#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/26/7052644.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_7052644
loop_
_publ_author_name
'Mikuriya, Masahiro'
'Yoshioka, Daisuke'
'Borta, Ana'
'Luneau, Dominique'
'Matoga, Dariusz'
'Szklarzewicz, Janusz'
'Handa, Makoto'
_publ_section_title
;
 Molecule-based magnetic materials based on dinuclear ruthenium
 carboxylate and octacyanotungstate
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              1226
_journal_paper_doi               10.1039/c0nj00855a
_journal_volume                  35
_journal_year                    2011
_chemical_formula_sum            'C76 H77 N8 O8.5 P2 Ru2 W'
_chemical_formula_weight         1686.39
_chemical_name_common            (PPh4)2(Ru2(piv)4W(CN)8).0.5H2O
_chemical_name_systematic
;
(PPh4)2[Ru2(piv)4W(CN)8].0.5H2O
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 93.576(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.779(11)
_cell_length_b                   25.28(2)
_cell_length_c                   20.913(18)
_cell_measurement_temperature    293(2)
_cell_volume                     7271(10)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXL'
_computing_publication_material  'Bruker SHELXL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.908
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'psi 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  0.0238
_diffrn_reflns_av_sigmaI/netI    0.0399
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            44741
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.58
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    2.094
_exptl_absorpt_correction_T_max  0.5724
_exptl_absorpt_correction_T_min  0.3664
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.541
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3396
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.40
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.122
_refine_diff_density_min         -0.559
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     883
_refine_ls_number_reflns         16877
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0246
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0231P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0503
_refine_ls_wR_factor_ref         0.0525
_reflns_number_gt                13093
_reflns_number_total             16877
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0nj00855a.txt
_cod_data_source_block           pph4rupivwc
_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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C76 H77 N8 O8.50 P2 Ru2 W'
_cod_database_code               7052644
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
_atom_site_disorder_assembly
_atom_site_disorder_group
W1 W 0.831240(7) 0.240445(4) 0.643647(4) 0.02504(3) Uani 1 1 d . . .
Ru1 Ru 1.000382(14) 0.292209(8) 0.426393(9) 0.02667(5) Uani 1 1 d . . .
Ru2 Ru 1.071524(14) 0.276793(8) 0.332887(9) 0.02746(5) Uani 1 1 d . . .
P1 P 0.66831(5) -0.01709(3) 0.41440(3) 0.03433(16) Uani 1 1 d . . .
P2 P 1.34995(5) 0.43481(3) 0.56136(3) 0.03646(16) Uani 1 1 d . . .
O1 O 0.87214(11) 0.30072(7) 0.37701(8) 0.0367(4) Uani 1 1 d . . .
O2 O 0.93887(12) 0.28354(7) 0.28561(8) 0.0365(4) Uani 1 1 d . . .
O3 O 0.97560(12) 0.21408(7) 0.43187(8) 0.0348(4) Uani 1 1 d . . .
O4 O 1.04445(12) 0.19934(6) 0.34040(8) 0.0344(4) Uani 1 1 d . . .
O5 O 1.12812(12) 0.28025(7) 0.47508(8) 0.0344(4) Uani 1 1 d . . .
O6 O 1.19770(12) 0.26264(7) 0.38466(8) 0.0340(4) Uani 1 1 d . . .
O7 O 1.02433(12) 0.37074(6) 0.41626(8) 0.0349(4) Uani 1 1 d . . .
O8 O 1.09287(12) 0.35572(7) 0.32472(8) 0.0350(4) Uani 1 1 d . . .
N21 N 0.91992(14) 0.29671(8) 0.51727(9) 0.0326(5) Uani 1 1 d . . .
N22 N 0.8380(2) 0.12068(10) 0.70740(12) 0.0588(7) Uani 1 1 d . . .
N23 N 0.77199(19) 0.15661(10) 0.52770(12) 0.0605(7) Uani 1 1 d . . .
N24 N 0.63722(18) 0.29361(12) 0.56843(13) 0.0646(8) Uani 1 1 d . . .
N25 N 0.65637(15) 0.23673(9) 0.74482(10) 0.0368(5) Uani 1 1 d . . .
N26 N 0.84220(19) 0.36743(10) 0.68162(13) 0.0557(7) Uani 1 1 d . . .
N27 N 0.9531(2) 0.25065(10) 0.78344(12) 0.0574(7) Uani 1 1 d . . .
N28 N 1.05123(19) 0.19858(11) 0.62001(14) 0.0684(8) Uani 1 1 d . . .
C1 C 0.86537(18) 0.29089(10) 0.31740(12) 0.0343(6) Uani 1 1 d . . .
C2 C 0.76403(19) 0.28762(12) 0.28496(14) 0.0450(7) Uani 1 1 d . . .
C3 C 0.7214(3) 0.34214(15) 0.2810(2) 0.1019(16) Uani 1 1 d . . .
H3A H 0.7601 0.3641 0.2550 0.153 Uiso 1 1 calc R . .
H3B H 0.7208 0.3569 0.3232 0.153 Uiso 1 1 calc R . .
H3C H 0.6562 0.3404 0.2621 0.153 Uiso 1 1 calc R . .
C4 C 0.7037(2) 0.25283(17) 0.3261(2) 0.0991(16) Uani 1 1 d . . .
H4A H 0.6390 0.2498 0.3067 0.149 Uiso 1 1 calc R . .
H4B H 0.7013 0.2683 0.3680 0.149 Uiso 1 1 calc R . .
H4C H 0.7327 0.2183 0.3298 0.149 Uiso 1 1 calc R . .
C5 C 0.7667(3) 0.26391(16) 0.21858(17) 0.0816(12) Uani 1 1 d . . .
H5A H 0.8046 0.2861 0.1925 0.122 Uiso 1 1 calc R . .
H5B H 0.7016 0.2612 0.1995 0.122 Uiso 1 1 calc R . .
H5C H 0.7954 0.2293 0.2216 0.122 Uiso 1 1 calc R . .
C6 C 1.00034(17) 0.18326(10) 0.38847(13) 0.0342(6) Uani 1 1 d . . .
C7 C 0.9741(2) 0.12529(10) 0.39271(14) 0.0424(7) Uani 1 1 d . . .
C8 C 0.8648(2) 0.12224(13) 0.37668(16) 0.0656(10) Uani 1 1 d . . .
H8A H 0.8502 0.1355 0.3342 0.098 Uiso 1 1 calc R . .
H8B H 0.8316 0.1432 0.4068 0.098 Uiso 1 1 calc R . .
H8C H 0.8439 0.0861 0.3790 0.098 Uiso 1 1 calc R . .
C9 C 1.0262(3) 0.09331(13) 0.3446(2) 0.0985(15) Uani 1 1 d . . .
H9A H 1.0110 0.1071 0.3024 0.148 Uiso 1 1 calc R . .
H9B H 1.0057 0.0571 0.3463 0.148 Uiso 1 1 calc R . .
H9C H 1.0951 0.0954 0.3544 0.148 Uiso 1 1 calc R . .
C10 C 0.9973(3) 0.10532(13) 0.46008(16) 0.0741(11) Uani 1 1 d . . .
H10A H 0.9639 0.1266 0.4897 0.111 Uiso 1 1 calc R . .
H10B H 1.0662 0.1075 0.4701 0.111 Uiso 1 1 calc R . .
H10C H 0.9766 0.0692 0.4631 0.111 Uiso 1 1 calc R . .
C11 C 1.19760(18) 0.26223(10) 0.44505(12) 0.0327(6) Uani 1 1 d . . .
C12 C 1.28005(19) 0.23473(11) 0.48392(13) 0.0400(6) Uani 1 1 d . . .
C13 C 1.2390(2) 0.18082(12) 0.50001(17) 0.0689(10) Uani 1 1 d . . .
H13A H 1.1814 0.1854 0.5230 0.103 Uiso 1 1 calc R . .
H13B H 1.2866 0.1614 0.5260 0.103 Uiso 1 1 calc R . .
H13C H 1.2232 0.1616 0.4611 0.103 Uiso 1 1 calc R . .
C14 C 1.3688(2) 0.22810(17) 0.44574(19) 0.0928(14) Uani 1 1 d . . .
H14A H 1.3938 0.2623 0.4354 0.139 Uiso 1 1 calc R . .
H14B H 1.3513 0.2091 0.4070 0.139 Uiso 1 1 calc R . .
H14C H 1.4177 0.2087 0.4706 0.139 Uiso 1 1 calc R . .
C15 C 1.3046(3) 0.26459(13) 0.54582(16) 0.0772(12) Uani 1 1 d . . .
H15A H 1.3304 0.2987 0.5361 0.116 Uiso 1 1 calc R . .
H15B H 1.3521 0.2450 0.5717 0.116 Uiso 1 1 calc R . .
H15C H 1.2469 0.2689 0.5687 0.116 Uiso 1 1 calc R . .
C16 C 1.05991(17) 0.38669(10) 0.36531(12) 0.0337(6) Uani 1 1 d . . .
C17 C 1.0575(2) 0.44575(11) 0.35006(14) 0.0444(7) Uani 1 1 d . . .
C18 C 1.1432(2) 0.46174(13) 0.31175(19) 0.0795(12) Uani 1 1 d . . .
H18A H 1.1425 0.4412 0.2731 0.119 Uiso 1 1 calc R . .
H18B H 1.2028 0.4555 0.3368 0.119 Uiso 1 1 calc R . .
H18C H 1.1382 0.4986 0.3011 0.119 Uiso 1 1 calc R . .
C19 C 1.0545(3) 0.47855(12) 0.41117(16) 0.0687(10) Uani 1 1 d . . .
H19A H 1.0003 0.4675 0.4346 0.103 Uiso 1 1 calc R . .
H19B H 1.0475 0.5153 0.4002 0.103 Uiso 1 1 calc R . .
H19C H 1.1137 0.4734 0.4371 0.103 Uiso 1 1 calc R . .
C20 C 0.9632(2) 0.45355(13) 0.30891(15) 0.0640(9) Uani 1 1 d . . .
H20A H 0.9092 0.4423 0.3324 0.096 Uiso 1 1 calc R . .
H20B H 0.9654 0.4330 0.2704 0.096 Uiso 1 1 calc R . .
H20C H 0.9558 0.4903 0.2980 0.096 Uiso 1 1 calc R . .
C21 C 0.88623(17) 0.27837(10) 0.56067(12) 0.0298(5) Uani 1 1 d . . .
C22 C 0.8353(2) 0.16180(11) 0.68557(12) 0.0379(6) Uani 1 1 d . . .
C23 C 0.79282(19) 0.18547(11) 0.56787(13) 0.0388(6) Uani 1 1 d . . .
C24 C 0.7042(2) 0.27472(11) 0.59340(13) 0.0392(6) Uani 1 1 d . . .
C25 C 0.71565(18) 0.23926(10) 0.70984(12) 0.0310(5) Uani 1 1 d . . .
C26 C 0.83818(18) 0.32338(11) 0.66847(12) 0.0369(6) Uani 1 1 d . . .
C27 C 0.91067(19) 0.24725(10) 0.73512(13) 0.0367(6) Uani 1 1 d . . .
C28 C 0.9752(2) 0.21263(12) 0.62851(13) 0.0438(7) Uani 1 1 d . . .
C31 C 0.58231(18) -0.06901(10) 0.40055(13) 0.0369(6) Uani 1 1 d . . .
C32 C 0.6042(2) -0.11347(11) 0.36694(14) 0.0457(7) Uani 1 1 d . . .
H32A H 0.6659 -0.1177 0.3520 0.055 Uiso 1 1 calc R . .
C33 C 0.5345(2) -0.15199(12) 0.35536(16) 0.0603(9) Uani 1 1 d . . .
H33A H 0.5493 -0.1822 0.3325 0.072 Uiso 1 1 calc R . .
C34 C 0.4440(2) -0.14605(13) 0.37723(17) 0.0658(10) Uani 1 1 d . . .
H34A H 0.3971 -0.1721 0.3694 0.079 Uiso 1 1 calc R . .
C35 C 0.4227(2) -0.10191(14) 0.41045(18) 0.0750(11) Uani 1 1 d . . .
H35A H 0.3610 -0.0978 0.4253 0.090 Uiso 1 1 calc R . .
C36 C 0.4911(2) -0.06354(12) 0.42224(17) 0.0624(9) Uani 1 1 d . . .
H36A H 0.4757 -0.0335 0.4452 0.075 Uiso 1 1 calc R . .
C37 C 0.60931(18) 0.04308(10) 0.38998(13) 0.0365(6) Uani 1 1 d . . .
C38 C 0.5456(2) 0.04242(12) 0.33611(14) 0.0512(8) Uani 1 1 d . . .
H38A H 0.5321 0.0108 0.3145 0.061 Uiso 1 1 calc R . .
C39 C 0.5022(2) 0.08862(15) 0.31472(17) 0.0655(10) Uani 1 1 d . . .
H39A H 0.4596 0.0881 0.2784 0.079 Uiso 1 1 calc R . .
C40 C 0.5206(3) 0.13462(15) 0.3457(2) 0.0737(11) Uani 1 1 d . . .
H40A H 0.4910 0.1656 0.3305 0.088 Uiso 1 1 calc R . .
C41 C 0.5824(2) 0.13585(13) 0.39936(19) 0.0678(10) Uani 1 1 d . . .
H41A H 0.5943 0.1676 0.4209 0.081 Uiso 1 1 calc R . .
C42 C 0.6272(2) 0.09022(11) 0.42161(15) 0.0493(8) Uani 1 1 d . . .
H42A H 0.6695 0.0912 0.4580 0.059 Uiso 1 1 calc R . .
C43 C 0.71021(19) -0.01450(10) 0.49716(13) 0.0385(6) Uani 1 1 d . . .
C44 C 0.7813(2) 0.02234(12) 0.51570(15) 0.0556(8) Uani 1 1 d . . .
H44A H 0.8089 0.0432 0.4850 0.067 Uiso 1 1 calc R . .
C45 C 0.8107(3) 0.02795(15) 0.57915(17) 0.0715(11) Uani 1 1 d . . .
H45A H 0.8567 0.0535 0.5917 0.086 Uiso 1 1 calc R . .
C46 C 0.7730(3) -0.00365(18) 0.62348(17) 0.0795(12) Uani 1 1 d . . .
H46A H 0.7931 0.0004 0.6665 0.095 Uiso 1 1 calc R . .
C47 C 0.7059(3) -0.04126(16) 0.60592(16) 0.0726(11) Uani 1 1 d . . .
H47A H 0.6822 -0.0634 0.6368 0.087 Uiso 1 1 calc R . .
C48 C 0.6727(2) -0.04681(12) 0.54237(15) 0.0517(8) Uani 1 1 d . . .
H48A H 0.6258 -0.0720 0.5305 0.062 Uiso 1 1 calc R . .
C49 C 0.77065(18) -0.02851(10) 0.36806(13) 0.0348(6) Uani 1 1 d . . .
C50 C 0.7752(2) -0.00836(12) 0.30734(14) 0.0483(7) Uani 1 1 d . . .
H50A H 0.7256 0.0132 0.2901 0.058 Uiso 1 1 calc R . .
C51 C 0.8528(2) -0.02017(14) 0.27252(16) 0.0631(9) Uani 1 1 d . . .
H51A H 0.8561 -0.0061 0.2316 0.076 Uiso 1 1 calc R . .
C52 C 0.9260(2) -0.05242(13) 0.29692(18) 0.0618(9) Uani 1 1 d . . .
H52A H 0.9784 -0.0603 0.2726 0.074 Uiso 1 1 calc R . .
C53 C 0.9216(2) -0.07269(12) 0.35637(18) 0.0605(9) Uani 1 1 d . . .
H53A H 0.9711 -0.0946 0.3730 0.073 Uiso 1 1 calc R . .
C54 C 0.8448(2) -0.06116(12) 0.39241(15) 0.0527(8) Uani 1 1 d . . .
H54A H 0.8423 -0.0753 0.4333 0.063 Uiso 1 1 calc R . .
C61 C 1.25557(19) 0.40342(10) 0.60277(13) 0.0386(6) Uani 1 1 d . . .
C62 C 1.2644(2) 0.39654(13) 0.66803(15) 0.0572(9) Uani 1 1 d . . .
H62A H 1.3226 0.4051 0.6906 0.069 Uiso 1 1 calc R . .
C63 C 1.1886(2) 0.37718(14) 0.70021(17) 0.0706(10) Uani 1 1 d . . .
H63A H 1.1948 0.3738 0.7446 0.085 Uiso 1 1 calc R . .
C64 C 1.1048(3) 0.36302(14) 0.66776(19) 0.0712(10) Uani 1 1 d . . .
H64A H 1.0547 0.3480 0.6894 0.085 Uiso 1 1 calc R . .
C65 C 1.0938(3) 0.37069(18) 0.6035(2) 0.0940(15) Uani 1 1 d . . .
H65A H 1.0351 0.3624 0.5815 0.113 Uiso 1 1 calc R . .
C66 C 1.1692(2) 0.39072(16) 0.57092(17) 0.0786(12) Uani 1 1 d . . .
H66A H 1.1614 0.3956 0.5268 0.094 Uiso 1 1 calc R . .
C67 C 1.30547(18) 0.49855(11) 0.53784(13) 0.0380(6) Uani 1 1 d . . .
C68 C 1.2503(2) 0.52724(12) 0.57848(15) 0.0582(9) Uani 1 1 d . . .
H68A H 1.2365 0.5133 0.6181 0.070 Uiso 1 1 calc R . .
C69 C 1.2157(2) 0.57655(13) 0.56039(18) 0.0717(11) Uani 1 1 d . . .
H69A H 1.1798 0.5961 0.5883 0.086 Uiso 1 1 calc R . .
C70 C 1.2336(2) 0.59688(13) 0.50217(18) 0.0641(10) Uani 1 1 d . . .
H70A H 1.2093 0.6299 0.4900 0.077 Uiso 1 1 calc R . .
C71 C 1.2871(2) 0.56867(13) 0.46184(17) 0.0633(9) Uani 1 1 d . . .
H71A H 1.2995 0.5825 0.4220 0.076 Uiso 1 1 calc R . .
C72 C 1.3231(2) 0.51998(12) 0.47938(15) 0.0516(8) Uani 1 1 d . . .
H72A H 1.3599 0.5012 0.4513 0.062 Uiso 1 1 calc R . .
C73 C 1.45509(19) 0.43952(12) 0.61596(13) 0.0416(7) Uani 1 1 d . . .
C74 C 1.4989(2) 0.39338(13) 0.63873(14) 0.0535(8) Uani 1 1 d . . .
H74A H 1.4728 0.3608 0.6263 0.064 Uiso 1 1 calc R . .
C75 C 1.5809(2) 0.39545(16) 0.67964(16) 0.0646(10) Uani 1 1 d . . .
H75A H 1.6104 0.3645 0.6950 0.078 Uiso 1 1 calc R . .
C76 C 1.6185(2) 0.44348(18) 0.69738(16) 0.0692(10) Uani 1 1 d . . .
H76A H 1.6746 0.4448 0.7245 0.083 Uiso 1 1 calc R . .
C77 C 1.5763(2) 0.48943(15) 0.67659(15) 0.0630(10) Uani 1 1 d . . .
H77A H 1.6023 0.5217 0.6904 0.076 Uiso 1 1 calc R . .
C78 C 1.4937(2) 0.48794(12) 0.63451(13) 0.0459(7) Uani 1 1 d . . .
H78A H 1.4651 0.5191 0.6192 0.055 Uiso 1 1 calc R . .
C79 C 1.38300(19) 0.40099(10) 0.49048(13) 0.0386(6) Uani 1 1 d . . .
C80 C 1.3147(2) 0.39332(12) 0.43914(14) 0.0487(7) Uani 1 1 d . . .
H80A H 1.2504 0.4033 0.4430 0.058 Uiso 1 1 calc R . .
C81 C 1.3414(2) 0.37131(12) 0.38335(15) 0.0555(8) Uani 1 1 d . . .
H81A H 1.2950 0.3661 0.3497 0.067 Uiso 1 1 calc R . .
C82 C 1.4353(3) 0.35693(13) 0.37653(16) 0.0627(9) Uani 1 1 d . . .
H82A H 1.4540 0.3430 0.3380 0.075 Uiso 1 1 calc R . .
C83 C 1.5020(2) 0.36342(14) 0.42735(17) 0.0682(10) Uani 1 1 d . . .
H83A H 1.5658 0.3525 0.4234 0.082 Uiso 1 1 calc R . .
C84 C 1.4770(2) 0.38558(12) 0.48391(15) 0.0542(8) Uani 1 1 d . . .
H84A H 1.5237 0.3901 0.5176 0.065 Uiso 1 1 calc R . .
O9 O 0.7454(3) -0.1471(2) 0.6906(2) 0.0839(16) Uani 0.50 1 d P . .
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 '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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
W W -0.8490 6.8722 '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
_geom_angle_publ_flag
C28 W1 C23 82.35(11) . . ?
C28 W1 C27 74.55(11) . . ?
C23 W1 C27 142.74(10) . . ?
C28 W1 C26 109.02(11) . . ?
C23 W1 C26 144.09(10) . . ?
C27 W1 C26 72.32(9) . . ?
C28 W1 C21 69.72(10) . . ?
C23 W1 C21 77.13(11) . . ?
C27 W1 C21 119.63(11) . . ?
C26 W1 C21 75.52(10) . . ?
C28 W1 C24 141.82(11) . . ?
C23 W1 C24 75.31(11) . . ?
C27 W1 C24 138.65(10) . . ?
C26 W1 C24 75.57(10) . . ?
C21 W1 C24 75.30(10) . . ?
C28 W1 C22 76.06(11) . . ?
C23 W1 C22 72.82(11) . . ?
C27 W1 C22 73.46(10) . . ?
C26 W1 C22 142.33(11) . . ?
C21 W1 C22 136.79(9) . . ?
C24 W1 C22 124.16(10) . . ?
C28 W1 C25 144.06(10) . . ?
C23 W1 C25 107.70(10) . . ?
C27 W1 C25 77.71(11) . . ?
C26 W1 C25 83.31(9) . . ?
C21 W1 C25 145.57(9) . . ?
C24 W1 C25 73.28(11) . . ?
C22 W1 C25 74.44(10) . . ?
O5 Ru1 O1 177.46(7) . . ?
O5 Ru1 O3 88.26(7) . . ?
O1 Ru1 O3 89.28(7) . . ?
O5 Ru1 O7 93.29(7) . . ?
O1 Ru1 O7 89.14(7) . . ?
O3 Ru1 O7 177.26(7) . . ?
O5 Ru1 N21 92.39(9) . . ?
O1 Ru1 N21 87.99(9) . . ?
O3 Ru1 N21 84.70(7) . . ?
O7 Ru1 N21 97.48(7) . . ?
O5 Ru1 Ru2 89.95(7) . . ?
O1 Ru1 Ru2 89.35(7) . . ?
O3 Ru1 Ru2 87.96(5) . . ?
O7 Ru1 Ru2 89.79(5) . . ?
N21 Ru1 Ru2 172.23(5) . . ?
O4 Ru2 O6 86.74(7) . . ?
O4 Ru2 O8 177.61(7) . . ?
O6 Ru2 O8 95.45(7) . . ?
O4 Ru2 O2 87.35(7) . . ?
O6 Ru2 O2 173.49(7) . . ?
O8 Ru2 O2 90.42(7) . . ?
O4 Ru2 N25 91.39(7) . 4_665 ?
O6 Ru2 N25 86.48(9) . 4_665 ?
O8 Ru2 N25 89.72(7) . 4_665 ?
O2 Ru2 N25 96.39(9) . 4_665 ?
O4 Ru2 Ru1 90.44(5) . . ?
O6 Ru2 Ru1 88.41(7) . . ?
O8 Ru2 Ru1 88.64(5) . . ?
O2 Ru2 Ru1 88.92(7) . . ?
N25 Ru2 Ru1 174.46(5) 4_665 . ?
C31 P1 C49 109.45(13) . . ?
C31 P1 C37 107.17(14) . . ?
C49 P1 C37 110.12(13) . . ?
C31 P1 C43 110.82(13) . . ?
C49 P1 C43 108.23(14) . . ?
C37 P1 C43 111.05(13) . . ?
C67 P2 C73 111.49(13) . . ?
C67 P2 C61 106.64(13) . . ?
C73 P2 C61 107.67(14) . . ?
C67 P2 C79 107.67(13) . . ?
C73 P2 C79 108.75(14) . . ?
C61 P2 C79 114.67(13) . . ?
C1 O1 Ru1 119.62(16) . . ?
C1 O2 Ru2 118.98(17) . . ?
C6 O3 Ru1 120.84(17) . . ?
C6 O4 Ru2 118.34(16) . . ?
C11 O5 Ru1 118.15(17) . . ?
C11 O6 Ru2 118.84(16) . . ?
C16 O7 Ru1 118.30(16) . . ?
C16 O8 Ru2 119.67(17) . . ?
C21 N21 Ru1 153.0(2) . . ?
C25 N25 Ru2 164.3(2) . 4_566 ?
O2 C1 O1 122.4(2) . . ?
O2 C1 C2 120.3(2) . . ?
O1 C1 C2 117.4(2) . . ?
C3 C2 C5 110.2(3) . . ?
C3 C2 C4 109.8(3) . . ?
C5 C2 C4 109.7(3) . . ?
C3 C2 C1 108.7(3) . . ?
C5 C2 C1 111.0(2) . . ?
C4 C2 C1 107.4(2) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
O3 C6 O4 122.4(2) . . ?
O3 C6 C7 118.7(2) . . ?
O4 C6 C7 118.9(2) . . ?
C9 C7 C10 111.2(3) . . ?
C9 C7 C6 110.8(2) . . ?
C10 C7 C6 109.9(2) . . ?
C9 C7 C8 109.3(3) . . ?
C10 C7 C8 109.7(3) . . ?
C6 C7 C8 105.8(2) . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C7 C10 H10A 109.5 . . ?
C7 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C7 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
O5 C11 O6 122.9(2) . . ?
O5 C11 C12 117.6(2) . . ?
O6 C11 C12 119.3(2) . . ?
C14 C12 C15 111.2(3) . . ?
C14 C12 C13 110.0(3) . . ?
C15 C12 C13 108.8(3) . . ?
C14 C12 C11 111.7(2) . . ?
C15 C12 C11 110.3(2) . . ?
C13 C12 C11 104.6(2) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
O8 C16 O7 122.9(2) . . ?
O8 C16 C17 118.1(2) . . ?
O7 C16 C17 118.9(2) . . ?
C18 C17 C20 109.2(3) . . ?
C18 C17 C19 111.1(3) . . ?
C20 C17 C19 109.6(3) . . ?
C18 C17 C16 111.3(2) . . ?
C20 C17 C16 104.5(2) . . ?
C19 C17 C16 111.0(2) . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C17 C19 H19A 109.5 . . ?
C17 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C17 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C17 C20 H20A 109.5 . . ?
C17 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C17 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
N21 C21 W1 176.1(2) . . ?
N22 C22 W1 179.5(3) . . ?
N23 C23 W1 179.5(3) . . ?
N24 C24 W1 178.1(3) . . ?
N25 C25 W1 177.4(2) . . ?
N26 C26 W1 179.8(3) . . ?
N27 C27 W1 179.6(3) . . ?
N28 C28 W1 179.0(3) . . ?
C36 C31 C32 119.3(3) . . ?
C36 C31 P1 119.1(2) . . ?
C32 C31 P1 121.5(2) . . ?
C31 C32 C33 119.8(3) . . ?
C31 C32 H32A 120.1 . . ?
C33 C32 H32A 120.1 . . ?
C34 C33 C32 120.3(3) . . ?
C34 C33 H33A 119.8 . . ?
C32 C33 H33A 119.8 . . ?
C35 C34 C33 119.6(3) . . ?
C35 C34 H34A 120.2 . . ?
C33 C34 H34A 120.2 . . ?
C34 C35 C36 120.6(3) . . ?
C34 C35 H35A 119.7 . . ?
C36 C35 H35A 119.7 . . ?
C35 C36 C31 120.4(3) . . ?
C35 C36 H36A 119.8 . . ?
C31 C36 H36A 119.8 . . ?
C42 C37 C38 119.1(3) . . ?
C42 C37 P1 122.4(2) . . ?
C38 C37 P1 118.5(2) . . ?
C39 C38 C37 119.7(3) . . ?
C39 C38 H38A 120.2 . . ?
C37 C38 H38A 120.2 . . ?
C40 C39 C38 120.8(3) . . ?
C40 C39 H39A 119.6 . . ?
C38 C39 H39A 119.6 . . ?
C39 C40 C41 120.2(3) . . ?
C39 C40 H40A 119.9 . . ?
C41 C40 H40A 119.9 . . ?
C40 C41 C42 120.1(3) . . ?
C40 C41 H41A 119.9 . . ?
C42 C41 H41A 119.9 . . ?
C41 C42 C37 120.0(3) . . ?
C41 C42 H42A 120.0 . . ?
C37 C42 H42A 120.0 . . ?
C48 C43 C44 119.7(3) . . ?
C48 C43 P1 122.1(2) . . ?
C44 C43 P1 118.2(2) . . ?
C45 C44 C43 120.1(3) . . ?
C45 C44 H44A 120.0 . . ?
C43 C44 H44A 120.0 . . ?
C46 C45 C44 119.9(4) . . ?
C46 C45 H45A 120.0 . . ?
C44 C45 H45A 120.0 . . ?
C45 C46 C47 120.8(3) . . ?
C45 C46 H46A 119.6 . . ?
C47 C46 H46A 119.6 . . ?
C46 C47 C48 120.5(3) . . ?
C46 C47 H47A 119.7 . . ?
C48 C47 H47A 119.7 . . ?
C43 C48 C47 118.9(3) . . ?
C43 C48 H48A 120.5 . . ?
C47 C48 H48A 120.5 . . ?
C50 C49 C54 119.1(3) . . ?
C50 C49 P1 121.7(2) . . ?
C54 C49 P1 119.1(2) . . ?
C51 C50 C49 119.6(3) . . ?
C51 C50 H50A 120.2 . . ?
C49 C50 H50A 120.2 . . ?
C50 C51 C52 121.0(3) . . ?
C50 C51 H51A 119.5 . . ?
C52 C51 H51A 119.5 . . ?
C53 C52 C51 119.7(3) . . ?
C53 C52 H52A 120.2 . . ?
C51 C52 H52A 120.2 . . ?
C52 C53 C54 120.5(3) . . ?
C52 C53 H53A 119.8 . . ?
C54 C53 H53A 119.8 . . ?
C53 C54 C49 120.1(3) . . ?
C53 C54 H54A 119.9 . . ?
C49 C54 H54A 119.9 . . ?
C66 C61 C62 118.4(3) . . ?
C66 C61 P2 120.3(2) . . ?
C62 C61 P2 120.9(2) . . ?
C63 C62 C61 120.7(3) . . ?
C63 C62 H62A 119.6 . . ?
C61 C62 H62A 119.6 . . ?
C64 C63 C62 120.2(3) . . ?
C64 C63 H63A 119.9 . . ?
C62 C63 H63A 119.9 . . ?
C63 C64 C65 119.9(3) . . ?
C63 C64 H64A 120.0 . . ?
C65 C64 H64A 120.0 . . ?
C64 C65 C66 120.2(3) . . ?
C64 C65 H65A 119.9 . . ?
C66 C65 H65A 119.9 . . ?
C61 C66 C65 120.5(3) . . ?
C61 C66 H66A 119.8 . . ?
C65 C66 H66A 119.8 . . ?
C72 C67 C68 118.4(3) . . ?
C72 C67 P2 121.7(2) . . ?
C68 C67 P2 119.9(2) . . ?
C69 C68 C67 120.0(3) . . ?
C69 C68 H68A 120.0 . . ?
C67 C68 H68A 120.0 . . ?
C70 C69 C68 120.6(3) . . ?
C70 C69 H69A 119.7 . . ?
C68 C69 H69A 119.7 . . ?
C71 C70 C69 119.6(3) . . ?
C71 C70 H70A 120.2 . . ?
C69 C70 H70A 120.2 . . ?
C70 C71 C72 120.5(3) . . ?
C70 C71 H71A 119.7 . . ?
C72 C71 H71A 119.7 . . ?
C71 C72 C67 120.9(3) . . ?
C71 C72 H72A 119.6 . . ?
C67 C72 H72A 119.6 . . ?
C78 C73 C74 119.9(3) . . ?
C78 C73 P2 121.3(2) . . ?
C74 C73 P2 118.8(2) . . ?
C75 C74 C73 120.4(3) . . ?
C75 C74 H74A 119.8 . . ?
C73 C74 H74A 119.8 . . ?
C76 C75 C74 119.1(3) . . ?
C76 C75 H75A 120.4 . . ?
C74 C75 H75A 120.4 . . ?
C77 C76 C75 121.8(3) . . ?
C77 C76 H76A 119.1 . . ?
C75 C76 H76A 119.1 . . ?
C76 C77 C78 119.7(3) . . ?
C76 C77 H77A 120.2 . . ?
C78 C77 H77A 120.2 . . ?
C73 C78 C77 119.1(3) . . ?
C73 C78 H78A 120.5 . . ?
C77 C78 H78A 120.5 . . ?
C84 C79 C80 118.7(3) . . ?
C84 C79 P2 120.6(2) . . ?
C80 C79 P2 120.5(2) . . ?
C81 C80 C79 120.7(3) . . ?
C81 C80 H80A 119.7 . . ?
C79 C80 H80A 119.7 . . ?
C82 C81 C80 120.5(3) . . ?
C82 C81 H81A 119.8 . . ?
C80 C81 H81A 119.8 . . ?
C81 C82 C83 118.8(3) . . ?
C81 C82 H82A 120.6 . . ?
C83 C82 H82A 120.6 . . ?
C82 C83 C84 121.7(3) . . ?
C82 C83 H83A 119.1 . . ?
C84 C83 H83A 119.1 . . ?
C79 C84 C83 119.5(3) . . ?
C79 C84 H84A 120.2 . . ?
C83 C84 H84A 120.2 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
W1 C28 2.147(3) . ?
W1 C23 2.149(3) . ?
W1 C27 2.151(3) . ?
W1 C26 2.161(3) . ?
W1 C21 2.161(3) . ?
W1 C24 2.166(3) . ?
W1 C22 2.172(3) . ?
W1 C25 2.175(3) . ?
Ru1 O5 2.001(2) . ?
Ru1 O1 2.002(2) . ?
Ru1 O3 2.009(2) . ?
Ru1 O7 2.026(2) . ?
Ru1 N21 2.262(2) . ?
Ru1 Ru2 2.2751(15) . ?
Ru2 O4 2.001(2) . ?
Ru2 O6 2.022(2) . ?
Ru2 O8 2.026(2) . ?
Ru2 O2 2.030(2) . ?
Ru2 N25 2.268(3) 4_665 ?
P1 C31 1.780(3) . ?
P1 C49 1.784(3) . ?
P1 C37 1.784(3) . ?
P1 C43 1.791(3) . ?
P2 C67 1.782(3) . ?
P2 C73 1.792(3) . ?
P2 C61 1.792(3) . ?
P2 C79 1.794(3) . ?
O1 C1 1.269(3) . ?
O2 C1 1.259(3) . ?
O3 C6 1.259(3) . ?
O4 C6 1.273(3) . ?
O5 C11 1.262(3) . ?
O6 C11 1.263(3) . ?
O7 C16 1.266(3) . ?
O8 C16 1.260(3) . ?
N21 C21 1.143(3) . ?
N22 C22 1.135(3) . ?
N23 C23 1.136(3) . ?
N24 C24 1.137(3) . ?
N25 C25 1.132(3) . ?
N25 Ru2 2.268(3) 4_566 ?
N26 C26 1.147(3) . ?
N27 C27 1.139(3) . ?
N28 C28 1.131(3) . ?
C1 C2 1.516(4) . ?
C2 C3 1.498(4) . ?
C2 C5 1.515(4) . ?
C2 C4 1.515(4) . ?
C3 H3A 0.9600 . ?
C3 H3B 0.9600 . ?
C3 H3C 0.9600 . ?
C4 H4A 0.9600 . ?
C4 H4B 0.9600 . ?
C4 H4C 0.9600 . ?
C5 H5A 0.9600 . ?
C5 H5B 0.9600 . ?
C5 H5C 0.9600 . ?
C6 C7 1.513(4) . ?
C7 C9 1.507(4) . ?
C7 C10 1.512(4) . ?
C7 C8 1.525(4) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 H10A 0.9600 . ?
C10 H10B 0.9600 . ?
C10 H10C 0.9600 . ?
C11 C12 1.523(4) . ?
C12 C14 1.511(4) . ?
C12 C15 1.518(4) . ?
C12 C13 1.521(4) . ?
C13 H13A 0.9600 . ?
C13 H13B 0.9600 . ?
C13 H13C 0.9600 . ?
C14 H14A 0.9600 . ?
C14 H14B 0.9600 . ?
C14 H14C 0.9600 . ?
C15 H15A 0.9600 . ?
C15 H15B 0.9600 . ?
C15 H15C 0.9600 . ?
C16 C17 1.527(4) . ?
C17 C18 1.521(4) . ?
C17 C20 1.526(4) . ?
C17 C19 1.526(4) . ?
C18 H18A 0.9600 . ?
C18 H18B 0.9600 . ?
C18 H18C 0.9600 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C20 H20A 0.9600 . ?
C20 H20B 0.9600 . ?
C20 H20C 0.9600 . ?
C31 C36 1.369(4) . ?
C31 C32 1.369(4) . ?
C32 C33 1.378(4) . ?
C32 H32A 0.9300 . ?
C33 C34 1.363(4) . ?
C33 H33A 0.9300 . ?
C34 C35 1.356(4) . ?
C34 H34A 0.9300 . ?
C35 C36 1.364(4) . ?
C35 H35A 0.9300 . ?
C36 H36A 0.9300 . ?
C37 C42 1.378(4) . ?
C37 C38 1.385(4) . ?
C38 C39 1.374(4) . ?
C38 H38A 0.9300 . ?
C39 C40 1.347(5) . ?
C39 H39A 0.9300 . ?
C40 C41 1.367(5) . ?
C40 H40A 0.9300 . ?
C41 C42 1.375(4) . ?
C41 H41A 0.9300 . ?
C42 H42A 0.9300 . ?
C43 C48 1.374(4) . ?
C43 C44 1.389(4) . ?
C44 C45 1.371(4) . ?
C44 H44A 0.9300 . ?
C45 C46 1.352(5) . ?
C45 H45A 0.9300 . ?
C46 C47 1.360(5) . ?
C46 H46A 0.9300 . ?
C47 C48 1.386(4) . ?
C47 H47A 0.9300 . ?
C48 H48A 0.9300 . ?
C49 C50 1.373(4) . ?
C49 C54 1.385(4) . ?
C50 C51 1.364(4) . ?
C50 H50A 0.9300 . ?
C51 C52 1.370(4) . ?
C51 H51A 0.9300 . ?
C52 C53 1.349(5) . ?
C52 H52A 0.9300 . ?
C53 C54 1.368(4) . ?
C53 H53A 0.9300 . ?
C54 H54A 0.9300 . ?
C61 C66 1.365(4) . ?
C61 C62 1.374(4) . ?
C62 C63 1.368(4) . ?
C62 H62A 0.9300 . ?
C63 C64 1.350(4) . ?
C63 H63A 0.9300 . ?
C64 C65 1.357(5) . ?
C64 H64A 0.9300 . ?
C65 C66 1.374(5) . ?
C65 H65A 0.9300 . ?
C66 H66A 0.9300 . ?
C67 C72 1.373(4) . ?
C67 C68 1.381(4) . ?
C68 C69 1.379(4) . ?
C68 H68A 0.9300 . ?
C69 C70 1.358(5) . ?
C69 H69A 0.9300 . ?
C70 C71 1.357(4) . ?
C70 H70A 0.9300 . ?
C71 C72 1.368(4) . ?
C71 H71A 0.9300 . ?
C72 H72A 0.9300 . ?
C73 C78 1.381(4) . ?
C73 C74 1.384(4) . ?
C74 C75 1.375(4) . ?
C74 H74A 0.9300 . ?
C75 C76 1.362(5) . ?
C75 H75A 0.9300 . ?
C76 C77 1.359(5) . ?
C76 H76A 0.9300 . ?
C77 C78 1.395(4) . ?
C77 H77A 0.9300 . ?
C78 H78A 0.9300 . ?
C79 C84 1.368(4) . ?
C79 C80 1.396(4) . ?
C80 C81 1.363(4) . ?
C80 H80A 0.9300 . ?
C81 C82 1.361(4) . ?
C81 H81A 0.9300 . ?
C82 C83 1.370(4) . ?
C82 H82A 0.9300 . ?
C83 C84 1.372(4) . ?
C83 H83A 0.9300 . ?
C84 H84A 0.9300 . ?
