#------------------------------------------------------------------------------
#$Date: 2016-03-21 15:01:39 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178734 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/45/4084520.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_4084520
loop_
_publ_author_name
'Fettinger, James C.'
'Gray, Paul A.'
'Melton, Christopher E.'
'Power, Philip P.'
_publ_section_title
;
 Hydroalumination of Alkenes and Alkynes by Primary Aluminum Hydrides
 under Mild Conditions
;
_journal_issue                   21
_journal_name_full               Organometallics
_journal_page_first              6232
_journal_paper_doi               10.1021/om500911f
_journal_volume                  33
_journal_year                    2014
_chemical_formula_moiety         'C60 H78 Al2'
_chemical_formula_sum            'C60 H78 Al2'
_chemical_formula_weight         853.18
_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   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                110.2958(14)
_cell_angle_beta                 98.1894(16)
_cell_angle_gamma                111.3229(17)
_cell_formula_units_Z            1
_cell_length_a                   9.3526(5)
_cell_length_b                   12.7727(6)
_cell_length_c                   12.9546(6)
_cell_measurement_reflns_used    9969
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      72.21
_cell_measurement_theta_min      4.12
_cell_volume                     1286.63(11)
_computing_cell_refinement       'SAINT (8.18C) (Bruker, 2012)'
_computing_data_collection       'Apex2 (2010-11.3) (Bruker, 2010)'
_computing_data_reduction        'SAINT (8.18C) (Bruker, 2012)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.909
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0159
_diffrn_reflns_av_unetI/netI     0.0244
_diffrn_reflns_Laue_measured_fraction_full 0.950
_diffrn_reflns_Laue_measured_fraction_max 0.909
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6259
_diffrn_reflns_point_group_measured_fraction_full 0.950
_diffrn_reflns_point_group_measured_fraction_max 0.909
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         72.201
_diffrn_reflns_theta_min         3.823
_exptl_absorpt_coefficient_mu    0.768
_exptl_absorpt_correction_T_max  0.8607
_exptl_absorpt_correction_T_min  0.7388
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2012/1 (Sheldrick, 2012)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.101
_exptl_crystal_description       Block
_exptl_crystal_F_000             464
_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.300
_exptl_crystal_size_min          0.123
_refine_diff_density_max         0.800
_refine_diff_density_min         -0.261
_refine_diff_density_rms         0.045
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.036
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     296
_refine_ls_number_reflns         4609
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0389
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0576P)²+0.5827P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1062
_refine_ls_wR_factor_ref         0.1066
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4500
_reflns_number_total             4609
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            om500911f_si_002.cif
_cod_data_source_block           CEM074FMI
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2827 2014-09-09 07:05:25Z andrius 

 Adding full bibliography for 4084515--4084521.cif.
;
_cod_database_code               4084520
#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   0.759
_shelx_estimated_absorpt_t_max   0.911
_shelxl_version_number           2013-4
#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
Al1 Al 0.01991(4) 0.10340(3) 0.08415(3) 0.01578(12) Uani 1 1 d . U
H1 H -0.119(2) 0.1304(17) 0.0709(15) 0.035(4) Uiso 1 1 d . .
H2 H -0.0512(16) -0.0556(13) 0.0504(12) 0.0131(6) Uiso 1 1 d . U
C1 C 0.21964(14) 0.20895(11) 0.21574(10) 0.0151(2) Uani 1 1 d . .
C2 C 0.23456(15) 0.19322(11) 0.31874(10) 0.0160(2) Uani 1 1 d . .
C3 C 0.37538(16) 0.27045(12) 0.41222(10) 0.0196(3) Uani 1 1 d . .
H3 H 0.3843 0.2582 0.4807 0.024 Uiso 1 1 calc R U
C4 C 0.50244(15) 0.36487(12) 0.40634(11) 0.0200(3) Uani 1 1 d . .
H4 H 0.5989 0.4158 0.4697 0.024 Uiso 1 1 calc R U
C5 C 0.48792(15) 0.38465(11) 0.30728(11) 0.0184(3) Uani 1 1 d . .
H5 H 0.5737 0.4507 0.3037 0.022 Uiso 1 1 calc R U
C6 C 0.34775(15) 0.30784(11) 0.21287(10) 0.0154(2) Uani 1 1 d . .
C7 C 0.09665(15) 0.09781(11) 0.33216(10) 0.0163(3) Uani 1 1 d . .
C8 C -0.02054(15) 0.12956(12) 0.37364(10) 0.0186(3) Uani 1 1 d . .
C9 C -0.14253(16) 0.04237(13) 0.39171(11) 0.0213(3) Uani 1 1 d . .
H9 H -0.2215 0.0632 0.4201 0.026 Uiso 1 1 calc R U
C10 C -0.15106(16) -0.07424(12) 0.36908(11) 0.0215(3) Uani 1 1 d . .
H10 H -0.2343 -0.1324 0.3831 0.026 Uiso 1 1 calc R U
C11 C -0.03788(16) -0.10600(12) 0.32598(11) 0.0205(3) Uani 1 1 d . .
H11 H -0.0456 -0.1868 0.3093 0.025 Uiso 1 1 calc R U
C12 C 0.08670(15) -0.02207(11) 0.30668(10) 0.0178(3) Uani 1 1 d . .
C13 C -0.01069(17) 0.25909(13) 0.40389(12) 0.0238(3) Uani 1 1 d . .
H13 H 0.0641 0.2995 0.3664 0.029 Uiso 1 1 calc R U
C14 C -0.1737(2) 0.25516(15) 0.35931(15) 0.0378(4) Uani 1 1 d . .
H14A H -0.2201 0.2009 0.2761 0.057 Uiso 1 1 calc R U
H14B H -0.1589 0.3395 0.3735 0.057 Uiso 1 1 calc R U
H14C H -0.2467 0.2226 0.3998 0.057 Uiso 1 1 calc R U
C15 C 0.0608(2) 0.33903(14) 0.53455(14) 0.0383(4) Uani 1 1 d . .
H15A H -0.0122 0.3030 0.5734 0.058 Uiso 1 1 calc R U
H15B H 0.0746 0.4239 0.5523 0.058 Uiso 1 1 calc R U
H15C H 0.1657 0.3415 0.5618 0.058 Uiso 1 1 calc R U
C16 C 0.21244(16) -0.05740(12) 0.26180(11) 0.0212(3) Uani 1 1 d . .
H16 H 0.2627 -0.0016 0.2256 0.025 Uiso 1 1 calc R U
C17 C 0.13834(18) -0.19212(13) 0.16942(12) 0.0260(3) Uani 1 1 d . .
H17A H 0.1000 -0.2491 0.2049 0.039 Uiso 1 1 calc R U
H17B H 0.2200 -0.2068 0.1350 0.039 Uiso 1 1 calc R U
H17C H 0.0476 -0.2067 0.1091 0.039 Uiso 1 1 calc R U
C18 C 0.34677(18) -0.03587(14) 0.36142(13) 0.0299(3) Uani 1 1 d . .
H18A H 0.3975 0.0518 0.4180 0.045 Uiso 1 1 calc R U
H18B H 0.4279 -0.0565 0.3309 0.045 Uiso 1 1 calc R U
H18C H 0.3006 -0.0891 0.3989 0.045 Uiso 1 1 calc R U
C19 C 0.33019(14) 0.33755(11) 0.11068(10) 0.0164(3) Uani 1 1 d . .
C20 C 0.37437(15) 0.28039(11) 0.01471(11) 0.0180(3) Uani 1 1 d . .
C21 C 0.35778(16) 0.31215(12) -0.07742(11) 0.0221(3) Uani 1 1 d . .
H21 H 0.3867 0.2742 -0.1429 0.027 Uiso 1 1 calc R U
C22 C 0.29980(16) 0.39831(13) -0.07511(12) 0.0249(3) Uani 1 1 d . .
H22 H 0.2902 0.4194 -0.1384 0.030 Uiso 1 1 calc R U
C23 C 0.25599(16) 0.45342(12) 0.01887(12) 0.0232(3) Uani 1 1 d . .
H23 H 0.2155 0.5118 0.0194 0.028 Uiso 1 1 calc R U
C24 C 0.27043(15) 0.42451(11) 0.11319(11) 0.0189(3) Uani 1 1 d . .
C25 C 0.44627(16) 0.19113(12) 0.01504(11) 0.0213(3) Uani 1 1 d . .
H25 H 0.3991 0.1483 0.0622 0.026 Uiso 1 1 calc R U
C26 C 0.40996(18) 0.09074(13) -0.10557(12) 0.0288(3) Uani 1 1 d . .
H26A H 0.2935 0.0481 -0.1449 0.043 Uiso 1 1 calc R U
H26B H 0.4469 0.0302 -0.0985 0.043 Uiso 1 1 calc R U
H26C H 0.4662 0.1296 -0.1505 0.043 Uiso 1 1 calc R U
C27 C 0.62931(17) 0.26462(14) 0.07360(12) 0.0267(3) Uani 1 1 d . .
H27A H 0.6781 0.3103 0.0307 0.040 Uiso 1 1 calc R U
H27B H 0.6749 0.2068 0.0743 0.040 Uiso 1 1 calc R U
H27C H 0.6519 0.3237 0.1532 0.040 Uiso 1 1 calc R U
C28 C 0.22566(17) 0.49029(12) 0.21677(12) 0.0235(3) Uani 1 1 d . .
H28 H 0.2316 0.4508 0.2708 0.028 Uiso 1 1 calc R U
C29 C 0.05356(18) 0.47518(14) 0.18236(15) 0.0347(4) Uani 1 1 d . .
H29A H 0.0448 0.5151 0.1310 0.052 Uiso 1 1 calc R U
H29B H 0.0275 0.5145 0.2519 0.052 Uiso 1 1 calc R U
H29C H -0.0219 0.3863 0.1422 0.052 Uiso 1 1 calc R U
C30 C 0.34758(18) 0.62805(13) 0.28162(13) 0.0297(3) Uani 1 1 d . .
H30A H 0.4563 0.6350 0.3043 0.045 Uiso 1 1 calc R U
H30B H 0.3213 0.6677 0.3509 0.045 Uiso 1 1 calc R U
H30C H 0.3431 0.6697 0.2312 0.045 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 0.0181 0.0091 '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'
Al Al 0.2130 0.2455 '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 Al1 Al1 121.96(4) . 2
C1 Al1 H1 124.1(7) . .
Al1 Al1 H1 113.9(7) 2 .
C1 Al1 H2 112.7(4) . .
Al1 Al1 H2 41.0(4) 2 .
H1 Al1 H2 108.2(8) . .
C6 C1 C2 117.83(11) . .
C6 C1 Al1 120.89(9) . .
C2 C1 Al1 121.15(9) . .
C3 C2 C1 120.54(11) . .
C3 C2 C7 118.63(11) . .
C1 C2 C7 120.75(11) . .
C4 C3 C2 120.73(11) . .
C4 C3 H3 119.6 . .
C2 C3 H3 119.6 . .
C3 C4 C5 119.60(11) . .
C3 C4 H4 120.2 . .
C5 C4 H4 120.2 . .
C4 C5 C6 120.29(12) . .
C4 C5 H5 119.9 . .
C6 C5 H5 119.9 . .
C5 C6 C1 120.94(11) . .
C5 C6 C19 119.05(11) . .
C1 C6 C19 119.87(10) . .
C8 C7 C12 120.23(12) . .
C8 C7 C2 119.62(11) . .
C12 C7 C2 120.13(11) . .
C9 C8 C7 118.89(11) . .
C9 C8 C13 119.83(11) . .
C7 C8 C13 121.22(12) . .
C10 C9 C8 121.12(12) . .
C10 C9 H9 119.4 . .
C8 C9 H9 119.4 . .
C9 C10 C11 119.80(12) . .
C9 C10 H10 120.1 . .
C11 C10 H10 120.1 . .
C10 C11 C12 121.30(12) . .
C10 C11 H11 119.4 . .
C12 C11 H11 119.4 . .
C11 C12 C7 118.63(11) . .
C11 C12 C16 120.67(11) . .
C7 C12 C16 120.69(11) . .
C8 C13 C14 112.71(12) . .
C8 C13 C15 110.27(11) . .
C14 C13 C15 110.37(12) . .
C8 C13 H13 107.8 . .
C14 C13 H13 107.8 . .
C15 C13 H13 107.8 . .
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 C17 112.39(11) . .
C12 C16 C18 110.94(10) . .
C17 C16 C18 110.08(11) . .
C12 C16 H16 107.7 . .
C17 C16 H16 107.7 . .
C18 C16 H16 107.7 . .
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 120.68(11) . .
C24 C19 C6 118.71(11) . .
C20 C19 C6 120.61(11) . .
C21 C20 C19 118.49(12) . .
C21 C20 C25 121.07(11) . .
C19 C20 C25 120.37(11) . .
C22 C21 C20 121.06(12) . .
C22 C21 H21 119.5 . .
C20 C21 H21 119.5 . .
C23 C22 C21 120.13(12) . .
C23 C22 H22 119.9 . .
C21 C22 H22 119.9 . .
C22 C23 C24 120.87(12) . .
C22 C23 H23 119.6 . .
C24 C23 H23 119.6 . .
C23 C24 C19 118.77(12) . .
C23 C24 C28 119.25(11) . .
C19 C24 C28 121.96(11) . .
C20 C25 C26 113.65(11) . .
C20 C25 C27 109.78(11) . .
C26 C25 C27 109.71(11) . .
C20 C25 H25 107.8 . .
C26 C25 H25 107.8 . .
C27 C25 H25 107.8 . .
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 112.14(12) . .
C24 C28 C30 110.50(11) . .
C29 C28 C30 111.19(11) . .
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
Al1 C1 1.9698(12) .
Al1 Al1 2.6321(7) 2
Al1 H1 1.463(17) .
Al1 H2 1.755(14) .
C1 C6 1.4061(18) .
C1 C2 1.4119(17) .
C2 C3 1.3951(18) .
C2 C7 1.4988(18) .
C3 C4 1.3854(19) .
C3 H3 0.9500 .
C4 C5 1.3890(18) .
C4 H4 0.9500 .
C5 C6 1.3972(18) .
C5 H5 0.9500 .
C6 C19 1.5019(16) .
C7 C8 1.4121(17) .
C7 C12 1.4139(17) .
C8 C9 1.3891(19) .
C8 C13 1.5259(17) .
C9 C10 1.3838(19) .
C9 H9 0.9500 .
C10 C11 1.3858(19) .
C10 H10 0.9500 .
C11 C12 1.3892(19) .
C11 H11 0.9500 .
C12 C16 1.5243(17) .
C13 C14 1.528(2) .
C13 C15 1.529(2) .
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 C17 1.5301(18) .
C16 C18 1.5363(19) .
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 1.4066(17) .
C19 C20 1.4090(17) .
C20 C21 1.3936(18) .
C20 C25 1.5206(17) .
C21 C22 1.386(2) .
C21 H21 0.9500 .
C22 C23 1.379(2) .
C22 H22 0.9500 .
C23 C24 1.3963(18) .
C23 H23 0.9500 .
C24 C28 1.5218(18) .
C25 C26 1.5307(18) .
C25 C27 1.5344(19) .
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 1.5286(19) .
C28 C30 1.5312(19) .
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 -2.77(17)
Al1 C1 C2 C3 -178.57(9)
C6 C1 C2 C7 174.05(10)
Al1 C1 C2 C7 -1.74(15)
C1 C2 C3 C4 0.75(18)
C7 C2 C3 C4 -176.14(11)
C2 C3 C4 C5 1.51(19)
C3 C4 C5 C6 -1.66(18)
C4 C5 C6 C1 -0.44(18)
C4 C5 C6 C19 175.28(11)
C2 C1 C6 C5 2.62(17)
Al1 C1 C6 C5 178.43(9)
C2 C1 C6 C19 -173.06(10)
Al1 C1 C6 C19 2.75(15)
C3 C2 C7 C8 89.75(14)
C1 C2 C7 C8 -87.13(14)
C3 C2 C7 C12 -88.37(14)
C1 C2 C7 C12 94.75(14)
C12 C7 C8 C9 1.68(17)
C2 C7 C8 C9 -176.44(11)
C12 C7 C8 C13 178.84(11)
C2 C7 C8 C13 0.72(17)
C7 C8 C9 C10 -0.41(18)
C13 C8 C9 C10 -177.61(11)
C8 C9 C10 C11 -1.00(19)
C9 C10 C11 C12 1.15(19)
C10 C11 C12 C7 0.11(18)
C10 C11 C12 C16 178.62(11)
C8 C7 C12 C11 -1.53(17)
C2 C7 C12 C11 176.58(11)
C8 C7 C12 C16 179.97(11)
C2 C7 C12 C16 -1.92(17)
C9 C8 C13 C14 -46.56(17)
C7 C8 C13 C14 136.30(13)
C9 C8 C13 C15 77.27(16)
C7 C8 C13 C15 -99.86(15)
C11 C12 C16 C17 39.91(16)
C7 C12 C16 C17 -141.62(12)
C11 C12 C16 C18 -83.81(15)
C7 C12 C16 C18 94.66(14)
C5 C6 C19 C24 -84.88(14)
C1 C6 C19 C24 90.88(14)
C5 C6 C19 C20 94.45(14)
C1 C6 C19 C20 -89.79(14)
C24 C19 C20 C21 0.12(18)
C6 C19 C20 C21 -179.20(11)
C24 C19 C20 C25 177.10(11)
C6 C19 C20 C25 -2.22(18)
C19 C20 C21 C22 0.24(19)
C25 C20 C21 C22 -176.72(12)
C20 C21 C22 C23 -0.6(2)
C21 C22 C23 C24 0.6(2)
C22 C23 C24 C19 -0.20(19)
C22 C23 C24 C28 178.14(12)
C20 C19 C24 C23 -0.14(18)
C6 C19 C24 C23 179.19(11)
C20 C19 C24 C28 -178.43(11)
C6 C19 C24 C28 0.90(17)
C21 C20 C25 C26 -32.40(17)
C19 C20 C25 C26 150.70(12)
C21 C20 C25 C27 90.89(14)
C19 C20 C25 C27 -86.01(14)
C23 C24 C28 C29 55.49(16)
C19 C24 C28 C29 -126.22(13)
C23 C24 C28 C30 -69.18(15)
C19 C24 C28 C30 109.11(13)
