#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/48/2214888.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2214888
loop_
_publ_author_name
'Young, John F.'
'Yap, Glenn P. A.'
_publ_section_title
(P)-Tetra-μ₃-iodido-tetrakis[(cyclohexyldiphenylphosphine-κP)silver(I)]
_journal_coeditor_code           WM2128
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2075
_journal_page_last               m2075
_journal_paper_doi               10.1107/S1600536807031911
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Ag4 I4 (C18 H21 P)4]'
_chemical_formula_moiety         'C72 H84 Ag4 I4 P4'
_chemical_formula_sum            'C72 H84 Ag4 I4 P4'
_chemical_formula_weight         2012.35
_chemical_name_systematic
;
(P)-Tetra-μ₃-iodido-tetrakis[(cyclohexyldiphenylphosphine-\kP)silver(I)]
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 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                 104.145(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.698(9)
_cell_length_b                   12.404(5)
_cell_length_c                   24.328(9)
_cell_measurement_reflns_used    998
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      26.64
_cell_measurement_theta_min      2.38
_cell_volume                     7227(5)
_computing_cell_refinement       'SAINT (Bruker, 2002)'
_computing_data_collection       'SMART (Bruker, 2002)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 2002)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean 836.6
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       ω
_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  0.0409
_diffrn_reflns_limit_h_max       32
_diffrn_reflns_limit_h_min       -32
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            42119
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.34
_diffrn_reflns_theta_min         1.71
_diffrn_standards_decay_%        1
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.905
_exptl_absorpt_correction_T_max  0.7665
_exptl_absorpt_correction_T_min  0.6516
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2002)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.849
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3904
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.09
_refine_diff_density_max         2.484
_refine_diff_density_min         -1.265
_refine_ls_abs_structure_details 'Flack (1983), 7870 Friedel pairs'
_refine_ls_abs_structure_Flack   -0.029(18)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.050
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     742
_refine_ls_number_reflns         16990
_refine_ls_number_restraints     327
_refine_ls_restrained_S_all      1.050
_refine_ls_R_factor_all          0.0495
_refine_ls_R_factor_gt           0.0431
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0456P)²+26.0708P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1014
_refine_ls_wR_factor_ref         0.1068
_reflns_number_gt                15397
_reflns_number_total             16990
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            wm2128.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      'C 2'
_cod_database_code               2214888
_cod_database_fobs_code          2214888
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z'
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
Ag Ag1 0.57326(3) 0.94301(5) 0.52831(3) 0.06118(18) Uani d . 1 . .
Ag Ag2 0.49338(3) 0.74512(5) 0.57164(2) 0.04812(14) Uani d . 1 . .
Ag Ag3 1.01975(3) 0.55462(5) 0.07637(3) 0.05755(17) Uani d . 1 . .
Ag Ag4 0.93112(2) 0.35289(4) 0.00325(3) 0.04431(13) Uani d . 1 . .
I I1 0.591930(19) 0.70934(4) 0.53562(2) 0.04137(11) Uani d . 1 . .
I I2 0.48125(2) 0.97682(4) 0.58617(2) 0.05396(13) Uani d . 1 . .
I I3 0.90958(2) 0.58414(3) 0.00354(2) 0.04997(13) Uani d . 1 . .
I I4 1.027377(18) 0.32713(3) 0.098437(18) 0.03722(9) Uani d . 1 . .
P P1 0.65521(8) 1.04838(16) 0.57606(8) 0.0425(4) Uani d D 1 . .
P P2 0.46790(7) 0.64854(14) 0.64952(7) 0.0333(3) Uani d . 1 . .
P P3 1.04524(11) 0.66022(16) 0.16369(9) 0.0521(5) Uani d D 1 . .
P P4 0.84888(7) 0.24331(15) 0.00446(7) 0.0372(4) Uani d D 1 . .
C C1 0.6946(3) 1.1312(6) 0.4848(3) 0.0504(18) Uani d . 1 . .
H H1A 0.6815 1.2028 0.4941 0.060 Uiso calc R 1 A .
H H1B 0.6633 1.0954 0.4577 0.060 Uiso calc R 1 . .
C C2 0.7433(3) 1.1453(6) 0.4577(4) 0.056(2) Uani d . 1 A .
H H2A 0.7732 1.1868 0.4837 0.067 Uiso calc R 1 . .
H H2B 0.7309 1.1870 0.4222 0.067 Uiso calc R 1 . .
C C3 0.7666(4) 1.0373(7) 0.4447(4) 0.055(2) Uani d . 1 . .
H H3A 0.7382 0.9995 0.4152 0.066 Uiso calc R 1 A .
H H3B 0.7999 1.0496 0.4296 0.066 Uiso calc R 1 . .
C C4 0.7824(4) 0.9681(8) 0.4965(4) 0.063(2) Uani d . 1 A .
H H4A 0.8144 1.0010 0.5239 0.076 Uiso calc R 1 . .
H H4B 0.7941 0.8962 0.4860 0.076 Uiso calc R 1 . .
C C5 0.7329(4) 0.9549(6) 0.5246(4) 0.055(2) Uani d . 1 . .
H H5A 0.7024 0.9144 0.4989 0.066 Uiso calc R 1 A .
H H5B 0.7452 0.9131 0.5602 0.066 Uiso calc R 1 . .
C C6 0.7114(3) 1.0649(6) 0.5376(3) 0.0465(17) Uani d . 1 A .
H H6A 0.7431 1.1030 0.5638 0.056 Uiso calc R 1 . .
C C7 0.7451(7) 1.0293(11) 0.6723(6) 0.049(3) Uani d PGU 0.67(4) A 1
H H7A 0.7581 1.0949 0.6599 0.059 Uiso calc PR 0.67(4) A 1
C C8 0.7783(4) 0.9733(16) 0.7177(6) 0.065(3) Uani d PGU 0.67(4) A 1
H H8A 0.8140 1.0007 0.7364 0.078 Uiso calc PR 0.67(4) A 1
C C9 0.7593(8) 0.8773(13) 0.7358(6) 0.084(5) Uani d PGU 0.67(4) A 1
H H9A 0.7820 0.8391 0.7668 0.101 Uiso calc PR 0.67(4) A 1
C C10 0.7071(10) 0.8373(14) 0.7084(7) 0.091(6) Uani d PGU 0.67(4) A 1
H H10A 0.6942 0.7717 0.7208 0.109 Uiso calc PR 0.67(4) A 1
C C11 0.6739(7) 0.8933(16) 0.6630(7) 0.073(5) Uani d PGU 0.67(4) A 1
H H11A 0.6383 0.8659 0.6443 0.088 Uiso calc PR 0.67(4) A 1
C C12 0.6929(6) 0.9892(11) 0.6449(5) 0.048(2) Uani d PGDU 0.67(4) A 1
C C73 0.7553(11) 1.002(3) 0.6688(12) 0.049(3) Uani d PGU 0.33(4) A 2
H H73A 0.7789 1.0477 0.6534 0.059 Uiso calc PR 0.33(4) A 2
C C74 0.7773(10) 0.944(3) 0.7179(13) 0.065(3) Uani d PGU 0.33(4) A 2
H H74A 0.8159 0.9494 0.7361 0.078 Uiso calc PR 0.33(4) A 2
C C75 0.7428(18) 0.877(3) 0.7405(12) 0.084(5) Uani d PGU 0.33(4) A 2
H H75A 0.7579 0.8376 0.7741 0.101 Uiso calc PR 0.33(4) A 2
C C76 0.6864(17) 0.869(3) 0.7139(16) 0.091(6) Uani d PGU 0.33(4) A 2
H H76A 0.6628 0.8241 0.7293 0.109 Uiso calc PR 0.33(4) A 2
C C77 0.6644(11) 0.928(3) 0.6647(15) 0.073(5) Uani d PGU 0.33(4) A 2
H H77A 0.6258 0.9224 0.6465 0.088 Uiso calc PR 0.33(4) A 2
C C78 0.6989(12) 0.994(2) 0.6422(10) 0.048(2) Uani d PGDU 0.33(4) A 2
C C13 0.6649(4) 1.2421(7) 0.6414(4) 0.056(2) Uani d . 1 . .
H H13A 0.6908 1.2052 0.6707 0.067 Uiso calc R 1 A .
C C14 0.6532(4) 1.3491(7) 0.6486(4) 0.056(2) Uani d . 1 A .
H H14A 0.6694 1.3842 0.6834 0.068 Uiso calc R 1 . .
C C15 0.6181(4) 1.4050(7) 0.6054(4) 0.054(2) Uani d . 1 . .
H H15A 0.6113 1.4795 0.6097 0.065 Uiso calc R 1 A .
C C16 0.5931(4) 1.3525(7) 0.5562(4) 0.058(2) Uani d . 1 A .
H H16A 0.5688 1.3911 0.5265 0.069 Uiso calc R 1 . .
C C17 0.6029(4) 1.2434(8) 0.5491(4) 0.058(2) Uani d . 1 . .
H H17A 0.5845 1.2074 0.5152 0.069 Uiso calc R 1 A .
C C18 0.6396(3) 1.1876(6) 0.5920(3) 0.0392(15) Uani d . 1 A .
C C19 0.5484(3) 0.7426(6) 0.7368(4) 0.0514(18) Uani d . 1 . .
H H19A 0.5196 0.7974 0.7382 0.062 Uiso calc R 1 . .
H H19B 0.5691 0.7669 0.7090 0.062 Uiso calc R 1 . .
C C20 0.5890(4) 0.7326(7) 0.7957(4) 0.056(2) Uani d . 1 . .
H H20A 0.6095 0.8013 0.8054 0.068 Uiso calc R 1 . .
H H20B 0.5674 0.7194 0.8245 0.068 Uiso calc R 1 . .
C C21 0.6300(3) 0.6427(8) 0.7976(4) 0.057(2) Uani d . 1 . .
H H21A 0.6561 0.6628 0.7743 0.068 Uiso calc R 1 . .
H H21B 0.6521 0.6333 0.8372 0.068 Uiso calc R 1 . .
C C22 0.6030(4) 0.5390(7) 0.7768(4) 0.059(2) Uani d . 1 . .
H H22A 0.5817 0.5125 0.8037 0.071 Uiso calc R 1 . .
H H22B 0.6321 0.4850 0.7754 0.071 Uiso calc R 1 . .
C C23 0.5634(4) 0.5501(7) 0.7177(4) 0.058(2) Uani d . 1 . .
H H23A 0.5851 0.5697 0.6899 0.069 Uiso calc R 1 . .
H H23B 0.5448 0.4801 0.7061 0.069 Uiso calc R 1 . .
C C24 0.5200(3) 0.6348(5) 0.7175(3) 0.0374(14) Uani d . 1 . .
H H24A 0.4994 0.6130 0.7464 0.045 Uiso calc R 1 . .
C C25 0.4719(4) 0.4442(7) 0.6074(4) 0.057(2) Uani d . 1 . .
H H25A 0.5020 0.4733 0.5942 0.068 Uiso calc R 1 . .
C C26 0.4587(4) 0.3355(8) 0.5979(4) 0.065(2) Uani d . 1 . .
H H26A 0.4807 0.2907 0.5803 0.078 Uiso calc R 1 . .
C C27 0.4141(4) 0.2941(7) 0.6140(4) 0.061(2) Uani d . 1 . .
H H27A 0.4053 0.2197 0.6086 0.074 Uiso calc R 1 . .
C C28 0.3817(4) 0.3604(8) 0.6382(4) 0.066(2) Uani d . 1 . .
H H28A 0.3492 0.3325 0.6475 0.079 Uiso calc R 1 . .
C C29 0.3963(4) 0.4690(7) 0.6492(4) 0.0551(19) Uani d . 1 . .
H H29A 0.3741 0.5140 0.6665 0.066 Uiso calc R 1 . .
C C30 0.4429(3) 0.5105(6) 0.6349(3) 0.0372(14) Uani d . 1 . .
C C31 0.3631(3) 0.7377(6) 0.6252(3) 0.0455(16) Uani d . 1 . .
H H31A 0.3640 0.7213 0.5873 0.055 Uiso calc R 1 . .
C C32 0.3156(4) 0.7850(7) 0.6361(4) 0.059(2) Uani d . 1 . .
H H32A 0.2838 0.7973 0.6058 0.071 Uiso calc R 1 . .
C C33 0.3145(4) 0.8136(8) 0.6895(4) 0.064(2) Uani d . 1 . .
H H33A 0.2820 0.8458 0.6966 0.077 Uiso calc R 1 . .
C C34 0.3611(4) 0.7957(9) 0.7339(4) 0.069(3) Uani d . 1 . .
H H34A 0.3611 0.8182 0.7712 0.083 Uiso calc R 1 . .
C C35 0.4076(4) 0.7448(7) 0.7234(3) 0.0533(19) Uani d . 1 . .
H H35A 0.4389 0.7305 0.7540 0.064 Uiso calc R 1 . .
C C36 0.4087(3) 0.7146(6) 0.6692(3) 0.0395(14) Uani d . 1 . .
C C37 0.9802(4) 0.5462(6) 0.2222(4) 0.070(2) Uani d DU 1 . .
H H37A 0.9652 0.5065 0.1864 0.084 Uiso calc R 1 B .
H H37B 1.0142 0.5083 0.2432 0.084 Uiso calc R 1 . .
C C38 0.9372(4) 0.5445(8) 0.2572(5) 0.078(2) Uani d DU 1 B .
H H38A 0.9243 0.4694 0.2595 0.093 Uiso calc R 1 . .
H H38B 0.9551 0.5685 0.2962 0.093 Uiso calc R 1 . .
C C39 0.8893(4) 0.6122(7) 0.2347(5) 0.086(2) Uani d DU 1 . .
H H39A 0.8675 0.6186 0.2637 0.103 Uiso calc R 1 B .
H H39B 0.8652 0.5754 0.2014 0.103 Uiso calc R 1 . .
C C40 0.9015(4) 0.7225(7) 0.2172(5) 0.075(2) Uani d DU 1 B .
H H40A 0.9157 0.7670 0.2514 0.090 Uiso calc R 1 . .
H H40B 0.8664 0.7559 0.1952 0.090 Uiso calc R 1 . .
C C41 0.9441(4) 0.7227(7) 0.1814(4) 0.070(2) Uani d DU 1 . .
H H41A 0.9268 0.6912 0.1438 0.083 Uiso calc R 1 B .
H H41B 0.9545 0.7981 0.1755 0.083 Uiso calc R 1 . .
C C42 0.9957(4) 0.6603(6) 0.2083(4) 0.0654(19) Uani d DU 1 B .
H H42A 1.0140 0.6967 0.2448 0.078 Uiso calc R 1 . .
C C43 1.0662(4) 0.8782(7) 0.1958(4) 0.063(2) Uani d . 1 . .
H H43A 1.0648 0.8553 0.2327 0.075 Uiso calc R 1 B .
C C44 1.0755(4) 0.9838(8) 0.1865(5) 0.074(3) Uani d . 1 B .
H H44A 1.0797 1.0349 0.2164 0.089 Uiso calc R 1 . .
C C45 1.0787(4) 1.0152(6) 0.1339(6) 0.073(3) Uani d . 1 . .
H H45A 1.0860 1.0888 0.1276 0.088 Uiso calc R 1 B .
C C46 1.0716(4) 0.9445(7) 0.0901(5) 0.075(3) Uani d . 1 B .
H H46A 1.0735 0.9689 0.0536 0.090 Uiso calc R 1 . .
C C47 1.0614(4) 0.8354(7) 0.0989(4) 0.060(2) Uani d . 1 . .
H H47A 1.0565 0.7850 0.0687 0.072 Uiso calc R 1 B .
C C48 1.0588(3) 0.8027(5) 0.1521(3) 0.0489(18) Uani d . 1 B .
C C49 1.1575(14) 0.603(5) 0.1732(14) 0.063(3) Uani d PGU 0.22(3) B 1
H H49A 1.1472 0.5995 0.1330 0.076 Uiso calc PR 0.22(3) B 1
C C50 1.2121(12) 0.581(4) 0.203(2) 0.074(4) Uani d PGU 0.22(3) B 1
H H50A 1.2391 0.5624 0.1824 0.089 Uiso calc PR 0.22(3) B 1
C C51 1.2271(11) 0.587(4) 0.261(2) 0.078(4) Uani d PGU 0.22(3) B 1
H H51A 1.2644 0.5716 0.2814 0.094 Uiso calc PR 0.22(3) B 1
C C52 1.1875(18) 0.614(4) 0.2909(15) 0.090(5) Uani d PGU 0.22(3) B 1
H H52A 1.1978 0.6179 0.3311 0.107 Uiso calc PR 0.22(3) B 1
C C53 1.1329(16) 0.636(4) 0.2616(16) 0.072(4) Uani d PGU 0.22(3) B 1
H H53A 1.1059 0.6550 0.2818 0.086 Uiso calc PR 0.22(3) B 1
C C54 1.1179(10) 0.631(5) 0.2028(16) 0.058(3) Uani d PGDU 0.22(3) B 1
C C85 1.1550(4) 0.6036(11) 0.1920(5) 0.063(3) Uani d PGU 0.78(3) B 2
H H85A 1.1503 0.6061 0.1521 0.076 Uiso calc PR 0.78(3) B 2
C C86 1.2076(3) 0.5856(10) 0.2274(6) 0.074(4) Uani d PGU 0.78(3) B 2
H H86A 1.2389 0.5757 0.2117 0.089 Uiso calc PR 0.78(3) B 2
C C87 1.2144(4) 0.5819(10) 0.2858(6) 0.078(4) Uani d PGU 0.78(3) B 2
H H87A 1.2503 0.5696 0.3100 0.094 Uiso calc PR 0.78(3) B 2
C C88 1.1686(6) 0.5964(10) 0.3088(4) 0.090(5) Uani d PGU 0.78(3) B 2
H H88A 1.1733 0.5939 0.3487 0.107 Uiso calc PR 0.78(3) B 2
C C89 1.1160(5) 0.6144(11) 0.2734(4) 0.072(4) Uani d PGU 0.78(3) B 2
H H89A 1.0848 0.6243 0.2891 0.086 Uiso calc PR 0.78(3) B 2
C C90 1.1092(4) 0.6181(11) 0.2150(4) 0.058(3) Uani d PGDU 0.78(3) B 2
C C55 0.8124(3) 0.1958(6) -0.1115(3) 0.0410(15) Uani d D 1 . .
H H55A 0.8203 0.1186 -0.1028 0.049 Uiso calc R 1 C .
H H55B 0.8470 0.2300 -0.1165 0.049 Uiso calc R 1 . .
C C56 0.7666(3) 0.2062(6) -0.1663(3) 0.055(2) Uani d D 1 C .
H H56A 0.7800 0.1749 -0.1980 0.066 Uiso calc R 1 . .
H H56B 0.7334 0.1646 -0.1626 0.066 Uiso calc R 1 . .
C C57 0.7499(3) 0.3227(6) -0.1800(3) 0.0526(19) Uani d D 1 . .
H H57A 0.7815 0.3621 -0.1888 0.063 Uiso calc R 1 C .
H H57B 0.7181 0.3253 -0.2139 0.063 Uiso calc R 1 . .
C C58 0.7333(3) 0.3771(8) -0.1309(3) 0.060(2) Uani d D 1 C .
H H58A 0.7255 0.4543 -0.1399 0.072 Uiso calc R 1 . .
H H58B 0.6988 0.3436 -0.1251 0.072 Uiso calc R 1 . .
C C59 0.7791(3) 0.3674(6) -0.0770(3) 0.052(2) Uani d D 1 . .
H H59A 0.7666 0.4012 -0.0454 0.062 Uiso calc R 1 C .
H H59B 0.8126 0.4067 -0.0816 0.062 Uiso calc R 1 . .
C C60 0.7944(3) 0.2495(6) -0.0624(3) 0.0432(16) Uani d D 1 C .
H H60A 0.7604 0.2115 -0.0568 0.052 Uiso calc R 1 . .
C C61 0.7774(9) 0.2483(14) 0.0737(10) 0.057(3) Uani d PG 0.297(12) C 1
H H61A 0.7689 0.1772 0.0597 0.069 Uiso calc PR 0.297(12) C 1
C C62 0.7485(9) 0.294(2) 0.1103(11) 0.070(4) Uani d PG 0.297(12) C 1
H H62A 0.7201 0.2534 0.1214 0.084 Uiso calc PR 0.297(12) C 1
C C63 0.7610(9) 0.398(2) 0.1307(9) 0.081(6) Uani d PG 0.297(12) C 1
H H63A 0.7412 0.4285 0.1557 0.097 Uiso calc PR 0.297(12) C 1
C C64 0.8024(9) 0.4563(17) 0.1145(9) 0.070(4) Uani d PGD 0.297(12) C 1
H H64A 0.8110 0.5274 0.1285 0.084 Uiso calc PR 0.297(12) C 1
C C65 0.8314(8) 0.4111(17) 0.0779(9) 0.055(3) Uani d PG 0.297(12) C 1
H H65A 0.8597 0.4512 0.0668 0.066 Uiso calc PR 0.297(12) C 1
C C66 0.8189(9) 0.3071(17) 0.0575(9) 0.036(2) Uani d PGD 0.297(12) C 1
C C79 0.7599(3) 0.2106(7) 0.0582(4) 0.057(3) Uani d PG 0.703(12) C 2
H H79A 0.7536 0.1440 0.0383 0.069 Uiso calc PR 0.703(12) C 2
C C80 0.7248(3) 0.2428(8) 0.0918(4) 0.070(4) Uani d PG 0.703(12) C 2
H H80A 0.6944 0.1983 0.0950 0.084 Uiso calc PR 0.703(12) C 2
C C81 0.7341(4) 0.3402(9) 0.1209(4) 0.081(6) Uani d PG 0.703(12) C 2
H H81A 0.7100 0.3622 0.1439 0.097 Uiso calc PR 0.703(12) C 2
C C82 0.7785(4) 0.4053(8) 0.1163(4) 0.070(4) Uani d PG 0.703(12) C 2
H H82A 0.7849 0.4719 0.1361 0.084 Uiso calc PR 0.703(12) C 2
C C83 0.8137(3) 0.3731(7) 0.0826(4) 0.055(3) Uani d PG 0.703(12) C 2
H H83A 0.8441 0.4176 0.0795 0.066 Uiso calc PR 0.703(12) C 2
C C84 0.8044(3) 0.2757(7) 0.0536(3) 0.036(2) Uani d PGD 0.703(12) C 2
C C67 0.9137(3) 0.0797(5) 0.0602(3) 0.0364(13) Uani d . 1 . .
H H67A 0.9389 0.1365 0.0750 0.044 Uiso calc R 1 C .
C C68 0.9272(3) -0.0280(6) 0.0768(3) 0.0462(16) Uani d . 1 C .
H H68A 0.9617 -0.0438 0.1029 0.055 Uiso calc R 1 . .
C C69 0.8908(4) -0.1097(6) 0.0555(3) 0.0516(19) Uani d . 1 . .
H H69A 0.9000 -0.1817 0.0676 0.062 Uiso calc R 1 C .
C C70 0.8409(4) -0.0888(7) 0.0167(4) 0.061(2) Uani d . 1 C .
H H70A 0.8164 -0.1459 0.0009 0.073 Uiso calc R 1 . .
C C71 0.8271(4) 0.0183(7) 0.0011(4) 0.058(2) Uani d . 1 . .
H H71A 0.7921 0.0337 -0.0243 0.070 Uiso calc R 1 C .
C C72 0.8630(3) 0.1016(5) 0.0216(3) 0.0390(14) Uani d . 1 C .
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'
Ag Ag -0.8971 1.1015 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
P1 Ag1 I2 . 2_656 122.00(5)
P1 Ag1 I1 . . 113.51(5)
I2 Ag1 I1 2_656 . 103.73(3)
P1 Ag1 I2 . . 109.75(6)
I2 Ag1 I2 2_656 . 102.17(4)
I1 Ag1 I2 . . 103.71(3)
P2 Ag2 I1 . . 124.64(5)
P2 Ag2 I2 . . 109.52(5)
I1 Ag2 I2 . . 108.35(2)
P2 Ag2 I1 . 2_656 110.27(5)
I1 Ag2 I1 . 2_656 100.68(3)
I2 Ag2 I1 . 2_656 100.50(2)
P3 Ag3 I4 . . 111.91(6)
P3 Ag3 I3 . . 118.03(7)
I4 Ag3 I3 . . 104.40(2)
P3 Ag3 I3 . 2_755 116.12(7)
I4 Ag3 I3 . 2_755 102.95(3)
I3 Ag3 I3 . 2_755 101.63(4)
P4 Ag4 I4 . . 116.69(5)
P4 Ag4 I4 . 2_755 114.43(5)
I4 Ag4 I4 . 2_755 105.99(3)
P4 Ag4 I3 . . 113.15(5)
I4 Ag4 I3 . . 102.74(2)
I4 Ag4 I3 2_755 . 102.23(2)
Ag2 I1 Ag1 . . 74.23(2)
Ag2 I1 Ag2 . 2_656 76.55(3)
Ag1 I1 Ag2 . 2_656 74.39(2)
Ag1 I2 Ag2 2_656 . 76.81(2)
Ag1 I2 Ag1 2_656 . 75.36(4)
Ag2 I2 Ag1 . . 72.05(2)
Ag3 I3 Ag4 . . 74.43(2)
Ag3 I3 Ag3 . 2_755 76.51(4)
Ag4 I3 Ag3 . 2_755 74.78(2)
Ag3 I4 Ag4 . . 74.87(2)
Ag3 I4 Ag4 . 2_755 75.78(2)
Ag4 I4 Ag4 . 2_755 72.57(3)
C18 P1 C78 . . 105.6(11)
C18 P1 C12 . . 105.4(5)
C18 P1 C6 . . 102.9(3)
C78 P1 C6 . . 97.5(11)
C12 P1 C6 . . 103.0(6)
C18 P1 Ag1 . . 114.3(2)
C78 P1 Ag1 . . 117.5(11)
C12 P1 Ag1 . . 113.0(5)
C6 P1 Ag1 . . 116.7(3)
C30 P2 C36 . . 102.5(3)
C30 P2 C24 . . 102.5(3)
C36 P2 C24 . . 103.5(3)
C30 P2 Ag2 . . 116.5(2)
C36 P2 Ag2 . . 110.7(2)
C24 P2 Ag2 . . 119.1(2)
C42 P3 C90 . . 100.8(5)
C42 P3 C48 . . 105.4(4)
C90 P3 C48 . . 102.7(5)
C42 P3 C54 . . 113.7(13)
C48 P3 C54 . . 94.5(18)
C42 P3 Ag3 . . 116.7(3)
C90 P3 Ag3 . . 115.8(4)
C48 P3 Ag3 . . 113.6(3)
C54 P3 Ag3 . . 110.6(16)
C66 P4 C72 . . 110.2(8)
C66 P4 C60 . . 105.8(8)
C72 P4 C60 . . 107.5(3)
C72 P4 C84 . . 99.9(4)
C60 P4 C84 . . 98.1(4)
C66 P4 Ag4 . . 104.5(6)
C72 P4 Ag4 . . 115.2(2)
C60 P4 Ag4 . . 113.3(2)
C84 P4 Ag4 . . 120.7(3)
C6 C1 C2 . . 110.7(7)
C6 C1 H1A . . 109.5
C2 C1 H1A . . 109.5
C6 C1 H1B . . 109.5
C2 C1 H1B . . 109.5
H1A C1 H1B . . 108.1
C1 C2 C3 . . 111.7(7)
C1 C2 H2A . . 109.3
C3 C2 H2A . . 109.3
C1 C2 H2B . . 109.3
C3 C2 H2B . . 109.3
H2A C2 H2B . . 107.9
C4 C3 C2 . . 111.3(7)
C4 C3 H3A . . 109.4
C2 C3 H3A . . 109.4
C4 C3 H3B . . 109.4
C2 C3 H3B . . 109.4
H3A C3 H3B . . 108.0
C3 C4 C5 . . 111.2(7)
C3 C4 H4A . . 109.4
C5 C4 H4A . . 109.4
C3 C4 H4B . . 109.4
C5 C4 H4B . . 109.4
H4A C4 H4B . . 108.0
C6 C5 C4 . . 110.4(7)
C6 C5 H5A . . 109.6
C4 C5 H5A . . 109.6
C6 C5 H5B . . 109.6
C4 C5 H5B . . 109.6
H5A C5 H5B . . 108.1
C1 C6 C5 . . 110.6(7)
C1 C6 P1 . . 114.0(6)
C5 C6 P1 . . 110.2(5)
C1 C6 H6A . . 107.2
C5 C6 H6A . . 107.2
P1 C6 H6A . . 107.2
C8 C7 C12 . . 120.0
C8 C7 H7A . . 120.0
C12 C7 H7A . . 120.0
C9 C8 C7 . . 120.0
C9 C8 H8A . . 120.0
C7 C8 H8A . . 120.0
C8 C9 C10 . . 120.0
C8 C9 H9A . . 120.0
C10 C9 H9A . . 120.0
C11 C10 C9 . . 120.0
C11 C10 H10A . . 120.0
C9 C10 H10A . . 120.0
C12 C11 C10 . . 120.0
C12 C11 H11A . . 120.0
C10 C11 H11A . . 120.0
C11 C12 C7 . . 120.0
C11 C12 P1 . . 119.3(9)
C7 C12 P1 . . 119.5(10)
C74 C73 C78 . . 120.0
C74 C73 H73A . . 120.0
C78 C73 H73A . . 120.0
C73 C74 C75 . . 120.0
C73 C74 H74A . . 120.0
C75 C74 H74A . . 120.0
C74 C75 C76 . . 120.0
C74 C75 H75A . . 120.0
C76 C75 H75A . . 120.0
C77 C76 C75 . . 120.0
C77 C76 H76A . . 120.0
C75 C76 H76A . . 120.0
C76 C77 C78 . . 120.0
C76 C77 H77A . . 120.0
C78 C77 H77A . . 120.0
C77 C78 C73 . . 120.0
C77 C78 P1 . . 106(2)
C73 C78 P1 . . 134(2)
C14 C13 C18 . . 121.0(8)
C14 C13 H13A . . 119.5
C18 C13 H13A . . 119.5
C15 C14 C13 . . 120.1(8)
C15 C14 H14A . . 119.9
C13 C14 H14A . . 119.9
C16 C15 C14 . . 119.5(8)
C16 C15 H15A . . 120.3
C14 C15 H15A . . 120.3
C15 C16 C17 . . 121.1(8)
C15 C16 H16A . . 119.5
C17 C16 H16A . . 119.5
C18 C17 C16 . . 119.5(8)
C18 C17 H17A . . 120.3
C16 C17 H17A . . 120.3
C13 C18 C17 . . 118.7(7)
C13 C18 P1 . . 124.7(6)
C17 C18 P1 . . 116.3(6)
C24 C19 C20 . . 111.2(6)
C24 C19 H19A . . 109.4
C20 C19 H19A . . 109.4
C24 C19 H19B . . 109.4
C20 C19 H19B . . 109.4
H19A C19 H19B . . 108.0
C21 C20 C19 . . 111.7(7)
C21 C20 H20A . . 109.3
C19 C20 H20A . . 109.3
C21 C20 H20B . . 109.3
C19 C20 H20B . . 109.3
H20A C20 H20B . . 107.9
C22 C21 C20 . . 113.1(7)
C22 C21 H21A . . 109.0
C20 C21 H21A . . 109.0
C22 C21 H21B . . 109.0
C20 C21 H21B . . 109.0
H21A C21 H21B . . 107.8
C21 C22 C23 . . 111.9(7)
C21 C22 H22A . . 109.2
C23 C22 H22A . . 109.2
C21 C22 H22B . . 109.2
C23 C22 H22B . . 109.2
H22A C22 H22B . . 107.9
C24 C23 C22 . . 110.9(7)
C24 C23 H23A . . 109.5
C22 C23 H23A . . 109.5
C24 C23 H23B . . 109.5
C22 C23 H23B . . 109.5
H23A C23 H23B . . 108.0
C23 C24 C19 . . 109.7(6)
C23 C24 P2 . . 114.2(5)
C19 C24 P2 . . 111.3(5)
C23 C24 H24A . . 107.1
C19 C24 H24A . . 107.1
P2 C24 H24A . . 107.1
C30 C25 C26 . . 122.3(8)
C30 C25 H25A . . 118.8
C26 C25 H25A . . 118.8
C27 C26 C25 . . 119.5(8)
C27 C26 H26A . . 120.3
C25 C26 H26A . . 120.3
C26 C27 C28 . . 119.7(8)
C26 C27 H27A . . 120.2
C28 C27 H27A . . 120.2
C27 C28 C29 . . 120.3(8)
C27 C28 H28A . . 119.8
C29 C28 H28A . . 119.8
C30 C29 C28 . . 120.2(8)
C30 C29 H29A . . 119.9
C28 C29 H29A . . 119.9
C25 C30 C29 . . 117.8(7)
C25 C30 P2 . . 117.9(5)
C29 C30 P2 . . 124.3(6)
C36 C31 C32 . . 120.4(7)
C36 C31 H31A . . 119.8
C32 C31 H31A . . 119.8
C33 C32 C31 . . 120.6(8)
C33 C32 H32A . . 119.7
C31 C32 H32A . . 119.7
C32 C33 C34 . . 119.8(8)
C32 C33 H33A . . 120.1
C34 C33 H33A . . 120.1
C35 C34 C33 . . 119.7(8)
C35 C34 H34A . . 120.2
C33 C34 H34A . . 120.2
C36 C35 C34 . . 120.7(8)
C36 C35 H35A . . 119.6
C34 C35 H35A . . 119.6
C35 C36 C31 . . 118.7(7)
C35 C36 P2 . . 125.0(6)
C31 C36 P2 . . 116.2(5)
C38 C37 C42 . . 112.7(7)
C38 C37 H37A . . 109.0
C42 C37 H37A . . 109.0
C38 C37 H37B . . 109.0
C42 C37 H37B . . 109.0
H37A C37 H37B . . 107.8
C39 C38 C37 . . 113.6(7)
C39 C38 H38A . . 108.8
C37 C38 H38A . . 108.9
C39 C38 H38B . . 108.9
C37 C38 H38B . . 108.9
H38A C38 H38B . . 107.7
C38 C39 C40 . . 116.1(7)
C38 C39 H39A . . 108.3
C40 C39 H39A . . 108.3
C38 C39 H39B . . 108.3
C40 C39 H39B . . 108.3
H39A C39 H39B . . 107.4
C39 C40 C41 . . 112.5(7)
C39 C40 H40A . . 109.1
C41 C40 H40A . . 109.1
C39 C40 H40B . . 109.1
C41 C40 H40B . . 109.1
H40A C40 H40B . . 107.8
C42 C41 C40 . . 112.7(7)
C42 C41 H41A . . 109.1
C40 C41 H41A . . 109.1
C42 C41 H41B . . 109.1
C40 C41 H41B . . 109.1
H41A C41 H41B . . 107.8
C41 C42 C37 . . 110.0(7)
C41 C42 P3 . . 111.4(6)
C37 C42 P3 . . 111.9(6)
C41 C42 H42A . . 107.8
C37 C42 H42A . . 107.8
P3 C42 H42A . . 107.8
C44 C43 C48 . . 121.0(10)
C44 C43 H43A . . 119.5
C48 C43 H43A . . 119.5
C43 C44 C45 . . 119.0(10)
C43 C44 H44A . . 120.5
C45 C44 H44A . . 120.5
C46 C45 C44 . . 121.9(8)
C46 C45 H45A . . 119.1
C44 C45 H45A . . 119.1
C45 C46 C47 . . 119.8(10)
C45 C46 H46A . . 120.1
C47 C46 H46A . . 120.1
C48 C47 C46 . . 118.7(9)
C48 C47 H47A . . 120.6
C46 C47 H47A . . 120.6
C47 C48 C43 . . 119.6(7)
C47 C48 P3 . . 118.8(6)
C43 C48 P3 . . 121.6(7)
C50 C49 C54 . . 120.0
C50 C49 H49A . . 120.0
C54 C49 H49A . . 120.0
C51 C50 C49 . . 120.0
C51 C50 H50A . . 120.0
C49 C50 H50A . . 120.0
C52 C51 C50 . . 120.0
C52 C51 H51A . . 120.0
C50 C51 H51A . . 120.0
C51 C52 C53 . . 120.0
C51 C52 H52A . . 120.0
C53 C52 H52A . . 120.0
C54 C53 C52 . . 120.0
C54 C53 H53A . . 120.0
C52 C53 H53A . . 120.0
C53 C54 C49 . . 120.0
C53 C54 P3 . . 120(2)
C49 C54 P3 . . 120(2)
C86 C85 C90 . . 120.0
C86 C85 H85A . . 120.0
C90 C85 H85A . . 120.0
C85 C86 C87 . . 120.0
C85 C86 H86A . . 120.0
C87 C86 H86A . . 120.0
C88 C87 C86 . . 120.0
C88 C87 H87A . . 120.0
C86 C87 H87A . . 120.0
C87 C88 C89 . . 120.0
C87 C88 H88A . . 120.0
C89 C88 H88A . . 120.0
C90 C89 C88 . . 120.0
C90 C89 H89A . . 120.0
C88 C89 H89A . . 120.0
C89 C90 C85 . . 120.0
C89 C90 P3 . . 125.0(6)
C85 C90 P3 . . 114.4(5)
C60 C55 C56 . . 110.5(5)
C60 C55 H55A . . 109.5
C56 C55 H55A . . 109.5
C60 C55 H55B . . 109.5
C56 C55 H55B . . 109.5
H55A C55 H55B . . 108.1
C57 C56 C55 . . 112.0(6)
C57 C56 H56A . . 109.2
C55 C56 H56A . . 109.2
C57 C56 H56B . . 109.2
C55 C56 H56B . . 109.2
H56A C56 H56B . . 107.9
C58 C57 C56 . . 111.4(6)
C58 C57 H57A . . 109.4
C56 C57 H57A . . 109.4
C58 C57 H57B . . 109.4
C56 C57 H57B . . 109.4
H57A C57 H57B . . 108.0
C59 C58 C57 . . 111.1(6)
C59 C58 H58A . . 109.4
C57 C58 H58A . . 109.4
C59 C58 H58B . . 109.4
C57 C58 H58B . . 109.4
H58A C58 H58B . . 108.0
C58 C59 C60 . . 111.5(7)
C58 C59 H59A . . 109.3
C60 C59 H59A . . 109.3
C58 C59 H59B . . 109.3
C60 C59 H59B . . 109.3
H59A C59 H59B . . 108.0
C55 C60 C59 . . 109.8(6)
C55 C60 P4 . . 112.5(4)
C59 C60 P4 . . 109.3(5)
C55 C60 H60A . . 108.4
C59 C60 H60A . . 108.4
P4 C60 H60A . . 108.4
C62 C61 C66 . . 120.0
C62 C61 H61A . . 120.0
C66 C61 H61A . . 120.0
C61 C62 C63 . . 120.0
C61 C62 H62A . . 120.0
C63 C62 H62A . . 120.0
C62 C63 C64 . . 120.0
C62 C63 H63A . . 120.0
C64 C63 H63A . . 120.0
C65 C64 C63 . . 120.0
C65 C64 H64A . . 120.0
C63 C64 H64A . . 120.0
C66 C65 C64 . . 120.0
C66 C65 H65A . . 120.0
C64 C65 H65A . . 120.0
C65 C66 C61 . . 120.0
C65 C66 P4 . . 124.3(11)
C61 C66 P4 . . 115.4(11)
C80 C79 C84 . . 120.0
C80 C79 H79A . . 120.0
C84 C79 H79A . . 120.0
C81 C80 C79 . . 120.0
C81 C80 H80A . . 120.0
C79 C80 H80A . . 120.0
C80 C81 C82 . . 120.0
C80 C81 H81A . . 120.0
C82 C81 H81A . . 120.0
C83 C82 C81 . . 120.0
C83 C82 H82A . . 120.0
C81 C82 H82A . . 120.0
C84 C83 C82 . . 120.0
C84 C83 H83A . . 120.0
C82 C83 H83A . . 120.0
C83 C84 C79 . . 120.0
C83 C84 P4 . . 117.8(4)
C79 C84 P4 . . 122.0(4)
C72 C67 C68 . . 119.1(6)
C72 C67 H67A . . 120.4
C68 C67 H67A . . 120.4
C69 C68 C67 . . 120.3(7)
C69 C68 H68A . . 119.8
C67 C68 H68A . . 119.8
C68 C69 C70 . . 120.8(7)
C68 C69 H69A . . 119.6
C70 C69 H69A . . 119.6
C69 C70 C71 . . 118.8(8)
C69 C70 H70A . . 120.6
C71 C70 H70A . . 120.6
C72 C71 C70 . . 121.4(8)
C72 C71 H71A . . 119.3
C70 C71 H71A . . 119.3
C71 C72 C67 . . 119.5(7)
C71 C72 P4 . . 124.9(6)
C67 C72 P4 . . 115.6(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
Ag1 P1 . 2.450(2)
Ag1 I2 2_656 2.8129(13)
Ag1 I1 . 2.9334(14)
Ag1 I2 . 2.9808(13)
Ag2 P2 . 2.4503(19)
Ag2 I1 . 2.8163(11)
Ag2 I2 . 2.9199(14)
Ag2 I1 2_656 2.9595(11)
Ag3 P3 . 2.444(2)
Ag3 I4 . 2.8700(13)
Ag3 I3 . 2.8846(12)
Ag3 I3 2_755 2.9355(12)
Ag4 P4 . 2.450(2)
Ag4 I4 . 2.9029(10)
Ag4 I4 2_755 2.9175(12)
Ag4 I3 . 2.9176(13)
I1 Ag2 2_656 2.9593(11)
I2 Ag1 2_656 2.8129(13)
I3 Ag3 2_755 2.9355(12)
I4 Ag4 2_755 2.9176(12)
P1 C18 . 1.831(7)
P1 C78 . 1.831(14)
P1 C12 . 1.858(8)
P1 C6 . 1.865(8)
P2 C30 . 1.825(7)
P2 C36 . 1.838(7)
P2 C24 . 1.839(7)
P3 C42 . 1.822(9)
P3 C90 . 1.834(6)
P3 C48 . 1.834(7)
P3 C54 . 1.850(16)
P4 C66 . 1.818(12)
P4 C72 . 1.821(7)
P4 C60 . 1.843(7)
P4 C84 . 1.854(5)
C1 C6 . 1.495(11)
C1 C2 . 1.517(11)
C1 H1A . 0.9900
C1 H1B . 0.9900
C2 C3 . 1.521(11)
C2 H2A . 0.9900
C2 H2B . 0.9900
C3 C4 . 1.496(13)
C3 H3A . 0.9900
C3 H3B . 0.9900
C4 C5 . 1.549(12)
C4 H4A . 0.9900
C4 H4B . 0.9900
C5 C6 . 1.525(10)
C5 H5A . 0.9900
C5 H5B . 0.9900
C6 H6A . 1.0000
C7 C8 . 1.3900
C7 C12 . 1.3900
C7 H7A . 0.9500
C8 C9 . 1.3900
C8 H8A . 0.9500
C9 C10 . 1.3900
C9 H9A . 0.9500
C10 C11 . 1.3900
C10 H10A . 0.9500
C11 C12 . 1.3900
C11 H11A . 0.9500
C73 C74 . 1.3900
C73 C78 . 1.3900
C73 H73A . 0.9500
C74 C75 . 1.3900
C74 H74A . 0.9500
C75 C76 . 1.3900
C75 H75A . 0.9500
C76 C77 . 1.3900
C76 H76A . 0.9500
C77 C78 . 1.3900
C77 H77A . 0.9500
C13 C14 . 1.378(12)
C13 C18 . 1.387(11)
C13 H13A . 0.9500
C14 C15 . 1.374(12)
C14 H14A . 0.9500
C15 C16 . 1.370(12)
C15 H15A . 0.9500
C16 C17 . 1.392(12)
C16 H16A . 0.9500
C17 C18 . 1.389(11)
C17 H17A . 0.9500
C19 C24 . 1.530(10)
C19 C20 . 1.540(11)
C19 H19A . 0.9900
C19 H19B . 0.9900
C20 C21 . 1.500(12)
C20 H20A . 0.9900
C20 H20B . 0.9900
C21 C22 . 1.480(13)
C21 H21A . 0.9900
C21 H21B . 0.9900
C22 C23 . 1.536(11)
C22 H22A . 0.9900
C22 H22B . 0.9900
C23 C24 . 1.500(10)
C23 H23A . 0.9900
C23 H23B . 0.9900
C24 H24A . 1.0000
C25 C30 . 1.367(11)
C25 C26 . 1.393(13)
C25 H25A . 0.9500
C26 C27 . 1.355(13)
C26 H26A . 0.9500
C27 C28 . 1.378(13)
C27 H27A . 0.9500
C28 C29 . 1.403(12)
C28 H28A . 0.9500
C29 C30 . 1.381(10)
C29 H29A . 0.9500
C31 C36 . 1.382(10)
C31 C32 . 1.392(11)
C31 H31A . 0.9500
C32 C33 . 1.353(12)
C32 H32A . 0.9500
C33 C34 . 1.391(13)
C33 H33A . 0.9500
C34 C35 . 1.387(12)
C34 H34A . 0.9500
C35 C36 . 1.379(10)
C35 H35A . 0.9500
C37 C38 . 1.515(10)
C37 C42 . 1.526(9)
C37 H37A . 0.9900
C37 H37B . 0.9900
C38 C39 . 1.445(10)
C38 H38A . 0.9900
C38 H38B . 0.9900
C39 C40 . 1.486(10)
C39 H39A . 0.9900
C39 H39B . 0.9900
C40 C41 . 1.520(10)
C40 H40A . 0.9900
C40 H40B . 0.9900
C41 C42 . 1.499(10)
C41 H41A . 0.9900
C41 H41B . 0.9900
C42 H42A . 1.0000
C43 C44 . 1.358(13)
C43 C48 . 1.396(11)
C43 H43A . 0.9500
C44 C45 . 1.359(16)
C44 H44A . 0.9500
C45 C46 . 1.358(15)
C45 H45A . 0.9500
C46 C47 . 1.403(11)
C46 H46A . 0.9500
C47 C48 . 1.371(12)
C47 H47A . 0.9500
C49 C50 . 1.3900
C49 C54 . 1.3900
C49 H49A . 0.9500
C50 C51 . 1.3705
C50 H50A . 0.9500
C51 C52 . 1.3900
C51 H51A . 0.9500
C52 C53 . 1.3900
C52 H52A . 0.9500
C53 C54 . 1.3900
C53 H53A . 0.9500
C85 C86 . 1.3900
C85 C90 . 1.3900
C85 H85A . 0.9500
C86 C87 . 1.3900
C86 H86A . 0.9500
C87 C88 . 1.3900
C87 H87A . 0.9500
C88 C89 . 1.3900
C88 H88A . 0.9500
C89 C90 . 1.3900
C89 H89A . 0.9500
C55 C60 . 1.526(8)
C55 C56 . 1.529(8)
C55 H55A . 0.9900
C55 H55B . 0.9900
C56 C57 . 1.516(9)
C56 H56A . 0.9900
C56 H56B . 0.9900
C57 C58 . 1.513(9)
C57 H57A . 0.9900
C57 H57B . 0.9900
C58 C59 . 1.512(9)
C58 H58A . 0.9900
C58 H58B . 0.9900
C59 C60 . 1.530(9)
C59 H59A . 0.9900
C59 H59B . 0.9900
C60 H60A . 1.0000
C61 C62 . 1.3900
C61 C66 . 1.3900
C61 H61A . 0.9500
C62 C63 . 1.3900
C62 H62A . 0.9500
C63 C64 . 1.3900
C63 H63A . 0.9500
C64 C65 . 1.3900
C64 H64A . 0.9500
C65 C66 . 1.3900
C65 H65A . 0.9500
C79 C80 . 1.3900
C79 C84 . 1.3900
C79 H79A . 0.9500
C80 C81 . 1.3900
C80 H80A . 0.9500
C81 C82 . 1.3900
C81 H81A . 0.9500
C82 C83 . 1.3900
C82 H82A . 0.9500
C83 C84 . 1.3900
C83 H83A . 0.9500
C67 C72 . 1.395(9)
C67 C68 . 1.412(10)
C67 H67A . 0.9500
C68 C69 . 1.370(10)
C68 H68A . 0.9500
C69 C70 . 1.382(12)
C69 H69A . 0.9500
C70 C71 . 1.400(12)
C70 H70A . 0.9500
C71 C72 . 1.375(10)
C71 H71A . 0.9500
