#------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: svn://www.crystallography.net/cod/cif/2/22/85/2228541.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_2228541
loop_
_publ_author_name
'Zhu, Chengchen'
'Yang, Liguo'
'Li, Dacheng'
_publ_section_title
;
 [1,1'-Bis(diphenylphosphanyl)ferrocene-κ²P,P']dichloridocadmium(II)
 dichloromethane disolvate
;
_journal_coeditor_code           RZ2517
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1586
_journal_paper_doi               10.1107/S1600536810046635
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Cd Fe (C17 H14 P)2 Cl2], 2C H2 Cl2'
_chemical_formula_moiety         'C34 H28 Cd Cl2 Fe P2, 2(C H2 Cl2)'
_chemical_formula_sum            'C36 H32 Cd Cl6 Fe P2'
_chemical_formula_weight         907.51
_chemical_name_systematic
;
[1,1'-Bis(diphenylphosphanyl)ferrocene-
κ²P,P']dichloridocadmium(II) dichloromethane disolvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 93.3490(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.8114(10)
_cell_length_b                   23.594(2)
_cell_length_c                   17.6058(16)
_cell_measurement_reflns_used    3906
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      21.8785
_cell_measurement_theta_min      2.249
_cell_volume                     4068.6(7)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        'SAINT (Siemens, 1996)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker SMART 1000 CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1023
_diffrn_reflns_av_sigmaI/netI    0.1066
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            20307
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         1.44
_exptl_absorpt_coefficient_mu    1.376
_exptl_absorpt_correction_T_max  0.7249
_exptl_absorpt_correction_T_min  0.6160
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Siemens, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.482
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1816
_exptl_crystal_size_max          0.39
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.25
_refine_diff_density_max         0.504
_refine_diff_density_min         -0.705
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.001
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     415
_refine_ls_number_reflns         7133
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.001
_refine_ls_R_factor_all          0.1092
_refine_ls_R_factor_gt           0.0512
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0290P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0893
_refine_ls_wR_factor_ref         0.1060
_reflns_number_gt                3982
_reflns_number_total             7133
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            rz2517.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2228541
_cod_database_fobs_code          2228541
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'
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
Cd Cd1 0.19344(4) 0.683033(18) 0.39863(2) 0.04745(14) Uani d . 1 . .
Fe Fe1 -0.09473(8) 0.64546(3) 0.56217(4) 0.0474(2) Uani d . 1 . .
P P1 0.23968(13) 0.68445(6) 0.54792(7) 0.0421(3) Uani d . 1 . .
P P2 -0.06947(14) 0.66286(6) 0.37238(8) 0.0455(4) Uani d . 1 . .
Cl Cl1 0.22491(15) 0.77580(7) 0.33758(9) 0.0655(4) Uani d . 1 . .
Cl Cl2 0.3313(2) 0.60588(8) 0.34982(10) 0.0972(7) Uani d . 1 . .
Cl Cl3 0.1439(3) 0.45928(12) 0.24183(15) 0.1513(10) Uani d . 1 . .
Cl Cl4 0.3305(3) 0.50224(14) 0.13614(17) 0.1673(12) Uani d . 1 . .
Cl Cl5 0.3751(3) 0.93735(11) 0.43706(15) 0.1316(9) Uani d . 1 . .
Cl Cl6 0.0863(3) 0.92278(15) 0.46508(18) 0.1646(12) Uani d . 1 . .
C C1 0.0797(5) 0.6911(2) 0.5949(3) 0.0435(13) Uani d . 1 . .
C C2 0.0318(6) 0.6598(3) 0.6586(3) 0.0574(16) Uani d . 1 . .
H H2 0.0797 0.6321 0.6867 0.069 Uiso calc R 1 . .
C C3 -0.1047(6) 0.6796(3) 0.6703(4) 0.0717(19) Uani d . 1 . .
H H3 -0.1594 0.6669 0.7082 0.086 Uiso calc R 1 . .
C C4 -0.1417(6) 0.7210(3) 0.6158(3) 0.0611(17) Uani d . 1 . .
H H4 -0.2247 0.7401 0.6117 0.073 Uiso calc R 1 . .
C C5 -0.0325(6) 0.7289(2) 0.5680(3) 0.0532(15) Uani d . 1 . .
H H5 -0.0315 0.7537 0.5269 0.064 Uiso calc R 1 . .
C C6 -0.1306(5) 0.6213(2) 0.4503(3) 0.0451(13) Uani d . 1 . .
C C7 -0.0473(6) 0.5795(2) 0.4916(3) 0.0579(16) Uani d . 1 . .
H H7 0.0404 0.5685 0.4805 0.069 Uiso calc R 1 . .
C C8 -0.1233(8) 0.5578(3) 0.5524(3) 0.0714(19) Uani d . 1 . .
H H8 -0.0938 0.5302 0.5872 0.086 Uiso calc R 1 . .
C C9 -0.2511(8) 0.5859(3) 0.5502(4) 0.078(2) Uani d . 1 . .
H H9 -0.3190 0.5798 0.5840 0.094 Uiso calc R 1 . .
C C10 -0.2596(6) 0.6249(3) 0.4882(4) 0.0641(17) Uani d . 1 . .
H H10 -0.3332 0.6483 0.4743 0.077 Uiso calc R 1 . .
C C11 0.3274(5) 0.6224(2) 0.5939(3) 0.0447(13) Uani d . 1 . .
C C12 0.3777(6) 0.6261(3) 0.6697(3) 0.0654(17) Uani d . 1 . .
H H12 0.3718 0.6599 0.6967 0.078 Uiso calc R 1 . .
C C13 0.4378(7) 0.5775(3) 0.7045(4) 0.0747(19) Uani d . 1 . .
H H13 0.4695 0.5791 0.7552 0.090 Uiso calc R 1 . .
C C14 0.4501(6) 0.5281(3) 0.6650(4) 0.0614(17) Uani d . 1 . .
H H14 0.4918 0.4969 0.6887 0.074 Uiso calc R 1 . .
C C15 0.4008(6) 0.5244(3) 0.5898(4) 0.0588(16) Uani d . 1 . .
H H15 0.4078 0.4906 0.5631 0.071 Uiso calc R 1 . .
C C16 0.3403(5) 0.5720(2) 0.5543(3) 0.0523(15) Uani d . 1 . .
H H16 0.3084 0.5698 0.5036 0.063 Uiso calc R 1 . .
C C17 0.3423(5) 0.7464(2) 0.5797(3) 0.0450(13) Uani d . 1 . .
C C18 0.3174(6) 0.7782(3) 0.6434(3) 0.0597(16) Uani d . 1 . .
H H18 0.2443 0.7688 0.6722 0.072 Uiso calc R 1 . .
C C19 0.3998(7) 0.8241(3) 0.6649(4) 0.0743(19) Uani d . 1 . .
H H19 0.3824 0.8446 0.7085 0.089 Uiso calc R 1 . .
C C20 0.5072(7) 0.8395(3) 0.6221(4) 0.078(2) Uani d . 1 . .
H H20 0.5616 0.8704 0.6365 0.094 Uiso calc R 1 . .
C C21 0.5338(6) 0.8088(3) 0.5575(4) 0.0731(19) Uani d . 1 . .
H H21 0.6064 0.8188 0.5286 0.088 Uiso calc R 1 . .
C C22 0.4516(6) 0.7628(3) 0.5361(3) 0.0589(16) Uani d . 1 . .
H H22 0.4690 0.7426 0.4924 0.071 Uiso calc R 1 . .
C C23 -0.1851(5) 0.7248(3) 0.3615(3) 0.0472(14) Uani d . 1 . .
C C24 -0.1393(6) 0.7791(3) 0.3794(3) 0.0580(16) Uani d . 1 . .
H H24 -0.0478 0.7850 0.3942 0.070 Uiso calc R 1 . .
C C25 -0.2296(9) 0.8251(3) 0.3753(4) 0.082(2) Uani d . 1 . .
H H25 -0.2002 0.8614 0.3888 0.098 Uiso calc R 1 . .
C C26 -0.3657(10) 0.8149(5) 0.3504(4) 0.102(3) Uani d . 1 . .
H H26 -0.4275 0.8449 0.3488 0.122 Uiso calc R 1 . .
C C27 -0.4102(7) 0.7619(4) 0.3283(4) 0.089(2) Uani d . 1 . .
H H27 -0.4996 0.7566 0.3090 0.107 Uiso calc R 1 . .
C C28 -0.3209(6) 0.7167(3) 0.3349(4) 0.0736(19) Uani d . 1 . .
H H28 -0.3513 0.6805 0.3215 0.088 Uiso calc R 1 . .
C C29 -0.1060(5) 0.6230(2) 0.2843(3) 0.0480(14) Uani d . 1 . .
C C30 -0.1719(7) 0.5703(3) 0.2802(4) 0.077(2) Uani d . 1 . .
H H30 -0.1981 0.5530 0.3246 0.092 Uiso calc R 1 . .
C C31 -0.1988(7) 0.5434(3) 0.2096(4) 0.081(2) Uani d . 1 . .
H H31 -0.2435 0.5087 0.2075 0.097 Uiso calc R 1 . .
C C32 -0.1598(7) 0.5681(3) 0.1444(4) 0.078(2) Uani d . 1 . .
H H32 -0.1768 0.5497 0.0980 0.094 Uiso calc R 1 . .
C C33 -0.0959(7) 0.6196(3) 0.1465(4) 0.0742(19) Uani d . 1 . .
H H33 -0.0712 0.6363 0.1014 0.089 Uiso calc R 1 . .
C C34 -0.0671(6) 0.6476(3) 0.2158(3) 0.0647(17) Uani d . 1 . .
H H34 -0.0223 0.6823 0.2166 0.078 Uiso calc R 1 . .
C C35 0.1928(9) 0.5170(4) 0.1904(5) 0.122(3) Uani d . 1 . .
H H35A 0.2169 0.5478 0.2250 0.146 Uiso calc R 1 . .
H H35B 0.1163 0.5293 0.1571 0.146 Uiso calc R 1 . .
C C36 0.2509(9) 0.8924(4) 0.4712(5) 0.117(3) Uani d . 1 . .
H H36A 0.2755 0.8831 0.5238 0.140 Uiso calc R 1 . .
H H36B 0.2492 0.8574 0.4422 0.140 Uiso calc R 1 . .
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'
Cl Cl 0.1484 0.1585 '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'
Cd Cd -0.8075 1.2024 '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_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Cl2 Cd1 Cl1 . . 114.86(6) ?
Cl2 Cd1 P2 . . 111.00(7) ?
Cl1 Cd1 P2 . . 103.29(5) ?
Cl2 Cd1 P1 . . 106.97(5) ?
Cl1 Cd1 P1 . . 113.83(5) ?
P2 Cd1 P1 . . 106.62(4) ?
C6 Fe1 C7 . . 41.2(2) ?
C6 Fe1 C5 . . 110.2(2) ?
C7 Fe1 C5 . . 132.4(2) ?
C6 Fe1 C2 . . 152.8(2) ?
C7 Fe1 C2 . . 118.1(2) ?
C5 Fe1 C2 . . 69.0(2) ?
C6 Fe1 C10 . . 41.5(2) ?
C7 Fe1 C10 . . 68.9(2) ?
C5 Fe1 C10 . . 118.2(3) ?
C2 Fe1 C10 . . 163.9(2) ?
C6 Fe1 C1 . . 120.06(19) ?
C7 Fe1 C1 . . 110.3(2) ?
C5 Fe1 C1 . . 41.7(2) ?
C2 Fe1 C1 . . 40.8(2) ?
C10 Fe1 C1 . . 153.6(2) ?
C6 Fe1 C3 . . 165.9(2) ?
C7 Fe1 C3 . . 150.5(3) ?
C5 Fe1 C3 . . 67.2(3) ?
C2 Fe1 C3 . . 40.8(2) ?
C10 Fe1 C3 . . 126.2(2) ?
C1 Fe1 C3 . . 68.0(2) ?
C6 Fe1 C4 . . 129.8(2) ?
C7 Fe1 C4 . . 169.6(2) ?
C5 Fe1 C4 . . 39.9(2) ?
C2 Fe1 C4 . . 68.1(2) ?
C10 Fe1 C4 . . 107.4(2) ?
C1 Fe1 C4 . . 68.3(2) ?
C3 Fe1 C4 . . 39.4(2) ?
C6 Fe1 C9 . . 68.5(2) ?
C7 Fe1 C9 . . 67.7(3) ?
C5 Fe1 C9 . . 149.7(3) ?
C2 Fe1 C9 . . 126.5(3) ?
C10 Fe1 C9 . . 40.2(2) ?
C1 Fe1 C9 . . 165.8(3) ?
C3 Fe1 C9 . . 106.3(3) ?
C4 Fe1 C9 . . 116.3(3) ?
C6 Fe1 C8 . . 68.5(2) ?
C7 Fe1 C8 . . 40.4(2) ?
C5 Fe1 C8 . . 170.2(3) ?
C2 Fe1 C8 . . 107.4(3) ?
C10 Fe1 C8 . . 67.8(3) ?
C1 Fe1 C8 . . 129.8(3) ?
C3 Fe1 C8 . . 116.5(3) ?
C4 Fe1 C8 . . 148.4(3) ?
C9 Fe1 C8 . . 39.7(3) ?
C1 P1 C17 . . 105.3(2) ?
C1 P1 C11 . . 105.0(2) ?
C17 P1 C11 . . 105.1(2) ?
C1 P1 Cd1 . . 110.48(17) ?
C17 P1 Cd1 . . 111.77(17) ?
C11 P1 Cd1 . . 118.16(17) ?
C6 P2 C29 . . 107.8(3) ?
C6 P2 C23 . . 106.0(2) ?
C29 P2 C23 . . 103.3(2) ?
C6 P2 Cd1 . . 109.14(18) ?
C29 P2 Cd1 . . 112.46(17) ?
C23 P2 Cd1 . . 117.5(2) ?
C2 C1 C5 . . 106.7(4) ?
C2 C1 P1 . . 129.5(4) ?
C5 C1 P1 . . 123.6(4) ?
C2 C1 Fe1 . . 69.5(3) ?
C5 C1 Fe1 . . 68.7(3) ?
P1 C1 Fe1 . . 123.2(3) ?
C3 C2 C1 . . 106.9(5) ?
C3 C2 Fe1 . . 69.8(3) ?
C1 C2 Fe1 . . 69.7(3) ?
C3 C2 H2 . . 126.5 ?
C1 C2 H2 . . 126.5 ?
Fe1 C2 H2 . . 125.6 ?
C4 C3 C2 . . 109.5(5) ?
C4 C3 Fe1 . . 70.5(3) ?
C2 C3 Fe1 . . 69.5(3) ?
C4 C3 H3 . . 125.3 ?
C2 C3 H3 . . 125.3 ?
Fe1 C3 H3 . . 126.3 ?
C3 C4 C5 . . 108.9(5) ?
C3 C4 Fe1 . . 70.1(4) ?
C5 C4 Fe1 . . 69.4(3) ?
C3 C4 H4 . . 125.5 ?
C5 C4 H4 . . 125.5 ?
Fe1 C4 H4 . . 126.6 ?
C4 C5 C1 . . 107.9(5) ?
C4 C5 Fe1 . . 70.8(3) ?
C1 C5 Fe1 . . 69.6(3) ?
C4 C5 H5 . . 126.0 ?
C1 C5 H5 . . 126.0 ?
Fe1 C5 H5 . . 125.2 ?
C7 C6 C10 . . 106.8(5) ?
C7 C6 P2 . . 123.0(4) ?
C10 C6 P2 . . 130.0(5) ?
C7 C6 Fe1 . . 69.5(3) ?
C10 C6 Fe1 . . 69.7(3) ?
P2 C6 Fe1 . . 121.8(3) ?
C8 C7 C6 . . 108.3(5) ?
C8 C7 Fe1 . . 70.9(3) ?
C6 C7 Fe1 . . 69.3(3) ?
C8 C7 H7 . . 125.9 ?
C6 C7 H7 . . 125.9 ?
Fe1 C7 H7 . . 125.5 ?
C9 C8 C7 . . 108.2(6) ?
C9 C8 Fe1 . . 69.8(4) ?
C7 C8 Fe1 . . 68.7(3) ?
C9 C8 H8 . . 125.9 ?
C7 C8 H8 . . 125.9 ?
Fe1 C8 H8 . . 127.2 ?
C8 C9 C10 . . 109.5(5) ?
C8 C9 Fe1 . . 70.5(4) ?
C10 C9 Fe1 . . 69.6(3) ?
C8 C9 H9 . . 125.2 ?
C10 C9 H9 . . 125.2 ?
Fe1 C9 H9 . . 126.2 ?
C9 C10 C6 . . 107.2(6) ?
C9 C10 Fe1 . . 70.2(4) ?
C6 C10 Fe1 . . 68.7(3) ?
C9 C10 H10 . . 126.4 ?
C6 C10 H10 . . 126.4 ?
Fe1 C10 H10 . . 126.2 ?
C16 C11 C12 . . 119.7(5) ?
C16 C11 P1 . . 120.6(4) ?
C12 C11 P1 . . 119.7(4) ?
C11 C12 C13 . . 118.5(6) ?
C11 C12 H12 . . 120.8 ?
C13 C12 H12 . . 120.8 ?
C14 C13 C12 . . 121.3(6) ?
C14 C13 H13 . . 119.3 ?
C12 C13 H13 . . 119.3 ?
C13 C14 C15 . . 120.2(6) ?
C13 C14 H14 . . 119.9 ?
C15 C14 H14 . . 119.9 ?
C14 C15 C16 . . 119.5(5) ?
C14 C15 H15 . . 120.3 ?
C16 C15 H15 . . 120.3 ?
C11 C16 C15 . . 120.7(5) ?
C11 C16 H16 . . 119.6 ?
C15 C16 H16 . . 119.6 ?
C18 C17 C22 . . 118.0(5) ?
C18 C17 P1 . . 123.9(4) ?
C22 C17 P1 . . 118.2(4) ?
C17 C18 C19 . . 121.1(5) ?
C17 C18 H18 . . 119.5 ?
C19 C18 H18 . . 119.5 ?
C20 C19 C18 . . 120.4(6) ?
C20 C19 H19 . . 119.8 ?
C18 C19 H19 . . 119.8 ?
C19 C20 C21 . . 119.8(6) ?
C19 C20 H20 . . 120.1 ?
C21 C20 H20 . . 120.1 ?
C20 C21 C22 . . 119.8(6) ?
C20 C21 H21 . . 120.1 ?
C22 C21 H21 . . 120.1 ?
C21 C22 C17 . . 121.0(6) ?
C21 C22 H22 . . 119.5 ?
C17 C22 H22 . . 119.5 ?
C24 C23 C28 . . 119.5(6) ?
C24 C23 P2 . . 121.1(4) ?
C28 C23 P2 . . 119.4(5) ?
C23 C24 C25 . . 120.5(6) ?
C23 C24 H24 . . 119.7 ?
C25 C24 H24 . . 119.7 ?
C24 C25 C26 . . 118.2(8) ?
C24 C25 H25 . . 120.9 ?
C26 C25 H25 . . 120.9 ?
C27 C26 C25 . . 121.7(7) ?
C27 C26 H26 . . 119.1 ?
C25 C26 H26 . . 119.1 ?
C26 C27 C28 . . 119.3(8) ?
C26 C27 H27 . . 120.3 ?
C28 C27 H27 . . 120.3 ?
C27 C28 C23 . . 120.6(7) ?
C27 C28 H28 . . 119.7 ?
C23 C28 H28 . . 119.7 ?
C30 C29 C34 . . 117.9(5) ?
C30 C29 P2 . . 124.4(4) ?
C34 C29 P2 . . 117.6(4) ?
C29 C30 C31 . . 120.5(6) ?
C29 C30 H30 . . 119.8 ?
C31 C30 H30 . . 119.8 ?
C32 C31 C30 . . 120.4(6) ?
C32 C31 H31 . . 119.8 ?
C30 C31 H31 . . 119.8 ?
C31 C32 C33 . . 120.5(6) ?
C31 C32 H32 . . 119.7 ?
C33 C32 H32 . . 119.7 ?
C32 C33 C34 . . 120.7(6) ?
C32 C33 H33 . . 119.7 ?
C34 C33 H33 . . 119.7 ?
C33 C34 C29 . . 120.0(6) ?
C33 C34 H34 . . 120.0 ?
C29 C34 H34 . . 120.0 ?
Cl3 C35 Cl4 . . 112.5(4) ?
Cl3 C35 H35A . . 109.1 ?
Cl4 C35 H35A . . 109.1 ?
Cl3 C35 H35B . . 109.1 ?
Cl4 C35 H35B . . 109.1 ?
H35A C35 H35B . . 107.8 ?
Cl5 C36 Cl6 . . 112.8(5) ?
Cl5 C36 H36A . . 109.0 ?
Cl6 C36 H36A . . 109.0 ?
Cl5 C36 H36B . . 109.0 ?
Cl6 C36 H36B . . 109.0 ?
H36A C36 H36B . . 107.8 ?
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
Cd1 Cl2 . 2.4530(17) ?
Cd1 Cl1 . 2.4658(16) ?
Cd1 P2 . 2.6372(15) ?
Cd1 P1 . 2.6411(13) ?
Fe1 C6 . 2.060(5) ?
Fe1 C7 . 2.062(6) ?
Fe1 C5 . 2.063(6) ?
Fe1 C2 . 2.072(6) ?
Fe1 C10 . 2.074(6) ?
Fe1 C1 . 2.075(5) ?
Fe1 C3 . 2.075(6) ?
Fe1 C4 . 2.081(6) ?
Fe1 C9 . 2.082(6) ?
Fe1 C8 . 2.092(6) ?
P1 C1 . 1.823(5) ?
P1 C17 . 1.843(6) ?
P1 C11 . 1.859(5) ?
P2 C6 . 1.817(6) ?
P2 C29 . 1.832(6) ?
P2 C23 . 1.853(6) ?
Cl3 C35 . 1.719(9) ?
Cl4 C35 . 1.734(8) ?
Cl5 C36 . 1.748(9) ?
Cl6 C36 . 1.764(9) ?
C1 C2 . 1.446(7) ?
C1 C5 . 1.473(7) ?
C2 C3 . 1.444(8) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.402(9) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.413(7) ?
C4 H4 . 0.9300 ?
C5 H5 . 0.9300 ?
C6 C7 . 1.450(8) ?
C6 C10 . 1.466(7) ?
C7 C8 . 1.434(8) ?
C7 H7 . 0.9300 ?
C8 C9 . 1.416(9) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.428(9) ?
C9 H9 . 0.9300 ?
C10 H10 . 0.9300 ?
C11 C16 . 1.390(7) ?
C11 C12 . 1.398(7) ?
C12 C13 . 1.414(8) ?
C12 H12 . 0.9300 ?
C13 C14 . 1.364(8) ?
C13 H13 . 0.9300 ?
C14 C15 . 1.386(8) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.399(8) ?
C15 H15 . 0.9300 ?
C16 H16 . 0.9300 ?
C17 C18 . 1.382(7) ?
C17 C22 . 1.409(7) ?
C18 C19 . 1.392(8) ?
C18 H18 . 0.9300 ?
C19 C20 . 1.380(9) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.386(9) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.390(8) ?
C21 H21 . 0.9300 ?
C22 H22 . 0.9300 ?
C23 C24 . 1.388(8) ?
C23 C28 . 1.399(8) ?
C24 C25 . 1.401(9) ?
C24 H24 . 0.9300 ?
C25 C26 . 1.401(11) ?
C25 H25 . 0.9300 ?
C26 C27 . 1.373(11) ?
C26 H26 . 0.9300 ?
C27 C28 . 1.382(10) ?
C27 H27 . 0.9300 ?
C28 H28 . 0.9300 ?
C29 C30 . 1.401(8) ?
C29 C34 . 1.410(7) ?
C30 C31 . 1.407(8) ?
C30 H30 . 0.9300 ?
C31 C32 . 1.362(9) ?
C31 H31 . 0.9300 ?
C32 C33 . 1.368(9) ?
C32 H32 . 0.9300 ?
C33 C34 . 1.401(8) ?
C33 H33 . 0.9300 ?
C34 H34 . 0.9300 ?
C35 H35A . 0.9700 ?
C35 H35B . 0.9700 ?
C36 H36A . 0.9700 ?
C36 H36B . 0.9700 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
C35 H35A Cl2 . 0.97 2.77 3.698(9) 160
C36 H36B Cl1 . 0.97 2.66 3.619(9) 167
C19 H19 Cl2 4_576 0.93 2.82 3.746(7) 173
C27 H27 Cl1 1_455 0.93 2.82 3.608(7) 144
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_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
Cl2 Cd1 P1 C1 . . . . -134.47(19) ?
Cl1 Cd1 P1 C1 . . . . 97.57(19) ?
P2 Cd1 P1 C1 . . . . -15.65(19) ?
Cl2 Cd1 P1 C17 . . . . 108.66(19) ?
Cl1 Cd1 P1 C17 . . . . -19.31(19) ?
P2 Cd1 P1 C17 . . . . -132.52(18) ?
Cl2 Cd1 P1 C11 . . . . -13.5(2) ?
Cl1 Cd1 P1 C11 . . . . -141.51(19) ?
P2 Cd1 P1 C11 . . . . 105.27(19) ?
Cl2 Cd1 P2 C6 . . . . 87.40(19) ?
Cl1 Cd1 P2 C6 . . . . -149.01(19) ?
P1 Cd1 P2 C6 . . . . -28.76(19) ?
Cl2 Cd1 P2 C29 . . . . -32.2(2) ?
Cl1 Cd1 P2 C29 . . . . 91.4(2) ?
P1 Cd1 P2 C29 . . . . -148.3(2) ?
Cl2 Cd1 P2 C23 . . . . -151.90(19) ?
Cl1 Cd1 P2 C23 . . . . -28.31(19) ?
P1 Cd1 P2 C23 . . . . 91.94(19) ?
C17 P1 C1 C2 . . . . -105.5(5) ?
C11 P1 C1 C2 . . . . 5.2(6) ?
Cd1 P1 C1 C2 . . . . 133.7(5) ?
C17 P1 C1 C5 . . . . 79.6(5) ?
C11 P1 C1 C5 . . . . -169.7(4) ?
Cd1 P1 C1 C5 . . . . -41.2(5) ?
C17 P1 C1 Fe1 . . . . 164.7(3) ?
C11 P1 C1 Fe1 . . . . -84.6(3) ?
Cd1 P1 C1 Fe1 . . . . 43.9(3) ?
C6 Fe1 C1 C2 . . . . -154.4(3) ?
C7 Fe1 C1 C2 . . . . -109.9(3) ?
C5 Fe1 C1 C2 . . . . 118.4(4) ?
C10 Fe1 C1 C2 . . . . 166.8(5) ?
C3 Fe1 C1 C2 . . . . 38.5(4) ?
C4 Fe1 C1 C2 . . . . 81.1(4) ?
C9 Fe1 C1 C2 . . . . -30.6(11) ?
C8 Fe1 C1 C2 . . . . -68.4(4) ?
C6 Fe1 C1 C5 . . . . 87.2(3) ?
C7 Fe1 C1 C5 . . . . 131.7(3) ?
C2 Fe1 C1 C5 . . . . -118.4(4) ?
C10 Fe1 C1 C5 . . . . 48.3(6) ?
C3 Fe1 C1 C5 . . . . -79.9(4) ?
C4 Fe1 C1 C5 . . . . -37.3(3) ?
C9 Fe1 C1 C5 . . . . -149.0(10) ?
C8 Fe1 C1 C5 . . . . 173.2(3) ?
C6 Fe1 C1 P1 . . . . -29.9(4) ?
C7 Fe1 C1 P1 . . . . 14.6(4) ?
C5 Fe1 C1 P1 . . . . -117.1(4) ?
C2 Fe1 C1 P1 . . . . 124.5(5) ?
C10 Fe1 C1 P1 . . . . -68.8(6) ?
C3 Fe1 C1 P1 . . . . 163.0(4) ?
C4 Fe1 C1 P1 . . . . -154.4(4) ?
C9 Fe1 C1 P1 . . . . 93.9(10) ?
C8 Fe1 C1 P1 . . . . 56.1(4) ?
C5 C1 C2 C3 . . . . -1.3(6) ?
P1 C1 C2 C3 . . . . -176.8(4) ?
Fe1 C1 C2 C3 . . . . -60.1(4) ?
C5 C1 C2 Fe1 . . . . 58.8(3) ?
P1 C1 C2 Fe1 . . . . -116.7(4) ?
C6 Fe1 C2 C3 . . . . 172.7(5) ?
C7 Fe1 C2 C3 . . . . -153.1(4) ?
C5 Fe1 C2 C3 . . . . 79.0(4) ?
C10 Fe1 C2 C3 . . . . -40.6(11) ?
C1 Fe1 C2 C3 . . . . 117.8(5) ?
C4 Fe1 C2 C3 . . . . 36.1(4) ?
C9 Fe1 C2 C3 . . . . -71.1(5) ?
C8 Fe1 C2 C3 . . . . -110.6(4) ?
C6 Fe1 C2 C1 . . . . 54.8(6) ?
C7 Fe1 C2 C1 . . . . 89.1(4) ?
C5 Fe1 C2 C1 . . . . -38.8(3) ?
C10 Fe1 C2 C1 . . . . -158.4(8) ?
C3 Fe1 C2 C1 . . . . -117.8(5) ?
C4 Fe1 C2 C1 . . . . -81.8(3) ?
C9 Fe1 C2 C1 . . . . 171.0(4) ?
C8 Fe1 C2 C1 . . . . 131.5(3) ?
C1 C2 C3 C4 . . . . 0.8(7) ?
Fe1 C2 C3 C4 . . . . -59.3(4) ?
C1 C2 C3 Fe1 . . . . 60.1(4) ?
C6 Fe1 C3 C4 . . . . -45.5(12) ?
C7 Fe1 C3 C4 . . . . 174.9(4) ?
C5 Fe1 C3 C4 . . . . 36.9(4) ?
C2 Fe1 C3 C4 . . . . 120.7(5) ?
C10 Fe1 C3 C4 . . . . -72.2(5) ?
C1 Fe1 C3 C4 . . . . 82.1(4) ?
C9 Fe1 C3 C4 . . . . -111.7(4) ?
C8 Fe1 C3 C4 . . . . -153.1(4) ?
C6 Fe1 C3 C2 . . . . -166.2(9) ?
C7 Fe1 C3 C2 . . . . 54.2(6) ?
C5 Fe1 C3 C2 . . . . -83.8(4) ?
C10 Fe1 C3 C2 . . . . 167.1(4) ?
C1 Fe1 C3 C2 . . . . -38.5(3) ?
C4 Fe1 C3 C2 . . . . -120.7(5) ?
C9 Fe1 C3 C2 . . . . 127.6(4) ?
C8 Fe1 C3 C2 . . . . 86.2(4) ?
C2 C3 C4 C5 . . . . 0.1(7) ?
Fe1 C3 C4 C5 . . . . -58.6(4) ?
C2 C3 C4 Fe1 . . . . 58.7(4) ?
C6 Fe1 C4 C3 . . . . 166.9(3) ?
C7 Fe1 C4 C3 . . . . -165.9(12) ?
C5 Fe1 C4 C3 . . . . -120.3(5) ?
C2 Fe1 C4 C3 . . . . -37.3(3) ?
C10 Fe1 C4 C3 . . . . 126.3(4) ?
C1 Fe1 C4 C3 . . . . -81.4(4) ?
C9 Fe1 C4 C3 . . . . 83.9(4) ?
C8 Fe1 C4 C3 . . . . 50.6(7) ?
C6 Fe1 C4 C5 . . . . -72.8(4) ?
C7 Fe1 C4 C5 . . . . -45.6(15) ?
C2 Fe1 C4 C5 . . . . 83.1(4) ?
C10 Fe1 C4 C5 . . . . -113.3(4) ?
C1 Fe1 C4 C5 . . . . 39.0(3) ?
C3 Fe1 C4 C5 . . . . 120.3(5) ?
C9 Fe1 C4 C5 . . . . -155.8(4) ?
C8 Fe1 C4 C5 . . . . 170.9(5) ?
C3 C4 C5 C1 . . . . -0.9(6) ?
Fe1 C4 C5 C1 . . . . -59.9(4) ?
C3 C4 C5 Fe1 . . . . 59.1(4) ?
C2 C1 C5 C4 . . . . 1.3(6) ?
P1 C1 C5 C4 . . . . 177.2(4) ?
Fe1 C1 C5 C4 . . . . 60.7(4) ?
C2 C1 C5 Fe1 . . . . -59.3(4) ?
P1 C1 C5 Fe1 . . . . 116.5(4) ?
C6 Fe1 C5 C4 . . . . 128.6(4) ?
C7 Fe1 C5 C4 . . . . 170.0(4) ?
C2 Fe1 C5 C4 . . . . -80.5(4) ?
C10 Fe1 C5 C4 . . . . 83.6(4) ?
C1 Fe1 C5 C4 . . . . -118.5(5) ?
C3 Fe1 C5 C4 . . . . -36.5(4) ?
C9 Fe1 C5 C4 . . . . 46.9(6) ?
C6 Fe1 C5 C1 . . . . -112.9(3) ?
C7 Fe1 C5 C1 . . . . -71.5(4) ?
C2 Fe1 C5 C1 . . . . 38.0(3) ?
C10 Fe1 C5 C1 . . . . -157.9(3) ?
C3 Fe1 C5 C1 . . . . 82.0(3) ?
C4 Fe1 C5 C1 . . . . 118.5(5) ?
C9 Fe1 C5 C1 . . . . 165.5(4) ?
C29 P2 C6 C7 . . . . 88.9(5) ?
C23 P2 C6 C7 . . . . -161.0(4) ?
Cd1 P2 C6 C7 . . . . -33.5(5) ?
C29 P2 C6 C10 . . . . -96.8(5) ?
C23 P2 C6 C10 . . . . 13.2(6) ?
Cd1 P2 C6 C10 . . . . 140.7(5) ?
C29 P2 C6 Fe1 . . . . 173.8(3) ?
C23 P2 C6 Fe1 . . . . -76.1(4) ?
Cd1 P2 C6 Fe1 . . . . 51.4(3) ?
C5 Fe1 C6 C7 . . . . 132.1(3) ?
C2 Fe1 C6 C7 . . . . 48.9(6) ?
C10 Fe1 C6 C7 . . . . -117.8(5) ?
C1 Fe1 C6 C7 . . . . 87.0(4) ?
C3 Fe1 C6 C7 . . . . -151.0(10) ?
C4 Fe1 C6 C7 . . . . 172.8(3) ?
C9 Fe1 C6 C7 . . . . -80.3(4) ?
C8 Fe1 C6 C7 . . . . -37.5(4) ?
C7 Fe1 C6 C10 . . . . 117.8(5) ?
C5 Fe1 C6 C10 . . . . -110.1(4) ?
C1 Fe1 C6 C10 . . . . -155.1(4) ?
C3 Fe1 C6 C10 . . . . -33.2(12) ?
C4 Fe1 C6 C10 . . . . -69.3(4) ?
C9 Fe1 C6 C10 . . . . 37.5(4) ?
C8 Fe1 C6 C10 . . . . 80.3(4) ?
C7 Fe1 C6 P2 . . . . -116.9(5) ?
C5 Fe1 C6 P2 . . . . 15.3(4) ?
C2 Fe1 C6 P2 . . . . -67.9(6) ?
C10 Fe1 C6 P2 . . . . 125.3(5) ?
C1 Fe1 C6 P2 . . . . -29.8(4) ?
C3 Fe1 C6 P2 . . . . 92.1(10) ?
C4 Fe1 C6 P2 . . . . 56.0(4) ?
C9 Fe1 C6 P2 . . . . 162.9(4) ?
C8 Fe1 C6 P2 . . . . -154.4(4) ?
C10 C6 C7 C8 . . . . 0.4(6) ?
P2 C6 C7 C8 . . . . 175.9(4) ?
Fe1 C6 C7 C8 . . . . 60.5(4) ?
C10 C6 C7 Fe1 . . . . -60.1(4) ?
P2 C6 C7 Fe1 . . . . 115.4(4) ?
C6 Fe1 C7 C8 . . . . -119.0(5) ?
C5 Fe1 C7 C8 . . . . 170.5(4) ?
C2 Fe1 C7 C8 . . . . 84.0(4) ?
C10 Fe1 C7 C8 . . . . -80.1(4) ?
C1 Fe1 C7 C8 . . . . 128.2(4) ?
C3 Fe1 C7 C8 . . . . 47.1(7) ?
C4 Fe1 C7 C8 . . . . -151.2(12) ?
C9 Fe1 C7 C8 . . . . -36.7(4) ?
C5 Fe1 C7 C6 . . . . -70.5(4) ?
C2 Fe1 C7 C6 . . . . -157.0(3) ?
C10 Fe1 C7 C6 . . . . 38.9(3) ?
C1 Fe1 C7 C6 . . . . -112.8(3) ?
C3 Fe1 C7 C6 . . . . 166.1(4) ?
C4 Fe1 C7 C6 . . . . -32.2(15) ?
C9 Fe1 C7 C6 . . . . 82.3(4) ?
C8 Fe1 C7 C6 . . . . 119.0(5) ?
C6 C7 C8 C9 . . . . -0.7(7) ?
Fe1 C7 C8 C9 . . . . 58.8(4) ?
C6 C7 C8 Fe1 . . . . -59.5(4) ?
C6 Fe1 C8 C9 . . . . -81.8(4) ?
C7 Fe1 C8 C9 . . . . -120.0(5) ?
C2 Fe1 C8 C9 . . . . 126.8(4) ?
C10 Fe1 C8 C9 . . . . -36.9(4) ?
C1 Fe1 C8 C9 . . . . 166.4(3) ?
C3 Fe1 C8 C9 . . . . 83.7(4) ?
C4 Fe1 C8 C9 . . . . 50.5(7) ?
C6 Fe1 C8 C7 . . . . 38.2(3) ?
C2 Fe1 C8 C7 . . . . -113.2(4) ?
C10 Fe1 C8 C7 . . . . 83.2(4) ?
C1 Fe1 C8 C7 . . . . -73.6(4) ?
C3 Fe1 C8 C7 . . . . -156.3(4) ?
C4 Fe1 C8 C7 . . . . 170.5(4) ?
C9 Fe1 C8 C7 . . . . 120.0(6) ?
C7 C8 C9 C10 . . . . 0.7(7) ?
Fe1 C8 C9 C10 . . . . 58.8(5) ?
C7 C8 C9 Fe1 . . . . -58.1(4) ?
C6 Fe1 C9 C8 . . . . 81.9(4) ?
C7 Fe1 C9 C8 . . . . 37.3(4) ?
C5 Fe1 C9 C8 . . . . 175.3(4) ?
C2 Fe1 C9 C8 . . . . -72.0(5) ?
C10 Fe1 C9 C8 . . . . 120.6(5) ?
C1 Fe1 C9 C8 . . . . -47.5(11) ?
C3 Fe1 C9 C8 . . . . -112.0(4) ?
C4 Fe1 C9 C8 . . . . -153.2(4) ?
C6 Fe1 C9 C10 . . . . -38.8(4) ?
C7 Fe1 C9 C10 . . . . -83.3(4) ?
C5 Fe1 C9 C10 . . . . 54.7(6) ?
C2 Fe1 C9 C10 . . . . 167.4(3) ?
C1 Fe1 C9 C10 . . . . -168.1(8) ?
C3 Fe1 C9 C10 . . . . 127.3(4) ?
C4 Fe1 C9 C10 . . . . 86.2(4) ?
C8 Fe1 C9 C10 . . . . -120.6(5) ?
C8 C9 C10 C6 . . . . -0.4(7) ?
Fe1 C9 C10 C6 . . . . 59.0(4) ?
C8 C9 C10 Fe1 . . . . -59.4(5) ?
C7 C6 C10 C9 . . . . 0.0(6) ?
P2 C6 C10 C9 . . . . -175.0(4) ?
Fe1 C6 C10 C9 . . . . -59.9(4) ?
C7 C6 C10 Fe1 . . . . 59.9(4) ?
P2 C6 C10 Fe1 . . . . -115.1(5) ?
C6 Fe1 C10 C9 . . . . 118.6(6) ?
C7 Fe1 C10 C9 . . . . 80.0(4) ?
C5 Fe1 C10 C9 . . . . -152.2(4) ?
C2 Fe1 C10 C9 . . . . -39.2(11) ?
C1 Fe1 C10 C9 . . . . 173.5(5) ?
C3 Fe1 C10 C9 . . . . -71.0(5) ?
C4 Fe1 C10 C9 . . . . -110.3(4) ?
C8 Fe1 C10 C9 . . . . 36.4(4) ?
C7 Fe1 C10 C6 . . . . -38.6(3) ?
C5 Fe1 C10 C6 . . . . 89.2(4) ?
C2 Fe1 C10 C6 . . . . -157.8(8) ?
C1 Fe1 C10 C6 . . . . 54.9(6) ?
C3 Fe1 C10 C6 . . . . 170.5(4) ?
C4 Fe1 C10 C6 . . . . 131.1(4) ?
C9 Fe1 C10 C6 . . . . -118.6(6) ?
C8 Fe1 C10 C6 . . . . -82.2(4) ?
C1 P1 C11 C16 . . . . 109.4(4) ?
C17 P1 C11 C16 . . . . -139.8(4) ?
Cd1 P1 C11 C16 . . . . -14.3(5) ?
C1 P1 C11 C12 . . . . -69.0(5) ?
C17 P1 C11 C12 . . . . 41.8(5) ?
Cd1 P1 C11 C12 . . . . 167.4(4) ?
C16 C11 C12 C13 . . . . -1.5(9) ?
P1 C11 C12 C13 . . . . 176.8(5) ?
C11 C12 C13 C14 . . . . 1.6(10) ?
C12 C13 C14 C15 . . . . -1.4(10) ?
C13 C14 C15 C16 . . . . 1.1(9) ?
C12 C11 C16 C15 . . . . 1.2(8) ?
P1 C11 C16 C15 . . . . -177.1(4) ?
C14 C15 C16 C11 . . . . -1.0(8) ?
C1 P1 C17 C18 . . . . 18.7(5) ?
C11 P1 C17 C18 . . . . -92.0(5) ?
Cd1 P1 C17 C18 . . . . 138.6(4) ?
C1 P1 C17 C22 . . . . -160.6(4) ?
C11 P1 C17 C22 . . . . 88.8(5) ?
Cd1 P1 C17 C22 . . . . -40.6(5) ?
C22 C17 C18 C19 . . . . -1.6(9) ?
P1 C17 C18 C19 . . . . 179.1(5) ?
C17 C18 C19 C20 . . . . 1.2(10) ?
C18 C19 C20 C21 . . . . -0.5(10) ?
C19 C20 C21 C22 . . . . 0.4(10) ?
C20 C21 C22 C17 . . . . -0.9(10) ?
C18 C17 C22 C21 . . . . 1.5(9) ?
P1 C17 C22 C21 . . . . -179.2(5) ?
C6 P2 C23 C24 . . . . 111.5(5) ?
C29 P2 C23 C24 . . . . -135.3(5) ?
Cd1 P2 C23 C24 . . . . -10.8(5) ?
C6 P2 C23 C28 . . . . -68.6(5) ?
C29 P2 C23 C28 . . . . 44.7(5) ?
Cd1 P2 C23 C28 . . . . 169.1(4) ?
C28 C23 C24 C25 . . . . 3.9(8) ?
P2 C23 C24 C25 . . . . -176.1(4) ?
C23 C24 C25 C26 . . . . -2.1(9) ?
C24 C25 C26 C27 . . . . -1.8(10) ?
C25 C26 C27 C28 . . . . 3.9(11) ?
C26 C27 C28 C23 . . . . -2.0(10) ?
C24 C23 C28 C27 . . . . -1.8(9) ?
P2 C23 C28 C27 . . . . 178.2(5) ?
C6 P2 C29 C30 . . . . 1.0(6) ?
C23 P2 C29 C30 . . . . -110.9(6) ?
Cd1 P2 C29 C30 . . . . 121.4(5) ?
C6 P2 C29 C34 . . . . 179.9(4) ?
C23 P2 C29 C34 . . . . 67.9(5) ?
Cd1 P2 C29 C34 . . . . -59.8(5) ?
C34 C29 C30 C31 . . . . -0.5(10) ?
P2 C29 C30 C31 . . . . 178.4(5) ?
C29 C30 C31 C32 . . . . 0.6(11) ?
C30 C31 C32 C33 . . . . -1.0(11) ?
C31 C32 C33 C34 . . . . 1.1(11) ?
C32 C33 C34 C29 . . . . -1.0(10) ?
C30 C29 C34 C33 . . . . 0.7(9) ?
P2 C29 C34 C33 . . . . -178.3(5) ?
