#------------------------------------------------------------------------------
#$Date: 2016-03-22 13:46:32 +0200 (Tue, 22 Mar 2016) $
#$Revision: 178977 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/00/4120068.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_4120068
loop_
_publ_author_name
'Brian D. Rekken'
'Thomas M. Brown'
'James C. Fettinger'
'Felicitas Lips'
'Heikki M. Tuononen'
'Rolfe H. Herber'
'Philip P. Power'
_publ_section_title
;
 Dispersion Forces and Counterintuitive Steric Effects in Main Group
 Molecules: Heavier Group 14 (Si-Pb) Dichalcogenolate Carbene Analogues
 with Sub-90° Interligand Bond Angles
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10134
_journal_page_last               10148
_journal_paper_doi               10.1021/ja403802a
_journal_volume                  135
_journal_year                    2013
_chemical_formula_moiety         'C60 H74 Se3'
_chemical_formula_sum            'C60 H74 Se3'
_chemical_formula_weight         1032.07
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                110.151(3)
_cell_angle_beta                 98.376(2)
_cell_angle_gamma                109.783(2)
_cell_formula_units_Z            1
_cell_length_a                   9.2869(13)
_cell_length_b                   12.812(2)
_cell_length_c                   13.0226(18)
_cell_measurement_reflns_used    9967
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      30.49
_cell_measurement_theta_min      2.37
_cell_volume                     1307.1(3)
_computing_cell_refinement       'SAINT (8.27b) (Bruker, 2012)'
_computing_data_collection       'SMART (Version 5.054) (Bruker, 2002)'
_computing_data_reduction        'SAINT (8.27b) (Bruker, 2012)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker SMART1000 CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_unetI/netI     0.0458
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5985
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.496
_diffrn_reflns_theta_min         1.744
_exptl_absorpt_coefficient_mu    2.147
_exptl_absorpt_correction_T_max  0.6557
_exptl_absorpt_correction_T_min  0.5133
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2012/1 (Sheldrick, 2012)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.311
_exptl_crystal_description       Plate
_exptl_crystal_F_000             536
_exptl_crystal_size_max          0.332
_exptl_crystal_size_mid          0.313
_exptl_crystal_size_min          0.168
_refine_diff_density_max         4.251
_refine_diff_density_min         -1.775
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     299
_refine_ls_number_reflns         5985
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.079
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0605
_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)+(0.1203P)²+0.6726P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1633
_refine_ls_wR_factor_ref         0.1699
_reflns_Friedel_coverage         0.000
_reflns_number_gt                5295
_reflns_number_total             5985
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja403802a_si_011.cif
_cod_data_source_block           bdr95f2mi
_cod_database_code               4120068
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.536
_shelx_estimated_absorpt_t_max   0.714
_shelxl_version_number           2012-6
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Se1 Se 0.51852(3) 0.64466(3) 0.61215(2) 0.02371(14) Uani 1 1 d . . .
Se2 Se 0.55396(7) 0.55579(5) 0.44344(5) 0.01877(16) Uani 0.5 1 d . . P
C1 C 0.7247(3) 0.7228(2) 0.7262(2) 0.0105(5) Uani 1 1 d . . .
C2 C 0.7384(3) 0.7011(2) 0.8250(2) 0.0126(5) Uani 1 1 d . . .
C3 C 0.8821(3) 0.7725(3) 0.9143(2) 0.0163(5) Uani 1 1 d . . .
H3 H 0.8925 0.7594 0.9820 0.020 Uiso 1 1 calc R U .
C4 C 1.0105(3) 0.8624(3) 0.9063(2) 0.0182(5) Uani 1 1 d . . .
H4 H 1.1074 0.9100 0.9676 0.022 Uiso 1 1 calc R U .
C5 C 0.9939(3) 0.8812(3) 0.8069(2) 0.0165(5) Uani 1 1 d . . .
H5 H 1.0809 0.9421 0.8009 0.020 Uiso 1 1 calc R U .
C6 C 0.8527(3) 0.8128(2) 0.7159(2) 0.0133(5) Uani 1 1 d . . .
C7 C 0.6029(3) 0.6078(2) 0.8401(2) 0.0133(5) Uani 1 1 d . . .
C8 C 0.4857(3) 0.6405(3) 0.8810(3) 0.0188(6) Uani 1 1 d . . .
C9 C 0.3610(4) 0.5526(3) 0.8953(3) 0.0223(6) Uani 1 1 d . . .
H9 H 0.2802 0.5730 0.9226 0.027 Uiso 1 1 calc R U .
C10 C 0.3542(4) 0.4372(3) 0.8704(3) 0.0222(6) Uani 1 1 d . . .
H10 H 0.2700 0.3792 0.8818 0.027 Uiso 1 1 calc R U .
C11 C 0.4682(4) 0.4054(3) 0.8291(3) 0.0221(6) Uani 1 1 d . . .
H11 H 0.4609 0.3250 0.8111 0.026 Uiso 1 1 calc R U .
C12 C 0.5953(4) 0.4897(3) 0.8131(2) 0.0170(5) Uani 1 1 d . . .
C13 C 0.4934(4) 0.7684(3) 0.9134(3) 0.0287(7) Uani 1 1 d . . .
H13 H 0.5676 0.8086 0.8764 0.034 Uiso 1 1 calc R U .
C14 C 0.3317(5) 0.7682(4) 0.8708(4) 0.0471(11) Uani 1 1 d . . .
H14A H 0.2854 0.7154 0.7885 0.071 Uiso 1 1 calc R U .
H14B H 0.3460 0.8518 0.8847 0.071 Uiso 1 1 calc R U .
H14C H 0.2595 0.7373 0.9117 0.071 Uiso 1 1 calc R U .
C15 C 0.5656(6) 0.8434(4) 1.0431(4) 0.0494(11) Uani 1 1 d . . .
H15A H 0.4947 0.8068 1.0819 0.074 Uiso 1 1 calc R U .
H15B H 0.5776 0.9276 1.0629 0.074 Uiso 1 1 calc R U .
H15C H 0.6709 0.8440 1.0676 0.074 Uiso 1 1 calc R U .
C16 C 0.7212(4) 0.4528(3) 0.7687(3) 0.0269(7) Uani 1 1 d . . .
H16 H 0.7688 0.5063 0.7308 0.032 Uiso 1 1 calc R U .
C17 C 0.6504(6) 0.3189(3) 0.6784(4) 0.0477(12) Uani 1 1 d . . .
H17A H 0.6236 0.2638 0.7163 0.071 Uiso 1 1 calc R U .
H17B H 0.7293 0.3056 0.6392 0.071 Uiso 1 1 calc R U .
H17C H 0.5533 0.3021 0.6225 0.071 Uiso 1 1 calc R U .
C18 C 0.8571(5) 0.4743(4) 0.8663(4) 0.0394(9) Uani 1 1 d . . .
H18A H 0.8151 0.4207 0.9034 0.059 Uiso 1 1 calc R U .
H18B H 0.9031 0.5600 0.9225 0.059 Uiso 1 1 calc R U .
H18C H 0.9403 0.4562 0.8354 0.059 Uiso 1 1 calc R U .
C19 C 0.8377(3) 0.8413(3) 0.6135(2) 0.0155(5) Uani 1 1 d . . .
C20 C 0.8857(3) 0.7830(3) 0.5203(2) 0.0191(6) Uani 1 1 d . . .
C21 C 0.8682(4) 0.8117(3) 0.4259(3) 0.0276(7) Uani 1 1 d . . .
H21 H 0.8991 0.7727 0.3621 0.033 Uiso 1 1 calc R U .
C22 C 0.8072(4) 0.8951(3) 0.4239(3) 0.0308(8) Uani 1 1 d . . .
H22 H 0.7973 0.9139 0.3595 0.037 Uiso 1 1 calc R U .
C23 C 0.7606(4) 0.9515(3) 0.5151(3) 0.0306(8) Uani 1 1 d . . .
H23 H 0.7179 1.0085 0.5126 0.037 Uiso 1 1 calc R U .
C24 C 0.7748(4) 0.9264(3) 0.6117(3) 0.0236(6) Uani 1 1 d . . .
C25 C 0.9593(5) 0.6940(3) 0.5226(3) 0.0302(7) Uani 1 1 d . . .
H25 H 0.9157 0.6558 0.5730 0.036 Uiso 1 1 calc R U .
C26 C 0.9180(7) 0.5896(4) 0.4042(4) 0.0532(13) Uani 1 1 d . . .
H26A H 0.9726 0.6229 0.3561 0.080 Uiso 1 1 calc R U .
H26B H 0.8019 0.5512 0.3678 0.080 Uiso 1 1 calc R U .
H26C H 0.9531 0.5285 0.4133 0.080 Uiso 1 1 calc R U .
C27 C 1.1403(5) 0.7621(4) 0.5757(3) 0.0403(9) Uani 1 1 d . . .
H27A H 1.1869 0.8009 0.5282 0.060 Uiso 1 1 calc R U .
H27B H 1.1854 0.7042 0.5802 0.060 Uiso 1 1 calc R U .
H27C H 1.1653 0.8250 0.6529 0.060 Uiso 1 1 calc R U .
C28 C 0.7261(5) 0.9926(4) 0.7121(4) 0.0371(9) Uani 1 1 d . . .
H28 H 0.7233 0.9504 0.7641 0.044 Uiso 1 1 calc R U .
C29 C 0.5592(5) 0.9873(4) 0.6746(5) 0.0536(13) Uani 1 1 d . . .
H29A H 0.5608 1.0346 0.6293 0.080 Uiso 1 1 calc R U .
H29B H 0.5272 1.0218 0.7424 0.080 Uiso 1 1 calc R U .
H29C H 0.4826 0.9019 0.6281 0.080 Uiso 1 1 calc R U .
C30 C 0.8510(6) 1.1250(5) 0.7802(3) 0.0460(10) Uani 1 1 d . . .
H30A H 0.9557 1.1258 0.8071 0.069 Uiso 1 1 calc R U .
H30B H 0.8196 1.1656 0.8461 0.069 Uiso 1 1 calc R U .
H30C H 0.8577 1.1685 0.7309 0.069 Uiso 1 1 calc R U .
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'
Se Se -0.0929 2.2259 '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
C1 Se1 Se2 107.08(8) . .
C1 Se1 Se2 105.23(8) . 2_666
Se2 Se1 Se2 67.41(2) . 2_666
Se1 Se2 Se1 112.59(2) . 2_666
Se1 Se2 Se2 56.33(3) . 2_666
Se1 Se2 Se2 56.26(2) 2_666 2_666
C2 C1 C6 121.2(2) . .
C2 C1 Se1 119.25(19) . .
C6 C1 Se1 118.99(19) . .
C3 C2 C1 118.3(2) . .
C3 C2 C7 119.0(2) . .
C1 C2 C7 122.6(2) . .
C4 C3 C2 121.6(3) . .
C4 C3 H3 119.2 . .
C2 C3 H3 119.2 . .
C5 C4 C3 118.8(3) . .
C5 C4 H4 120.6 . .
C3 C4 H4 120.6 . .
C4 C5 C6 121.7(3) . .
C4 C5 H5 119.2 . .
C6 C5 H5 119.2 . .
C5 C6 C1 118.4(2) . .
C5 C6 C19 119.6(2) . .
C1 C6 C19 121.9(2) . .
C8 C7 C12 120.9(2) . .
C8 C7 C2 119.3(2) . .
C12 C7 C2 119.8(2) . .
C7 C8 C9 118.5(3) . .
C7 C8 C13 121.9(3) . .
C9 C8 C13 119.6(3) . .
C10 C9 C8 120.8(3) . .
C10 C9 H9 119.6 . .
C8 C9 H9 119.6 . .
C11 C10 C9 120.5(3) . .
C11 C10 H10 119.8 . .
C9 C10 H10 119.8 . .
C10 C11 C12 121.0(3) . .
C10 C11 H11 119.5 . .
C12 C11 H11 119.5 . .
C11 C12 C7 118.3(3) . .
C11 C12 C16 120.1(3) . .
C7 C12 C16 121.6(3) . .
C8 C13 C14 112.9(3) . .
C8 C13 C15 109.8(3) . .
C14 C13 C15 111.3(3) . .
C8 C13 H13 107.5 . .
C14 C13 H13 107.5 . .
C15 C13 H13 107.5 . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C12 C16 C18 111.7(3) . .
C12 C16 C17 112.8(3) . .
C18 C16 C17 109.8(3) . .
C12 C16 H16 107.4 . .
C18 C16 H16 107.4 . .
C17 C16 H16 107.4 . .
C16 C17 H17A 109.5 . .
C16 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C16 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C16 C18 H18A 109.5 . .
C16 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C16 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C24 C19 C20 120.7(3) . .
C24 C19 C6 119.1(2) . .
C20 C19 C6 120.2(2) . .
C21 C20 C19 118.3(3) . .
C21 C20 C25 120.3(3) . .
C19 C20 C25 121.4(3) . .
C22 C21 C20 121.2(3) . .
C22 C21 H21 119.4 . .
C20 C21 H21 119.4 . .
C23 C22 C21 120.1(3) . .
C23 C22 H22 120.0 . .
C21 C22 H22 120.0 . .
C22 C23 C24 121.3(3) . .
C22 C23 H23 119.3 . .
C24 C23 H23 119.3 . .
C23 C24 C19 118.4(3) . .
C23 C24 C28 120.0(3) . .
C19 C24 C28 121.6(3) . .
C20 C25 C27 110.4(3) . .
C20 C25 C26 113.7(3) . .
C27 C25 C26 110.1(3) . .
C20 C25 H25 107.4 . .
C27 C25 H25 107.4 . .
C26 C25 H25 107.4 . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C24 C28 C29 112.2(4) . .
C24 C28 C30 110.5(3) . .
C29 C28 C30 111.1(3) . .
C24 C28 H28 107.6 . .
C29 C28 H28 107.6 . .
C30 C28 H28 107.6 . .
C28 C29 H29A 109.5 . .
C28 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
C28 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
C28 C30 H30A 109.5 . .
C28 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
C28 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Se1 C1 1.930(2) .
Se1 Se2 2.2299(7) .
Se1 Se2 2.2316(8) 2_666
Se2 Se1 2.2316(8) 2_666
Se2 Se2 2.4759(10) 2_666
C1 C2 1.404(4) .
C1 C6 1.409(4) .
C2 C3 1.400(4) .
C2 C7 1.505(4) .
C3 C4 1.396(4) .
C3 H3 0.9500 .
C4 C5 1.393(4) .
C4 H4 0.9500 .
C5 C6 1.395(4) .
C5 H5 0.9500 .
C6 C19 1.499(4) .
C7 C8 1.402(4) .
C7 C12 1.405(4) .
C8 C9 1.403(4) .
C8 C13 1.518(4) .
C9 C10 1.377(5) .
C9 H9 0.9500 .
C10 C11 1.372(5) .
C10 H10 0.9500 .
C11 C12 1.403(4) .
C11 H11 0.9500 .
C12 C16 1.518(4) .
C13 C14 1.522(5) .
C13 C15 1.531(6) .
C13 H13 1.0000 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 C18 1.529(6) .
C16 C17 1.543(5) .
C16 H16 1.0000 .
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 C24 1.406(4) .
C19 C20 1.410(4) .
C20 C21 1.403(4) .
C20 C25 1.521(5) .
C21 C22 1.375(6) .
C21 H21 0.9500 .
C22 C23 1.375(6) .
C22 H22 0.9500 .
C23 C24 1.400(4) .
C23 H23 0.9500 .
C24 C28 1.517(5) .
C25 C27 1.522(6) .
C25 C26 1.540(5) .
C25 H25 1.0000 .
C26 H26A 0.9800 .
C26 H26B 0.9800 .
C26 H26C 0.9800 .
C27 H27A 0.9800 .
C27 H27B 0.9800 .
C27 H27C 0.9800 .
C28 C29 1.527(6) .
C28 C30 1.530(7) .
C28 H28 1.0000 .
C29 H29A 0.9800 .
C29 H29B 0.9800 .
C29 H29C 0.9800 .
C30 H30A 0.9800 .
C30 H30B 0.9800 .
C30 H30C 0.9800 .
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
C6 C1 C2 C3 0.9(4)
Se1 C1 C2 C3 -170.35(19)
C6 C1 C2 C7 178.5(2)
Se1 C1 C2 C7 7.2(3)
C1 C2 C3 C4 -0.7(4)
C7 C2 C3 C4 -178.4(2)
C2 C3 C4 C5 0.2(4)
C3 C4 C5 C6 0.2(4)
C4 C5 C6 C1 0.0(4)
C4 C5 C6 C19 176.6(3)
C2 C1 C6 C5 -0.5(4)
Se1 C1 C6 C5 170.73(19)
C2 C1 C6 C19 -177.1(2)
Se1 C1 C6 C19 -5.8(3)
C3 C2 C7 C8 93.4(3)
C1 C2 C7 C8 -84.1(3)
C3 C2 C7 C12 -86.6(3)
C1 C2 C7 C12 95.9(3)
C12 C7 C8 C9 0.5(4)
C2 C7 C8 C9 -179.5(3)
C12 C7 C8 C13 178.6(3)
C2 C7 C8 C13 -1.5(4)
C7 C8 C9 C10 0.4(5)
C13 C8 C9 C10 -177.8(3)
C8 C9 C10 C11 -1.1(5)
C9 C10 C11 C12 1.0(5)
C10 C11 C12 C7 -0.2(4)
C10 C11 C12 C16 179.2(3)
C8 C7 C12 C11 -0.6(4)
C2 C7 C12 C11 179.4(3)
C8 C7 C12 C16 -179.9(3)
C2 C7 C12 C16 0.1(4)
C7 C8 C13 C14 136.9(3)
C9 C8 C13 C14 -45.0(4)
C7 C8 C13 C15 -98.2(4)
C9 C8 C13 C15 79.9(4)
C11 C12 C16 C18 -87.4(4)
C7 C12 C16 C18 91.9(3)
C11 C12 C16 C17 36.9(4)
C7 C12 C16 C17 -143.8(3)
C5 C6 C19 C24 -90.4(3)
C1 C6 C19 C24 86.1(3)
C5 C6 C19 C20 89.8(3)
C1 C6 C19 C20 -93.7(3)
C24 C19 C20 C21 -0.3(4)
C6 C19 C20 C21 179.5(3)
C24 C19 C20 C25 177.9(3)
C6 C19 C20 C25 -2.4(4)
C19 C20 C21 C22 0.5(5)
C25 C20 C21 C22 -177.7(3)
C20 C21 C22 C23 -0.6(5)
C21 C22 C23 C24 0.5(5)
C22 C23 C24 C19 -0.3(5)
C22 C23 C24 C28 178.4(3)
C20 C19 C24 C23 0.2(5)
C6 C19 C24 C23 -179.6(3)
C20 C19 C24 C28 -178.5(3)
C6 C19 C24 C28 1.7(5)
C21 C20 C25 C27 89.6(4)
C19 C20 C25 C27 -88.5(3)
C21 C20 C25 C26 -34.7(4)
C19 C20 C25 C26 147.1(3)
C23 C24 C28 C29 50.3(5)
C19 C24 C28 C29 -131.1(3)
C23 C24 C28 C30 -74.3(4)
C19 C24 C28 C30 104.3(4)
