#------------------------------------------------------------------------------
#$Date: 2016-02-16 18:55:33 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176466 $
#$URL: svn://www.crystallography.net/cod/cif/8/00/01/8000168.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_8000168
loop_
_publ_author_name
'Arashiba, Kazuya'
'Tanabe, Yoshiaki'
'Ishii, Youichi'
_publ_section_title
;
 Synthesis and Reactivities of Sulfido-bridged Ir--W and Ir--Re
 Heterodinuclear Complexes with Imido Ligands
;
_journal_issue                   5
_journal_name_full               'Chemistry Letters'
_journal_page_first              622
_journal_paper_doi               10.1246/cl.2007.622
_journal_volume                  36
_journal_year                    2007
_chemical_formula_moiety         'C25 H41 Ir N P S3 W '
_chemical_formula_sum            'C25 H41 Ir N P S3 W'
_chemical_formula_weight         858.83
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 102.0544(19)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.5917(16)
_cell_length_b                   14.842(2)
_cell_length_c                   21.050(4)
_cell_measurement_reflns_used    8267
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.2
_cell_volume                     2930.6(8)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            21644
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    8.758
_exptl_absorpt_correction_T_max  0.269
_exptl_absorpt_correction_T_min  0.076
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.946
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1648.00
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.70
_exptl_crystal_size_min          0.15
_refine_diff_density_max         4.01
_refine_diff_density_min         -3.84
_refine_ls_extinction_coef       1(4)
_refine_ls_extinction_method
'Larson (1970) Crystallographic Computing eq. 22'
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     331
_refine_ls_number_reflns         5526
_refine_ls_R_factor_gt           0.0467
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[0.0001Fo² + 2.4000σ(Fo²)]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0505
_reflns_number_gt                5526
_reflns_number_total             6643
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            36-622sup1.cif
_cod_data_source_block           '__Cp*Ir(PMe3)(m-S)2W(S)(NAr)'
_cod_original_cell_volume        2930.5(9)
_cod_original_formula_sum        'C25 H41 Ir N P S3 W '
_cod_database_code               8000168
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 +X,+Y,+Z
2 1/2-X,1/2+Y,1/2-Z
3 -X,-Y,-Z
4 1/2+X,1/2-Y,1/2+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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ir(1) Ir 0.37640(3) 0.18885(2) 0.569350(10) 0.02257(8) Uani 1.00 1 d .
W(1) W 0.21465(3) 0.20532(2) 0.437390(10) 0.01786(8) Uani 1.00 1 d .
S(1) S 0.4055(2) 0.11381(14) 0.47236(9) 0.0308(5) Uani 1.00 1 d .
S(2) S 0.1367(2) 0.24027(12) 0.52919(9) 0.0247(4) Uani 1.00 1 d .
S(3) S 0.0535(2) 0.13642(16) 0.36574(10) 0.0435(6) Uani 1.00 1 d .
P(1) P 0.2767(2) 0.06007(13) 0.59978(10) 0.0279(5) Uani 1.00 1 d .
N(1) N 0.2667(6) 0.3038(4) 0.4024(2) 0.0245(17) Uani 1.00 1 d .
C(1) C 0.5800(11) 0.2631(8) 0.5702(4) 0.056(3) Uani 1.00 1 d .
C(2) C 0.4761(12) 0.3267(6) 0.5827(4) 0.053(2) Uani 1.00 1 d .
C(3) C 0.4306(9) 0.2974(5) 0.6426(4) 0.034(2) Uani 1.00 1 d .
C(4) C 0.5167(9) 0.2214(6) 0.6653(4) 0.041(2) Uani 1.00 1 d .
C(5) C 0.5999(10) 0.1981(8) 0.6199(4) 0.059(3) Uani 1.00 1 d .
C(6) C 0.6511(14) 0.2720(12) 0.5130(5) 0.135(6) Uani 1.00 1 d .
C(7) C 0.4182(13) 0.4108(6) 0.5486(5) 0.080(4) Uani 1.00 1 d .
C(8) C 0.3316(10) 0.3435(5) 0.6773(4) 0.048(2) Uani 1.00 1 d .
C(9) C 0.5248(10) 0.1790(5) 0.7304(3) 0.043(2) Uani 1.00 1 d .
C(10) C 0.7110(11) 0.1228(9) 0.6268(5) 0.084(4) Uani 1.00 1 d .
C(11) C 0.3988(11) -0.0190(5) 0.6480(4) 0.050(3) Uani 1.00 1 d .
C(12) C 0.1865(10) -0.0131(5) 0.5355(4) 0.042(2) Uani 1.00 1 d .
C(13) C 0.1476(11) 0.0810(6) 0.6498(4) 0.049(3) Uani 1.00 1 d .
C(14) C 0.2924(8) 0.3769(5) 0.3657(3) 0.0236(19) Uani 1.00 1 d .
C(15) C 0.3963(8) 0.3706(5) 0.3277(3) 0.0231(19) Uani 1.00 1 d .
C(16) C 0.4145(9) 0.4439(5) 0.2878(3) 0.034(2) Uani 1.00 1 d .
C(17) C 0.3337(9) 0.5210(5) 0.2874(3) 0.033(2) Uani 1.00 1 d .
C(18) C 0.2368(9) 0.5273(5) 0.3255(4) 0.035(2) Uani 1.00 1 d .
C(19) C 0.2116(8) 0.4571(5) 0.3661(3) 0.029(2) Uani 1.00 1 d .
C(20) C 0.1008(9) 0.4639(5) 0.4075(4) 0.034(2) Uani 1.00 1 d .
C(21) C 0.0864(14) 0.5549(6) 0.4344(5) 0.075(4) Uani 1.00 1 d .
C(22) C -0.0423(9) 0.4335(7) 0.3708(4) 0.052(3) Uani 1.00 1 d .
C(23) C 0.4835(9) 0.2850(5) 0.3271(4) 0.032(2) Uani 1.00 1 d .
C(24) C 0.6412(10) 0.3030(6) 0.3326(5) 0.054(3) Uani 1.00 1 d .
C(25) C 0.4227(13) 0.2300(6) 0.2660(5) 0.073(3) Uani 1.00 1 d .
H(1) H 0.7107 0.0887 0.6650 0.098 Uiso 1.00 1 c R
H(2) H 0.8022 0.1494 0.6297 0.098 Uiso 1.00 1 c R
H(3) H 0.6906 0.0842 0.5900 0.098 Uiso 1.00 1 c R
H(4) H 0.7186 0.2244 0.5174 0.166 Uiso 1.00 1 c R
H(5) H 0.6988 0.3281 0.5132 0.166 Uiso 1.00 1 c R
H(6) H 0.5837 0.2653 0.4732 0.166 Uiso 1.00 1 c R
H(7) H 0.4532 0.4170 0.5098 0.089 Uiso 1.00 1 c R
H(8) H 0.4471 0.4612 0.5760 0.089 Uiso 1.00 1 c R
H(9) H 0.3170 0.4078 0.5382 0.089 Uiso 1.00 1 c R
H(10) H 0.2911 0.3946 0.6532 0.055 Uiso 1.00 1 c R
H(11) H 0.3828 0.3621 0.7188 0.055 Uiso 1.00 1 c R
H(12) H 0.2579 0.3031 0.6824 0.055 Uiso 1.00 1 c R
H(13) H 0.4612 0.2092 0.7522 0.050 Uiso 1.00 1 c R
H(14) H 0.6193 0.1837 0.7552 0.050 Uiso 1.00 1 c R
H(15) H 0.4988 0.1173 0.7250 0.050 Uiso 1.00 1 c R
H(16) H 0.4330 -0.0602 0.6202 0.060 Uiso 1.00 1 c R
H(17) H 0.3508 -0.0513 0.6760 0.060 Uiso 1.00 1 c R
H(18) H 0.4769 0.0130 0.6732 0.060 Uiso 1.00 1 c R
H(19) H 0.0889 0.0038 0.5239 0.053 Uiso 1.00 1 c R
H(20) H 0.1935 -0.0737 0.5503 0.053 Uiso 1.00 1 c R
H(21) H 0.2286 -0.0078 0.4986 0.053 Uiso 1.00 1 c R
H(22) H 0.1943 0.0815 0.6943 0.063 Uiso 1.00 1 c R
H(23) H 0.0772 0.0349 0.6428 0.063 Uiso 1.00 1 c R
H(24) H 0.1034 0.1377 0.6385 0.063 Uiso 1.00 1 c R
H(25) H 0.4824 0.4402 0.2609 0.041 Uiso 1.00 1 c R
H(26) H 0.3475 0.5704 0.2607 0.041 Uiso 1.00 1 c R
H(27) H 0.1818 0.5808 0.3242 0.041 Uiso 1.00 1 c R
H(28) H 0.1293 0.4240 0.4431 0.041 Uiso 1.00 1 c R
H(29) H 0.1516 0.5621 0.4748 0.096 Uiso 1.00 1 c R
H(30) H -0.0081 0.5635 0.4405 0.096 Uiso 1.00 1 c R
H(31) H 0.1068 0.5981 0.4043 0.096 Uiso 1.00 1 c R
H(32) H -0.0928 0.4842 0.3501 0.067 Uiso 1.00 1 c R
H(33) H -0.0953 0.4065 0.3992 0.066 Uiso 1.00 1 c R
H(34) H -0.0290 0.3909 0.3389 0.067 Uiso 1.00 1 c R
H(35) H 0.4740 0.2505 0.3640 0.039 Uiso 1.00 1 c R
H(36) H 0.6610 0.3106 0.2905 0.068 Uiso 1.00 1 c R
H(37) H 0.6956 0.2540 0.3538 0.068 Uiso 1.00 1 c R
H(38) H 0.6656 0.3564 0.3572 0.068 Uiso 1.00 1 c R
H(39) H 0.3530 0.1896 0.2756 0.080 Uiso 1.00 1 c R
H(40) H 0.4974 0.1967 0.2537 0.080 Uiso 1.00 1 c R
H(41) H 0.3800 0.2687 0.2314 0.080 Uiso 1.00 1 c R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.000 0.000
;
International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.4)
;
N N 0.006 0.003
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.102 0.094
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.125 0.123
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
W W -0.849 6.872
;
International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ir Ir -1.444 7.990
;
International Tables for Crystallography
(1992, 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
W(1) Ir(1) S(1) 49.85(4)
W(1) Ir(1) S(2) 49.75(4)
W(1) Ir(1) P(1) 99.65(4)
W(1) Ir(1) C(1) 104.9(2)
W(1) Ir(1) C(2) 99.9(2)
W(1) Ir(1) C(3) 127.4(2)
W(1) Ir(1) C(4) 161.8(2)
W(1) Ir(1) C(5) 137.3(2)
S(1) Ir(1) S(2) 96.96(6)
S(1) Ir(1) P(1) 88.86(7)
S(1) Ir(1) C(1) 88.8(2)
S(1) Ir(1) C(2) 114.0(2)
S(1) Ir(1) C(3) 151.7(2)
S(1) Ir(1) C(4) 135.8(2)
S(1) Ir(1) C(5) 99.6(2)
S(2) Ir(1) P(1) 86.49(7)
S(2) Ir(1) C(1) 128.0(3)
S(2) Ir(1) C(2) 96.1(2)
S(2) Ir(1) C(3) 94.7(2)
S(2) Ir(1) C(4) 126.9(2)
S(2) Ir(1) C(5) 156.8(3)
P(1) Ir(1) C(1) 145.5(2)
P(1) Ir(1) C(2) 156.4(2)
P(1) Ir(1) C(3) 117.6(2)
P(1) Ir(1) C(4) 97.8(2)
P(1) Ir(1) C(5) 109.9(3)
C(1) Ir(1) C(2) 37.3(4)
C(1) Ir(1) C(3) 63.8(3)
C(1) Ir(1) C(4) 61.7(3)
C(1) Ir(1) C(5) 37.0(4)
C(2) Ir(1) C(3) 38.8(3)
C(2) Ir(1) C(4) 62.0(3)
C(2) Ir(1) C(5) 62.3(4)
C(3) Ir(1) C(4) 37.2(3)
C(3) Ir(1) C(5) 63.4(3)
C(4) Ir(1) C(5) 37.1(3)
Ir(1) W(1) S(1) 53.51(4)
Ir(1) W(1) S(2) 53.77(4)
Ir(1) W(1) S(3) 141.81(6)
Ir(1) W(1) N(1) 109.31(18)
S(1) W(1) S(2) 104.27(6)
S(1) W(1) S(3) 110.54(8)
S(1) W(1) N(1) 110.7(2)
S(2) W(1) S(3) 112.60(8)
S(2) W(1) N(1) 109.9(2)
S(3) W(1) N(1) 108.87(19)
Ir(1) S(1) W(1) 76.63(6)
Ir(1) S(2) W(1) 76.48(6)
Ir(1) P(1) C(11) 116.1(3)
Ir(1) P(1) C(12) 117.1(3)
Ir(1) P(1) C(13) 113.3(3)
C(11) P(1) C(12) 100.5(3)
C(11) P(1) C(13) 103.0(4)
C(12) P(1) C(13) 105.0(4)
W(1) N(1) C(14) 170.7(5)
Ir(1) C(1) C(2) 71.8(6)
Ir(1) C(1) C(5) 69.6(6)
Ir(1) C(1) C(6) 125.2(7)
C(2) C(1) C(5) 107.8(9)
C(2) C(1) C(6) 122.3(10)
C(5) C(1) C(6) 129.9(11)
Ir(1) C(2) C(1) 70.9(6)
Ir(1) C(2) C(3) 69.3(5)
Ir(1) C(2) C(7) 126.6(7)
C(1) C(2) C(3) 107.5(7)
C(1) C(2) C(7) 131.9(10)
C(3) C(2) C(7) 120.6(9)
Ir(1) C(3) C(2) 71.9(4)
Ir(1) C(3) C(4) 72.1(4)
Ir(1) C(3) C(8) 126.7(6)
C(2) C(3) C(4) 105.4(8)
C(2) C(3) C(8) 128.1(7)
C(4) C(3) C(8) 126.1(8)
Ir(1) C(4) C(3) 70.7(4)
Ir(1) C(4) C(5) 69.8(4)
Ir(1) C(4) C(9) 130.1(6)
C(3) C(4) C(5) 109.8(8)
C(3) C(4) C(9) 123.9(8)
C(5) C(4) C(9) 126.1(8)
Ir(1) C(5) C(1) 73.4(5)
Ir(1) C(5) C(4) 73.1(5)
Ir(1) C(5) C(10) 126.3(8)
C(1) C(5) C(4) 109.1(10)
C(1) C(5) C(10) 123.7(9)
C(4) C(5) C(10) 126.7(9)
N(1) C(14) C(15) 119.8(6)
N(1) C(14) C(19) 119.5(7)
C(15) C(14) C(19) 120.7(7)
C(14) C(15) C(16) 118.7(7)
C(14) C(15) C(23) 121.0(6)
C(16) C(15) C(23) 120.3(7)
C(15) C(16) C(17) 120.3(8)
C(16) C(17) C(18) 120.6(8)
C(17) C(18) C(19) 122.6(7)
C(14) C(19) C(18) 117.1(7)
C(14) C(19) C(20) 120.6(6)
C(18) C(19) C(20) 122.3(7)
C(19) C(20) C(21) 114.4(8)
C(19) C(20) C(22) 111.2(7)
C(21) C(20) C(22) 108.9(8)
C(15) C(23) C(24) 113.2(6)
C(15) C(23) C(25) 109.7(6)
C(24) C(23) C(25) 110.8(8)
C(1) C(6) H(4) 105.6
C(1) C(6) H(5) 111.8
C(1) C(6) H(6) 111.0
H(4) C(6) H(5) 109.5
H(4) C(6) H(6) 109.5
H(5) C(6) H(6) 109.5
C(2) C(7) H(7) 109.3
C(2) C(7) H(8) 109.7
C(2) C(7) H(9) 109.4
H(7) C(7) H(8) 109.5
H(7) C(7) H(9) 109.5
H(8) C(7) H(9) 109.5
C(3) C(8) H(10) 109.8
C(3) C(8) H(11) 109.1
C(3) C(8) H(12) 109.5
H(10) C(8) H(11) 109.5
H(10) C(8) H(12) 109.5
H(11) C(8) H(12) 109.5
C(4) C(9) H(13) 109.2
C(4) C(9) H(14) 109.6
C(4) C(9) H(15) 109.5
H(13) C(9) H(14) 109.5
H(13) C(9) H(15) 109.5
H(14) C(9) H(15) 109.5
C(5) C(10) H(1) 110.0(12)
C(5) C(10) H(2) 108.4(14)
C(5) C(10) H(3) 110.0
H(1) C(10) H(2) 109.5(13)
H(1) C(10) H(3) 109.5
H(2) C(10) H(3) 109.5
P(1) C(11) H(16) 109.7
P(1) C(11) H(17) 109.5
P(1) C(11) H(18) 109.3
H(16) C(11) H(17) 109.5
H(16) C(11) H(18) 109.5
H(17) C(11) H(18) 109.5
P(1) C(12) H(19) 108.9
P(1) C(12) H(20) 109.5
P(1) C(12) H(21) 110.0
H(19) C(12) H(20) 109.5
H(19) C(12) H(21) 109.5
H(20) C(12) H(21) 109.5
P(1) C(13) H(22) 109.6
P(1) C(13) H(23) 109.6
P(1) C(13) H(24) 109.2
H(22) C(13) H(23) 109.5
H(22) C(13) H(24) 109.5
H(23) C(13) H(24) 109.5
C(15) C(16) H(25) 119.8
C(17) C(16) H(25) 119.9
C(16) C(17) H(26) 119.7
C(18) C(17) H(26) 119.7
C(17) C(18) H(27) 119.2
C(19) C(18) H(27) 118.3
C(19) C(20) H(28) 107.0
C(21) C(20) H(28) 107.4
C(22) C(20) H(28) 107.5
C(20) C(21) H(29) 110.4
C(20) C(21) H(30) 109.9
C(20) C(21) H(31) 108.2
H(29) C(21) H(30) 109.5
H(29) C(21) H(31) 109.5
H(30) C(21) H(31) 109.5
C(20) C(22) H(32) 108.8
C(20) C(22) H(33) 110.8
C(20) C(22) H(34) 108.7
H(32) C(22) H(33) 109.5
H(32) C(22) H(34) 109.5
H(33) C(22) H(34) 109.5
C(15) C(23) H(35) 107.3
C(24) C(23) H(35) 107.3
C(25) C(23) H(35) 108.3
C(23) C(24) H(36) 110.0
C(23) C(24) H(37) 110.0
C(23) C(24) H(38) 108.5
H(36) C(24) H(37) 109.5
H(36) C(24) H(38) 109.5
H(37) C(24) H(38) 109.5
C(23) C(25) H(39) 108.7
C(23) C(25) H(40) 109.3
C(23) C(25) H(41) 110.4
H(39) C(25) H(40) 109.5
H(39) C(25) H(41) 109.5
H(40) C(25) H(41) 109.5
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
Ir(1) W(1) 2.8952(2)
Ir(1) S(1) 2.393(2)
Ir(1) S(2) 2.402(2)
Ir(1) P(1) 2.288(2)
Ir(1) C(1) 2.239(11)
Ir(1) C(2) 2.251(9)
Ir(1) C(3) 2.215(8)
Ir(1) C(4) 2.233(7)
Ir(1) C(5) 2.190(9)
W(1) S(1) 2.275(2)
W(1) S(2) 2.273(2)
W(1) S(3) 2.176(2)
W(1) N(1) 1.755(6)
P(1) C(11) 1.812(9)
P(1) C(12) 1.809(8)
P(1) C(13) 1.813(11)
N(1) C(14) 1.383(9)
C(1) C(2) 1.436(16)
C(1) C(5) 1.407(15)
C(1) C(6) 1.509(17)
C(2) C(3) 1.483(13)
C(2) C(7) 1.488(13)
C(3) C(4) 1.419(12)
C(3) C(8) 1.481(14)
C(4) C(5) 1.409(14)
C(4) C(9) 1.495(12)
C(5) C(10) 1.531(17)
C(14) C(15) 1.406(11)
C(14) C(19) 1.422(11)
C(15) C(16) 1.407(11)
C(15) C(23) 1.522(11)
C(16) C(17) 1.381(11)
C(17) C(18) 1.351(13)
C(18) C(19) 1.400(11)
C(19) C(20) 1.511(13)
C(20) C(21) 1.483(13)
C(20) C(22) 1.497(11)
C(23) C(24) 1.516(13)
C(23) C(25) 1.532(12)
C(6) H(4) 0.950
C(6) H(5) 0.950
C(6) H(6) 0.950
C(7) H(7) 0.950
C(7) H(8) 0.950
C(7) H(9) 0.950
C(8) H(10) 0.950
C(8) H(11) 0.950
C(8) H(12) 0.950
C(9) H(13) 0.950
C(9) H(14) 0.950
C(9) H(15) 0.950
C(10) H(1) 0.950(16)
C(10) H(2) 0.950(16)
C(10) H(3) 0.950
C(11) H(16) 0.950
C(11) H(17) 0.950
C(11) H(18) 0.950
C(12) H(19) 0.950
C(12) H(20) 0.950
C(12) H(21) 0.950
C(13) H(22) 0.950
C(13) H(23) 0.950
C(13) H(24) 0.950
C(16) H(25) 0.950
C(17) H(26) 0.950
C(18) H(27) 0.950
C(20) H(28) 0.950
C(21) H(29) 0.950
C(21) H(30) 0.950
C(21) H(31) 0.950
C(22) H(32) 0.950
C(22) H(33) 0.950
C(22) H(34) 0.950
C(23) H(35) 0.950
C(24) H(36) 0.950
C(24) H(37) 0.950
C(24) H(38) 0.950
C(25) H(39) 0.950
C(25) H(40) 0.950
C(25) H(41) 0.950
