##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in Acta     #
# Crystallographica Section E. It conforms to the requirements of Notes      #
# for Authors for Section E, and has been peer reviewed under the auspices   #
# of the IUCr Commission on Journals.                                        #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic. The current version number is 2.1.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
# cif/home.html                                                              #
#                                                                            #
#            Copyright International Union of Crystallography                #
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##############################################################################
                                             
data_global
_audit_creation_method     SHELXL-97
_journal_date_recd_electronic     2007-08-31
_journal_date_accepted     2007-09-14
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2007
_journal_volume     63
_journal_issue     10
_journal_page_first     m2590
_journal_page_last     m2590
_journal_paper_category     QM
_journal_coeditor_code     DN2225
_publ_contact_author_name     'Dr. Xiaoyan Li'
_publ_contact_author_address
;
School of Chemistry and Chemical Engineering
Shandong University
Shanda Nanlu 27
Jinan 250100
PR China
;
_publ_contact_author_email     xli63@sdu.edu.cn
_publ_contact_author_fax     '0086-531-8564464'
_publ_contact_author_phone     '0086-531-8361331'
_publ_section_title
;
(2-Formyl-4-phenylcyclohexen-1-olato-
cis-dimethyl-trans-bis(trimethylphosphine)cobalt(III)
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    ' Fang, Shimin ' .
;
School of Chemistry and Chemical Engineering
Shandong University
Shanda Nanlu 27
Jinan 250100
People's Republic of China
;
    'Zhou, Jin' .
;
School of Chemistry and Chemical Engineering
Shandong University
Shanda Nanlu 27
Jinan 250100
People's Republic of China
;
    'Sun, Hongjian' .
;
School of Chemistry and Chemical Engineering
Shandong University
Shanda Nanlu 27
Jinan 250100
People's Republic of China
;
    'Li, Xiaoyan' .
;
School of Chemistry and Chemical Engineering
Shandong University
Shanda Nanlu 27
Jinan 250100
People's Republic of China
;
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
(2-Formyl-4-phenylcyclohexen-1-olato-
cis-dimethyl-trans-bis(trimethylphosphine)cobalt(III)
;
_chemical_name_common     ?
_chemical_formula_moiety     'C21 H37 Co O2 P2'
_chemical_formula_sum     'C21 H37 Co O2 P2'
_chemical_formula_iupac     '[Co (C H3)2 (C13 H13 O2) (C3 H9 P)2]'
_chemical_formula_weight     442.38
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     14.109(3)
_cell_length_b     9.2740(19)
_cell_length_c     19.577(4)
_cell_angle_alpha     90.00
_cell_angle_beta     106.94(3)
_cell_angle_gamma     90.00
_cell_volume     2450.4(10)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     4681
_cell_measurement_theta_min     2.31
_cell_measurement_theta_max     24.34
_cell_measurement_temperature     423(2)
_exptl_crystal_description     block
_exptl_crystal_colour     red
_exptl_crystal_size_max     0.32
_exptl_crystal_size_mid     0.20
_exptl_crystal_size_min     0.12
_exptl_crystal_density_diffrn     1.199
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     944
_exptl_absorpt_coefficient_mu     0.842
_exptl_absorpt_correction_type     'multi-scan'
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.7744
_exptl_absorpt_correction_T_max     0.9057
_exptl_special_details
;
 ?
;
_diffrn_ambient_temperature     423(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'CCD area-detector'
_diffrn_measurement_method     'φ and ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     15313
_diffrn_reflns_av_R_equivalents     0.0561
_diffrn_reflns_av_sigmaI/netI     0.0363
_diffrn_reflns_theta_min     1.51
_diffrn_reflns_theta_max     25.00
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.997
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -16
_diffrn_reflns_limit_h_max     16
_diffrn_reflns_limit_k_min     -10
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     -23
_diffrn_reflns_limit_l_max     23
_diffrn_standards_number     ?
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;
_reflns_number_total     4287
_reflns_number_gt     3853
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0652
_refine_ls_R_factor_gt     0.0605
_refine_ls_wR_factor_gt     0.1661
_refine_ls_wR_factor_ref     0.1705
_refine_ls_goodness_of_fit_ref     1.045
_refine_ls_restrained_S_all     1.044
_refine_ls_number_reflns     4287
_refine_ls_number_parameters     249
_refine_ls_number_restraints     11
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0921P)²+3.5216P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.008
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     1.676
_refine_diff_density_min     -0.851
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
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'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'P' 'P' 0.1023 0.0942
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Co' 'Co' 0.3494 0.9721
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Bruker, 1997)'
_computing_cell_refinement     'SAINT (Bruker, 1997)'
_computing_data_reduction     'SAINT (Bruker, 1997)'
_computing_structure_solution     'SHELXS-97 (Sheldrick, 1997)'
_computing_structure_refinement     'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics
      'ORTEPIII (Burnett & Johnson, 1996); ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material     'SHELXTL (Bruker, 2000)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    C C1 0.3655(3) 0.6037(5) 0.2286(2) 0.0656(13) Uani d . 1 . .
    H H1 0.4182 0.5404 0.2333 0.079 Uiso calc R 1 . .
    C C2 0.3761(3) 0.7006(4) 0.2847(2) 0.0507(9) Uani d D 1 . .
    C C3 0.3028(3) 0.8021(4) 0.28556(19) 0.0443(8) Uani d D 1 A .
    C C4A 0.3159(10) 0.8974(17) 0.3510(6) 0.0588(14) Uani d PD 0.50 A 1
    H H4A1 0.2780 0.8565 0.3805 0.071 Uiso calc PR 0.50 A 1
    H H4A2 0.2884 0.9918 0.3354 0.071 Uiso calc PR 0.50 A 1
    C C5A 0.4261(6) 0.9165(10) 0.3979(5) 0.0588(14) Uani d PD 0.50 A 1
    H H5A1 0.4636 0.9709 0.3723 0.071 Uiso calc PR 0.50 A 1
    H H5A2 0.4291 0.9667 0.4419 0.071 Uiso calc PR 0.50 A 1
    C C6A 0.4676(7) 0.7631(11) 0.4136(5) 0.050(2) Uani d PD 0.50 A 1
    H H6A 0.4249 0.7052 0.4344 0.059 Uiso calc PR 0.50 A 1
    C C7A 0.4736(15) 0.696(3) 0.3447(11) 0.0588(14) Uani d PD 0.50 A 1
    H H7A1 0.4941 0.5962 0.3537 0.071 Uiso calc PR 0.50 A 1
    H H7A2 0.5240 0.7458 0.3290 0.071 Uiso calc PR 0.50 A 1
    C C4B 0.3213(10) 0.9155(16) 0.3432(6) 0.0588(14) Uani d PD 0.50 A 2
    H H4B1 0.2593 0.9388 0.3527 0.071 Uiso calc PR 0.50 A 2
    H H4B2 0.3457 1.0025 0.3265 0.071 Uiso calc PR 0.50 A 2
    C C5B 0.3982(6) 0.8638(11) 0.4139(4) 0.0588(14) Uani d PD 0.50 A 2
    H H5B1 0.4135 0.9414 0.4486 0.071 Uiso calc PR 0.50 A 2
    H H5B2 0.3718 0.7832 0.4342 0.071 Uiso calc PR 0.50 A 2
    C C6B 0.4903(6) 0.8187(12) 0.3946(5) 0.051(2) Uani d PD 0.50 A 2
    H H6B 0.5144 0.8987 0.3715 0.061 Uiso calc PR 0.50 A 2
    C C7B 0.4707(15) 0.688(3) 0.3465(12) 0.0588(14) Uani d PD 0.50 A 2
    H H7B1 0.4662 0.6038 0.3745 0.071 Uiso calc PR 0.50 A 2
    H H7B2 0.5263 0.6746 0.3274 0.071 Uiso calc PR 0.50 A 2
    C C8 0.5720(3) 0.7739(6) 0.4658(3) 0.0711(14) Uani d . 1 . .
    C C9 0.6592(3) 0.8420(5) 0.4667(2) 0.0612(11) Uani d . 1 A .
    H H9 0.6611 0.9020 0.4291 0.073 Uiso calc R 1 . .
    C C10 0.7440(3) 0.8217(4) 0.5234(2) 0.0528(9) Uani d . 1 . .
    H H10 0.8023 0.8685 0.5234 0.063 Uiso calc R 1 A .
    C C11 0.7430(3) 0.7336(5) 0.5794(2) 0.0538(9) Uani d . 1 A .
    H H11 0.8002 0.7205 0.6171 0.065 Uiso calc R 1 . .
    C C12 0.6567(3) 0.6648(6) 0.5793(3) 0.0705(12) Uani d . 1 . .
    H H12 0.6551 0.6043 0.6168 0.085 Uiso calc R 1 A .
    C C13 0.5718(3) 0.6866(6) 0.5224(3) 0.0806(16) Uani d . 1 A .
    H H13 0.5133 0.6408 0.5227 0.097 Uiso calc R 1 . .
    C C14 0.1131(4) 0.5802(6) 0.2979(2) 0.0703(12) Uani d . 1 A .
    H H14A 0.0843 0.6731 0.3006 0.106 Uiso calc R 1 . .
    H H14B 0.1819 0.5817 0.3250 0.106 Uiso calc R 1 . .
    H H14C 0.0791 0.5085 0.3172 0.106 Uiso calc R 1 . .
    C C15 0.1576(5) 0.3580(6) 0.2137(3) 0.0924(18) Uani d . 1 A .
    H H15A 0.2282 0.3659 0.2331 0.139 Uiso calc R 1 . .
    H H15B 0.1419 0.3144 0.1673 0.139 Uiso calc R 1 . .
    H H15C 0.1318 0.2995 0.2446 0.139 Uiso calc R 1 . .
    C C16 -0.0301(4) 0.4970(8) 0.1689(4) 0.108(2) Uani d . 1 A .
    H H16A -0.0503 0.4318 0.2000 0.162 Uiso calc R 1 . .
    H H16B -0.0414 0.4533 0.1227 0.162 Uiso calc R 1 . .
    H H16C -0.0677 0.5845 0.1643 0.162 Uiso calc R 1 . .
    C C17 0.2460(7) 1.0381(7) 0.1306(4) 0.130(3) Uani d . 1 A .
    H H17A 0.2847 1.0260 0.1795 0.194 Uiso calc R 1 . .
    H H17B 0.1848 1.0853 0.1289 0.194 Uiso calc R 1 . .
    H H17C 0.2822 1.0957 0.1060 0.194 Uiso calc R 1 . .
    C C18 0.1411(6) 0.9086(10) -0.0004(3) 0.131(3) Uani d . 1 A .
    H H18A 0.1655 0.9942 -0.0171 0.197 Uiso calc R 1 . .
    H H18B 0.0747 0.9250 0.0016 0.197 Uiso calc R 1 . .
    H H18C 0.1412 0.8303 -0.0324 0.197 Uiso calc R 1 . .
    C C19 0.3384(6) 0.8276(11) 0.0729(5) 0.145(3) Uani d . 1 A .
    H H19A 0.3328 0.7439 0.0432 0.218 Uiso calc R 1 . .
    H H19B 0.3875 0.8107 0.1178 0.218 Uiso calc R 1 . .
    H H19C 0.3576 0.9091 0.0498 0.218 Uiso calc R 1 . .
    C C20 0.0439(3) 0.8123(5) 0.1320(2) 0.0554(10) Uani d . 1 . .
    H H20A 0.0173 0.8009 0.1716 0.083 Uiso calc R 1 . .
    H H20B -0.0034 0.7780 0.0892 0.083 Uiso calc R 1 . .
    H H20C 0.0574 0.9124 0.1265 0.083 Uiso calc R 1 . .
    C C21 0.1195(4) 0.5831(5) 0.0613(2) 0.0681(12) Uani d . 1 . .
    H H21A 0.1637 0.5941 0.0325 0.102 Uiso calc R 1 . .
    H H21B 0.0546 0.6156 0.0350 0.102 Uiso calc R 1 . .
    H H21C 0.1166 0.4833 0.0737 0.102 Uiso calc R 1 . .
    Co Co1 0.16868(3) 0.69957(5) 0.14988(2) 0.0409(2) Uani d . 1 A .
    O O1 0.22006(17) 0.8152(3) 0.23848(13) 0.0436(6) Uani d . 1 . .
    O O2 0.2941(2) 0.5894(4) 0.17176(15) 0.0665(9) Uani d . 1 . .
    P P2 0.10199(9) 0.53792(12) 0.20619(6) 0.0583(3) Uani d . 1 . .
    P P3 0.22019(9) 0.86373(15) 0.08824(6) 0.0626(3) Uani d . 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    C1 O2 . 1.271(5) ?
    C1 C2 . 1.394(5) ?
    C1 H1 . 0.9300 ?
    C2 C3 . 1.403(5) ?
    C2 C7B . 1.521(10) ?
    C2 C7A . 1.526(10) ?
    C3 O1 . 1.265(4) ?
    C3 C4A . 1.523(10) ?
    C3 C4B . 1.509(10) ?
    C4A C5A . 1.569(12) ?
    C4A H4A1 . 0.9700 ?
    C4A H4A2 . 0.9700 ?
    C5A C6A . 1.534(11) ?
    C5A H5A1 . 0.9700 ?
    C5A H5A2 . 0.9700 ?
    C6A C7A . 1.510(16) ?
    C6A C8 . 1.533(9) ?
    C6A H6A . 0.9800 ?
    C7A H7A1 . 0.9700 ?
    C7A H7A2 . 0.9700 ?
    C4B C5B . 1.565(12) ?
    C4B H4B1 . 0.9700 ?
    C4B H4B2 . 0.9700 ?
    C5B C6B . 1.514(10) ?
    C5B H5B1 . 0.9700 ?
    C5B H5B2 . 0.9700 ?
    C6B C7B . 1.508(16) ?
    C6B C8 . 1.584(10) ?
    C6B H6B . 0.9800 ?
    C7B H7B1 . 0.9700 ?
    C7B H7B2 . 0.9700 ?
    C8 C13 . 1.372(8) ?
    C8 C9 . 1.377(7) ?
    C9 C10 . 1.388(6) ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.370(6) ?
    C10 H10 . 0.9300 ?
    C11 C12 . 1.374(6) ?
    C11 H11 . 0.9300 ?
    C12 C13 . 1.393(7) ?
    C12 H12 . 0.9300 ?
    C13 H13 . 0.9300 ?
    C14 P2 . 1.800(5) ?
    C14 H14A . 0.9600 ?
    C14 H14B . 0.9600 ?
    C14 H14C . 0.9600 ?
    C15 P2 . 1.831(5) ?
    C15 H15A . 0.9600 ?
    C15 H15B . 0.9600 ?
    C15 H15C . 0.9600 ?
    C16 P2 . 1.832(5) ?
    C16 H16A . 0.9600 ?
    C16 H16B . 0.9600 ?
    C16 H16C . 0.9600 ?
    C17 P3 . 1.806(7) ?
    C17 H17A . 0.9600 ?
    C17 H17B . 0.9600 ?
    C17 H17C . 0.9600 ?
    C18 P3 . 1.817(6) ?
    C18 H18A . 0.9600 ?
    C18 H18B . 0.9600 ?
    C18 H18C . 0.9600 ?
    C19 P3 . 1.810(6) ?
    C19 H19A . 0.9600 ?
    C19 H19B . 0.9600 ?
    C19 H19C . 0.9600 ?
    C20 Co1 . 1.990(4) ?
    C20 H20A . 0.9600 ?
    C20 H20B . 0.9600 ?
    C20 H20C . 0.9600 ?
    C21 Co1 . 1.989(4) ?
    C21 H21A . 0.9600 ?
    C21 H21B . 0.9600 ?
    C21 H21C . 0.9600 ?
    Co1 O2 . 1.980(3) ?
    Co1 O1 . 1.987(2) ?
    Co1 P3 . 2.1938(13) ?
    Co1 P2 . 2.2254(13) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O2 C1 C2 . . 129.3(4) ?
    O2 C1 H1 . . 115.4 ?
    C2 C1 H1 . . 115.4 ?
    C1 C2 C3 . . 122.2(3) ?
    C1 C2 C7B . . 116.5(5) ?
    C3 C2 C7B . . 121.3(5) ?
    C1 C2 C7A . . 117.0(5) ?
    C3 C2 C7A . . 120.8(5) ?
    C7B C2 C7A . . 3(3) ?
    O1 C3 C2 . . 125.7(3) ?
    O1 C3 C4A . . 114.7(5) ?
    C2 C3 C4A . . 119.4(5) ?
    O1 C3 C4B . . 113.6(5) ?
    C2 C3 C4B . . 120.6(5) ?
    C4A C3 C4B . . 9.6(15) ?
    C3 C4A C5A . . 114.4(8) ?
    C3 C4A H4A1 . . 108.6 ?
    C5A C4A H4A1 . . 108.6 ?
    C3 C4A H4A2 . . 108.7 ?
    C5A C4A H4A2 . . 108.7 ?
    H4A1 C4A H4A2 . . 107.6 ?
    C6A C5A C4A . . 105.6(8) ?
    C6A C5A H5A1 . . 110.6 ?
    C4A C5A H5A1 . . 110.6 ?
    C6A C5A H5A2 . . 110.6 ?
    C4A C5A H5A2 . . 110.6 ?
    H5A1 C5A H5A2 . . 108.8 ?
    C5A C6A C7A . . 108.7(13) ?
    C5A C6A C8 . . 108.0(7) ?
    C7A C6A C8 . . 109.3(8) ?
    C5A C6A H6A . . 110.2 ?
    C7A C6A H6A . . 110.2 ?
    C8 C6A H6A . . 110.2 ?
    C6A C7A C2 . . 113.8(11) ?
    C6A C7A H7A1 . . 108.8 ?
    C2 C7A H7A1 . . 108.8 ?
    C6A C7A H7A2 . . 108.8 ?
    C2 C7A H7A2 . . 108.8 ?
    H7A1 C7A H7A2 . . 107.7 ?
    C3 C4B C5B . . 111.9(8) ?
    C3 C4B H4B1 . . 109.2 ?
    C5B C4B H4B1 . . 109.2 ?
    C3 C4B H4B2 . . 109.2 ?
    C5B C4B H4B2 . . 109.2 ?
    H4B1 C4B H4B2 . . 107.9 ?
    C6B C5B C4B . . 106.8(9) ?
    C6B C5B H5B1 . . 110.4 ?
    C4B C5B H5B1 . . 110.4 ?
    C6B C5B H5B2 . . 110.4 ?
    C4B C5B H5B2 . . 110.4 ?
    H5B1 C5B H5B2 . . 108.6 ?
    C5B C6B C7B . . 111.3(13) ?
    C5B C6B C8 . . 108.1(7) ?
    C7B C6B C8 . . 107.1(10) ?
    C5B C6B H6B . . 110.1 ?
    C7B C6B H6B . . 110.1 ?
    C8 C6B H6B . . 110.1 ?
    C6B C7B C2 . . 113.3(11) ?
    C6B C7B H7B1 . . 108.9 ?
    C2 C7B H7B1 . . 108.9 ?
    C6B C7B H7B2 . . 108.9 ?
    C2 C7B H7B2 . . 108.9 ?
    H7B1 C7B H7B2 . . 107.7 ?
    C13 C8 C9 . . 118.2(4) ?
    C13 C8 C6A . . 105.8(6) ?
    C9 C8 C6A . . 136.0(6) ?
    C13 C8 C6B . . 133.8(6) ?
    C9 C8 C6B . . 108.0(6) ?
    C6A C8 C6B . . 28.1(4) ?
    C8 C9 C10 . . 120.4(5) ?
    C8 C9 H9 . . 119.8 ?
    C10 C9 H9 . . 119.8 ?
    C11 C10 C9 . . 120.8(4) ?
    C11 C10 H10 . . 119.6 ?
    C9 C10 H10 . . 119.6 ?
    C10 C11 C12 . . 119.5(4) ?
    C10 C11 H11 . . 120.3 ?
    C12 C11 H11 . . 120.3 ?
    C11 C12 C13 . . 119.3(5) ?
    C11 C12 H12 . . 120.4 ?
    C13 C12 H12 . . 120.4 ?
    C8 C13 C12 . . 121.8(5) ?
    C8 C13 H13 . . 119.1 ?
    C12 C13 H13 . . 119.1 ?
    P2 C14 H14A . . 109.5 ?
    P2 C14 H14B . . 109.5 ?
    H14A C14 H14B . . 109.5 ?
    P2 C14 H14C . . 109.5 ?
    H14A C14 H14C . . 109.5 ?
    H14B C14 H14C . . 109.5 ?
    P2 C15 H15A . . 109.5 ?
    P2 C15 H15B . . 109.5 ?
    H15A C15 H15B . . 109.5 ?
    P2 C15 H15C . . 109.5 ?
    H15A C15 H15C . . 109.5 ?
    H15B C15 H15C . . 109.5 ?
    P2 C16 H16A . . 109.5 ?
    P2 C16 H16B . . 109.5 ?
    H16A C16 H16B . . 109.5 ?
    P2 C16 H16C . . 109.5 ?
    H16A C16 H16C . . 109.5 ?
    H16B C16 H16C . . 109.5 ?
    P3 C17 H17A . . 109.5 ?
    P3 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    P3 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    P3 C18 H18A . . 109.5 ?
    P3 C18 H18B . . 109.5 ?
    H18A C18 H18B . . 109.5 ?
    P3 C18 H18C . . 109.5 ?
    H18A C18 H18C . . 109.5 ?
    H18B C18 H18C . . 109.5 ?
    P3 C19 H19A . . 109.5 ?
    P3 C19 H19B . . 109.5 ?
    H19A C19 H19B . . 109.5 ?
    P3 C19 H19C . . 109.5 ?
    H19A C19 H19C . . 109.5 ?
    H19B C19 H19C . . 109.5 ?
    Co1 C20 H20A . . 109.5 ?
    Co1 C20 H20B . . 109.5 ?
    H20A C20 H20B . . 109.5 ?
    Co1 C20 H20C . . 109.5 ?
    H20A C20 H20C . . 109.5 ?
    H20B C20 H20C . . 109.5 ?
    Co1 C21 H21A . . 109.5 ?
    Co1 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    Co1 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
    O2 Co1 O1 . . 90.80(10) ?
    O2 Co1 C21 . . 88.33(16) ?
    O1 Co1 C21 . . 179.06(16) ?
    O2 Co1 C20 . . 177.72(14) ?
    O1 Co1 C20 . . 87.09(15) ?
    C21 Co1 C20 . . 93.79(19) ?
    O2 Co1 P3 . . 93.37(12) ?
    O1 Co1 P3 . . 90.61(9) ?
    C21 Co1 P3 . . 89.12(16) ?
    C20 Co1 P3 . . 87.51(13) ?
    O2 Co1 P2 . . 91.46(12) ?
    O1 Co1 P2 . . 91.75(9) ?
    C21 Co1 P2 . . 88.60(16) ?
    C20 Co1 P2 . . 87.76(13) ?
    P3 Co1 P2 . . 174.60(5) ?
    C3 O1 Co1 . . 127.5(2) ?
    C1 O2 Co1 . . 124.5(2) ?
    C14 P2 C15 . . 102.0(3) ?
    C14 P2 C16 . . 103.1(3) ?
    C15 P2 C16 . . 101.9(3) ?
    C14 P2 Co1 . . 114.89(17) ?
    C15 P2 Co1 . . 114.9(2) ?
    C16 P2 Co1 . . 118.0(2) ?
    C17 P3 C19 . . 99.8(5) ?
    C17 P3 C18 . . 102.7(4) ?
    C19 P3 C18 . . 102.9(4) ?
    C17 P3 Co1 . . 115.1(2) ?
    C19 P3 Co1 . . 115.6(3) ?
    C18 P3 Co1 . . 118.3(2) ?
