) . . . . ?
C27' C28' C29' C30' 1.5(5) . . . . ?
C27' C28' C29' C32' -178.1(3) . . . . ?
C28' C27' C31' F1' -136.5(4) . . . . ?
C28' C27' C31' F2' 102.7(4) . . . . ?
C28' C27' C31' F3' -16.6(5) . . . . ?
C28' C29' C30' C25' 0.2(5) . . . . ?
C28' C29' C32' F4' -45.9(6) . . . . ?
C28' C29' C32' F5' 176.0(7) . . . . ?
C28' C29' C32' F6' 53.3(5) . . . . ?
C28' C29' C32' F4B -137.8(5) . . . . ?
C28' C29' C32' F5B 5.3(16) . . . . ?
C28' C29' C32' F6B 134.7(6) . . . . ?
C28' C29' C32' F5D -94.6(13) . . . . ?
C28' C29' C32' F5C 98.9(13) . . . . ?
C30' C25' C26' C27' 2.7(5) . . . . ?
C30' C25' B1' C33' -30.2(4) . . . . ?
C30' C25' B1' C41' 92.6(4) . . . . ?
C30' C25' B1' C49' -146.9(3) . . . . ?
C30' C29' C32' F4' 134.5(4) . . . . ?
C30' C29' C32' F5' -3.6(8) . . . . ?
C30' C29' C32' F6' -126.3(5) . . . . ?
C30' C29' C32' F4B 42.6(6) . . . . ?
C30' C29' C32' F5B -174.3(15) . . . . ?
C30' C29' C32' F6B -44.9(7) . . . . ?
C30' C29' C32' F5D 85.8(13) . . . . ?
C30' C29' C32' F5C -80.7(14) . . . . ?
C31' C27' C28' C29' -180.0(3) . . . . ?
C32' C29' C30' C25' 179.8(3) . . . . ?
C33' C34' C35' C36' 0.9(6) . . . . ?
C33' C34' C35' C39' -177.0(3) . . . . ?
C34' C33' C38' C37' 1.6(5) . . . . ?
C34' C33' B1' C25' -39.3(4) . . . . ?
C34' C33' B1' C41' -156.6(3) . . . . ?
C34' C33' B1' C49' 82.4(4) . . . . ?
C34' C35' C36' C37' -0.5(5) . . . . ?
C34' C35' C39' F7' -27.3(5) . . . . ?
C34' C35' C39' F8' 92.4(4) . . . . ?
C34' C35' C39' F9' -148.1(4) . . . . ?
C35' C36' C37' C38' 0.7(5) . . . . ?
C35' C36' C37' C40' 179.7(3) . . . . ?
C36' C35' C39' F7' 154.8(3) . . . . ?
C36' C35' C39' F8' -85.6(5) . . . . ?
C36' C35' C39' F9' 34.0(5) . . . . ?
C36' C37' C38' C33' -1.3(6) . . . . ?
C36' C37' C40' F10' 21.0(5) . . . . ?
C36' C37' C40' F11' 140.0(4) . . . . ?
C36' C37' C40' F12' -101.7(4) . . . . ?
C38' C33' C34' C35' -1.4(5) . . . . ?
C38' C33' B1' C25' 149.8(3) . . . . ?
C38' C33' B1' C41' 32.5(5) . . . . ?
C38' C33' B1' C49' -88.5(4) . . . . ?
C38' C37' C40' F10' -160.0(4) . . . . ?
C38' C37' C40' F11' -41.0(5) . . . . ?
C38' C37' C40' F12' 77.3(5) . . . . ?
C39' C35' C36' C37' 177.5(3) . . . . ?
C40' C37' C38' C33' 179.7(3) . . . . ?
C41' C42' C43' C44' -1.3(5) . . . . ?
C41' C42' C43' C47' -179.2(3) . . . . ?
C42' C41' C46' C45' -0.8(5) . . . . ?
C42' C41' B1' C25' -86.1(4) . . . . ?
C42' C41' B1' C33' 36.3(5) . . . . ?
C42' C41' B1' C49' 152.8(3) . . . . ?
C42' C43' C44' C45' -0.5(5) . . . . ?
C42' C43' C47' F13' -59.5(5) . . . . ?
C42' C43' C47' F14' 176.3(3) . . . . ?
C42' C43' C47' F15' 58.2(5) . . . . ?
C43' C44' C45' C46' 1.5(5) . . . . ?
C43' C44' C45' C48' -178.5(3) . . . . ?
C44' C43' C47' F13' 122.6(4) . . . . ?
C44' C43' C47' F14' -1.6(5) . . . . ?
C44' C43' C47' F15' -119.7(4) . . . . ?
C44' C45' C46' C41' -0.9(5) . . . . ?
C44' C45' C48' F16' 13.6(5) . . . . ?
C44' C45' C48' F17' -108.4(4) . . . . ?
C44' C45' C48' F18' 133.5(4) . . . . ?
C46' C41' C42' C43' 1.9(5) . . . . ?
C46' C41' B1' C25' 85.6(4) . . . . ?
C46' C41' B1' C33' -152.0(3) . . . . ?
C46' C41' B1' C49' -35.5(4) . . . . ?
C46' C45' C48' F16' -166.4(3) . . . . ?
C46' C45' C48' F17' 71.6(4) . . . . ?
C46' C45' C48' F18' -46.5(5) . . . . ?
C47' C43' C44' C45' 177.4(3) . . . . ?
C48' C45' C46' C41' 179.1(3) . . . . ?
C49' C50' C51' C52' -0.8(6) . . . . ?
C49' C50' C51' C55' 176.6(3) . . . . ?
C50' C49' C54' C53' 1.4(5) . . . . ?
C50' C49' B1' C25' -157.5(3) . . . . ?
C50' C49' B1' C33' 80.7(4) . . . . ?
C50' C49' B1' C41' -41.6(4) . . . . ?
C50' C51' C52' C53' 1.1(6) . . . . ?
C50' C51' C55' F19' 47.6(6) . . . . ?
C50' C51' C55' F20' -73.0(5) . . . . ?
C50' C51' C55' F21' 165.4(4) . . . . ?
C51' C52' C53' C54' -0.2(6) . . . . ?
C51' C52' C53' C56' -179.0(4) . . . . ?
C52' C51' C55' F19' -135.1(4) . . . . ?
C52' C51' C55' F20' 104.3(5) . . . . ?
C52' C51' C55' F21' -17.3(6) . . . . ?
C52' C53' C54' C49' -1.1(6) . . . . ?
C52' C53' C56' F22' -18.0(5) . . . . ?
C52' C53' C56' F23' -138.6(4) . . . . ?
C52' C53' C56' F24' 101.4(4) . . . . ?
C54' C49' C50' C51' -0.5(5) . . . . ?
C54' C49' B1' C25' 30.8(4) . . . . ?
C54' C49' B1' C33' -91.0(4) . . . . ?
C54' C49' B1' C41' 146.7(3) . . . . ?
C54' C53' C56' F22' 163.2(4) . . . . ?
C54' C53' C56' F23' 42.6(5) . . . . ?
C54' C53' C56' F24' -77.4(5) . . . . ?
C55' C51' C52' C53' -176.2(4) . . . . ?
C56' C53' C54' C49' 177.7(3) . . . . ?
B1' C25' C26' C27' 177.5(3) . . . . ?
B1' C25' C30' C29' -176.9(3) . . . . ?
B1' C33' C34' C35' -172.9(3) . . . . ?
B1' C33' C38' C37' 172.9(3) . . . . ?
B1' C41' C42' C43' 174.0(3) . . . . ?
B1' C41' C46' C45' -173.1(3) . . . . ?
B1' C49' C50' C51' -172.7(3) . . . . ?
B1' C49' C54' C53' 173.6(3) . . . . ?
