#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:39:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179340 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/37/4323751.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_4323751
loop_
_publ_author_name
'Rainer F. Winter'
'Fridmann M. Hornung'
_publ_contact_author
;
     Dr. Rainer Winter
     Department of Inorganic Chemistry
     University of Stuttgart
     Pfaffenwaldring 55
     D-70550 Stuttgart
     Germany
;
_publ_contact_author_email       winter@anorg55.chemie.uni-stuttgart.de
_publ_contact_author_phone       '049 711 685-4193'
_publ_section_title
;
 The Square Pyramidal Hydride Cation [RuH(dcpe)2]+, dcpe =
 Bis(dicyclohexylphosphino)ethane. Structures of [RuH(dcpe)2]+[BPh4]-and
 of the Zwitterionic {(η6-C6H5)BPh3}RuH(dcpe)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6197
_journal_page_last               6204
_journal_paper_doi               10.1021/ic970583m
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C79 H123 B Cl6 P4 Ru'
_chemical_formula_weight         1521.23
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           13
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yc'
_symmetry_space_group_name_H-M   'P 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 102.86(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   24.936(5)
_cell_length_b                   12.633(3)
_cell_length_c                   25.801(5)
_cell_measurement_temperature    298(2)
_cell_volume                     7924(3)
_computing_cell_refinement       'Siemens Diffractometer Software'
_computing_data_collection       'Siemens Diffractometer Software'
_computing_data_reduction        'SHELXTL-Plus X-Disk'
_computing_molecular_graphics    'SHELXTL-Plus XP'
_computing_publication_material  SHELXL-93
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      183(2)
_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  0.0448
_diffrn_reflns_av_sigmaI/netI    0.0690
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            11332
_diffrn_reflns_theta_max         23.00
_diffrn_reflns_theta_min         1.61
_exptl_absorpt_coefficient_mu    0.522
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.275
_exptl_crystal_description       block
_exptl_crystal_F_000             3232
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.923
_refine_diff_density_min         -0.982
_refine_diff_density_rms         0.076
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.043
_refine_ls_goodness_of_fit_obs   1.130
_refine_ls_hydrogen_treatment    'introduced, riding on the corresp. c-atom'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1057
_refine_ls_number_reflns         10467
_refine_ls_number_restraints     152
_refine_ls_restrained_S_all      1.112
_refine_ls_restrained_S_obs      1.127
_refine_ls_R_factor_all          0.0981
_refine_ls_R_factor_obs          0.0620
_refine_ls_shift/esd_max         0.006
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0628P)²+18.3119P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1694
_refine_ls_wR_factor_obs         0.1420
_reflns_number_observed          7751
_reflns_number_total             11040
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic970583m_1.cif
_cod_data_source_block           runeu3
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0628P)^2^+18.3119P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0628P)^2^+18.3119P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        7923.9(29)
_cod_database_code               4323751
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, 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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ru1 Ru 0.0000 0.13347(5) 0.2500 0.0246(2) Uani 1 d S .
P11 P 0.05944(6) 0.25518(12) 0.30316(7) 0.0368(4) Uani 1 d . .
P12 P 0.06357(6) 0.01032(11) 0.29603(6) 0.0310(4) Uani 1 d . .
C11 C 0.1223(3) 0.1879(5) 0.3396(3) 0.066(2) Uani 1 d . .
H11A H 0.1504(3) 0.1893(5) 0.3179(3) 0.079 Uiso 1 calc R .
H11B H 0.1373(3) 0.2263(5) 0.3731(3) 0.079 Uiso 1 calc R .
C12 C 0.1108(3) 0.0760(5) 0.3519(3) 0.056(2) Uani 1 d . .
H12A H 0.0946(3) 0.0745(5) 0.3835(3) 0.067 Uiso 1 calc R .
H12B H 0.1459(3) 0.0363(5) 0.3606(3) 0.067 Uiso 1 calc R .
C111 C 0.1002(6) 0.3651(10) 0.2880(6) 0.033(4) Uani 0.517(11) d PD 1
H111 H 0.1268(6) 0.3836(10) 0.3218(6) 0.040 Uiso 0.517(11) calc PR 1
C112 C 0.1344(7) 0.3365(11) 0.2481(9) 0.068(6) Uani 0.517(11) d PD 1
H11C H 0.1096(7) 0.3166(11) 0.2139(9) 0.082 Uiso 0.517(11) calc PR 1
H11D H 0.1577(7) 0.2744(11) 0.2613(9) 0.082 Uiso 0.517(11) calc PR 1
C113 C 0.1711(7) 0.4291(12) 0.2388(9) 0.089(7) Uani 0.517(11) d PD 1
H11E H 0.1992(7) 0.4427(12) 0.2719(9) 0.107 Uiso 0.517(11) calc PR 1
H11F H 0.1905(7) 0.4097(12) 0.2106(9) 0.107 Uiso 0.517(11) calc PR 1
C114 C 0.1382(9) 0.5276(12) 0.2229(8) 0.060(7) Uani 0.517(11) d PD 1
H11G H 0.1635(9) 0.5868(12) 0.2202(8) 0.072 Uiso 0.517(11) calc PR 1
H11H H 0.1138(9) 0.5170(12) 0.1874(8) 0.072 Uiso 0.517(11) calc PR 1
C115 C 0.1045(8) 0.5563(11) 0.2613(8) 0.055(6) Uani 0.517(11) d PD 1
H11I H 0.0814(8) 0.6184(11) 0.2478(8) 0.066 Uiso 0.517(11) calc PR 1
H11J H 0.1290(8) 0.5764(11) 0.2956(8) 0.066 Uiso 0.517(11) calc PR 1
C116 C 0.0666(4) 0.4627(8) 0.2707(5) 0.038(3) Uani 0.517(11) d PD 1
H11K H 0.0466(4) 0.4829(8) 0.2984(5) 0.045 Uiso 0.517(11) calc PR 1
H11L H 0.0391(4) 0.4479(8) 0.2374(5) 0.045 Uiso 0.517(11) calc PR 1
C11A C 0.0820(6) 0.3758(11) 0.2646(5) 0.025(4) Uani 0.483(11) d PD 2
H11M H 0.0478(6) 0.4125(11) 0.2454(5) 0.030 Uiso 0.483(11) calc PR 2
C11B C 0.1130(7) 0.3410(11) 0.2233(6) 0.038(4) Uani 0.483(11) d PD 2
H11N H 0.0901(7) 0.2910(11) 0.1982(6) 0.045 Uiso 0.483(11) calc PR 2
H11O H 0.1471(7) 0.3037(11) 0.2410(6) 0.045 Uiso 0.483(11) calc PR 2
C11C C 0.1279(6) 0.4366(10) 0.1924(5) 0.050(4) Uani 0.483(11) d PD 2
H11P H 0.1484(6) 0.4123(10) 0.1658(5) 0.060 Uiso 0.483(11) calc PR 2
H11Q H 0.0939(6) 0.4723(10) 0.1733(5) 0.060 Uiso 0.483(11) calc PR 2
C11D C 0.1631(8) 0.5136(17) 0.2309(9) 0.070(8) Uani 0.483(11) d PD 2
H11R H 0.1976(8) 0.4785(17) 0.2492(9) 0.084 Uiso 0.483(11) calc PR 2
H11S H 0.1728(8) 0.5753(17) 0.2111(9) 0.084 Uiso 0.483(11) calc PR 2
C11E C 0.1319(9) 0.5498(13) 0.2706(8) 0.068(8) Uani 0.483(11) d PD 2
H11T H 0.0982(9) 0.5869(13) 0.2520(8) 0.082 Uiso 0.483(11) calc PR 2
H11U H 0.1547(9) 0.6007(13) 0.2953(8) 0.082 Uiso 0.483(11) calc PR 2
C11F C 0.1160(5) 0.4560(9) 0.3029(5) 0.040(4) Uani 0.483(11) d PD 2
H11V H 0.1496(5) 0.4216(9) 0.3237(5) 0.048 Uiso 0.483(11) calc PR 2
H11W H 0.0942(5) 0.4823(9) 0.3280(5) 0.048 Uiso 0.483(11) calc PR 2
C121 C 0.0287(2) 0.3149(4) 0.3561(2) 0.0351(14) Uani 1 d D .
H121 H 0.0031(2) 0.3718(4) 0.3385(2) 0.042 Uiso 1 calc R .
C122 C 0.0672(3) 0.3655(8) 0.4022(3) 0.087(3) Uani 1 d D .
H12C H 0.0913(3) 0.4161(8) 0.3888(3) 0.105 Uiso 1 calc R .
H12D H 0.0909(3) 0.3103(8) 0.4229(3) 0.105 Uiso 1 calc R .
C123 C 0.0367(4) 0.4237(9) 0.4385(4) 0.109(4) Uani 1 d D .
H12E H 0.0636(4) 0.4562(9) 0.4683(4) 0.130 Uiso 1 calc R .
H12F H 0.0143(4) 0.4812(9) 0.4183(4) 0.130 Uiso 1 calc R .
C124 C 0.0008(5) 0.3522(9) 0.4598(4) 0.119(5) Uani 1 d D .
H12G H 0.0238(5) 0.3026(9) 0.4851(4) 0.142 Uiso 1 calc R .
H12H H -0.0216(5) 0.3940(9) 0.4796(4) 0.142 Uiso 1 calc R .
C125 C -0.0357(5) 0.2915(8) 0.4183(6) 0.154(6) Uani 1 d D .
H12I H -0.0643(5) 0.3396(8) 0.3982(6) 0.185 Uiso 1 calc R .
H12J H -0.0546(5) 0.2369(8) 0.4353(6) 0.185 Uiso 1 calc R .
C126 C -0.0059(4) 0.2357(7) 0.3781(5) 0.132(5) Uani 1 d D .
H12K H 0.0178(4) 0.1780(7) 0.3963(5) 0.158 Uiso 1 calc R .
H12L H -0.0336(4) 0.2042(7) 0.3486(5) 0.158 Uiso 1 calc R .
C131 C 0.1093(2) -0.0457(4) 0.2544(2) 0.0308(13) Uani 1 d D .
H131 H 0.0880(2) -0.1036(4) 0.2326(2) 0.037 Uiso 1 calc R .
C132 C 0.1625(3) -0.0950(7) 0.2849(3) 0.075(3) Uani 1 d D .
H13A H 0.1544(3) -0.1477(7) 0.3105(3) 0.089 Uiso 1 calc R .
H13B H 0.1864(3) -0.0396(7) 0.3051(3) 0.089 Uiso 1 calc R .
C133 C 0.1920(4) -0.1491(9) 0.2458(3) 0.102(4) Uani 1 d D .
H13C H 0.2267(4) -0.1810(9) 0.2660(3) 0.122 Uiso 1 calc R .
H13D H 0.1686(4) -0.2070(9) 0.2274(3) 0.122 Uiso 1 calc R .
C134 C 0.2048(3) -0.0751(8) 0.2057(4) 0.094(3) Uani 1 d D .
H13E H 0.2325(3) -0.0230(8) 0.2234(4) 0.112 Uiso 1 calc R .
H13F H 0.2207(3) -0.1151(8) 0.1797(4) 0.112 Uiso 1 calc R .
C135 C 0.1549(4) -0.0185(6) 0.1773(3) 0.078(3) Uani 1 d D .
H13G H 0.1302(4) -0.0693(6) 0.1543(3) 0.093 Uiso 1 calc R .
H13H H 0.1657(4) 0.0361(6) 0.1540(3) 0.093 Uiso 1 calc R .
C136 C 0.1232(4) 0.0350(5) 0.2151(3) 0.070(2) Uani 1 d D .
H13I H 0.1459(4) 0.0925(5) 0.2349(3) 0.084 Uiso 1 calc R .
H13J H 0.0889(4) 0.0667(5) 0.1941(3) 0.084 Uiso 1 calc R .
C141 C 0.0355(11) -0.1119(15) 0.3260(10) 0.036(7) Uani 0.486(12) d PD 1
H141 H 0.0077(11) -0.1445(15) 0.2963(10) 0.043 Uiso 0.486(12) calc PR 1
C142 C 0.0766(5) -0.1992(9) 0.3472(5) 0.041(4) Uani 0.486(12) d PD 1
H14A H 0.0952(5) -0.2220(9) 0.3189(5) 0.049 Uiso 0.486(12) calc PR 1
H14B H 0.1050(5) -0.1717(9) 0.3773(5) 0.049 Uiso 0.486(12) calc PR 1
C143 C 0.0478(8) -0.2932(12) 0.3657(9) 0.050(6) Uani 0.486(12) d PD 1
H14C H 0.0219(8) -0.3244(12) 0.3347(9) 0.060 Uiso 0.486(12) calc PR 1
H14D H 0.0755(8) -0.3479(12) 0.3805(9) 0.060 Uiso 0.486(12) calc PR 1
C144 C 0.0167(8) -0.2625(16) 0.4074(8) 0.065(7) Uani 0.486(12) d PD 1
H14E H 0.0427(8) -0.2354(16) 0.4393(8) 0.078 Uiso 0.486(12) calc PR 1
H14F H -0.0020(8) -0.3255(16) 0.4179(8) 0.078 Uiso 0.486(12) calc PR 1
C145 C -0.0257(7) -0.1778(11) 0.3858(6) 0.050(4) Uani 0.486(12) d PD 1
H14G H -0.0453(7) -0.1566(11) 0.4136(6) 0.060 Uiso 0.486(12) calc PR 1
H14H H -0.0531(7) -0.2059(11) 0.3551(6) 0.060 Uiso 0.486(12) calc PR 1
C146 C 0.0039(14) -0.0809(13) 0.3684(13) 0.042(8) Uani 0.486(12) d PD 1
H14I H -0.0235(14) -0.0256(13) 0.3539(13) 0.051 Uiso 0.486(12) calc PR 1
H14J H 0.0299(14) -0.0510(13) 0.3996(13) 0.051 Uiso 0.486(12) calc PR 1
C14A C 0.0529(11) -0.1026(14) 0.3352(9) 0.040(8) Uani 0.514(12) d PD 2
H14K H 0.0901(11) -0.1208(14) 0.3570(9) 0.048 Uiso 0.514(12) calc PR 2
C14B C 0.0319(5) -0.2027(9) 0.3063(4) 0.040(4) Uani 0.514(12) d PD 2
H14L H 0.0558(5) -0.2215(9) 0.2818(4) 0.048 Uiso 0.514(12) calc PR 2
H14M H -0.0056(5) -0.1903(9) 0.2846(4) 0.048 Uiso 0.514(12) calc PR 2
C14C C 0.0305(9) -0.2945(12) 0.3439(7) 0.053(6) Uani 0.514(12) d PD 2
H14N H 0.0148(9) -0.3574(12) 0.3231(7) 0.064 Uiso 0.514(12) calc PR 2
H14O H 0.0685(9) -0.3119(12) 0.3629(7) 0.064 Uiso 0.514(12) calc PR 2
C14D C -0.0032(9) -0.2688(14) 0.3838(7) 0.064(7) Uani 0.514(12) d PD 2
H14P H -0.0001(9) -0.3276(14) 0.4097(7) 0.077 Uiso 0.514(12) calc PR 2
H14Q H -0.0423(9) -0.2625(14) 0.3652(7) 0.077 Uiso 0.514(12) calc PR 2
C14E C 0.0150(8) -0.1676(11) 0.4131(6) 0.061(5) Uani 0.514(12) d PD 2
H14R H 0.0517(8) -0.1785(11) 0.4368(6) 0.073 Uiso 0.514(12) calc PR 2
H14S H -0.0111(8) -0.1493(11) 0.4355(6) 0.073 Uiso 0.514(12) calc PR 2
C14F C 0.0183(16) -0.0755(12) 0.3756(13) 0.066(11) Uani 0.514(12) d PD 2
H14T H 0.0346(16) -0.0133(12) 0.3967(13) 0.079 Uiso 0.514(12) calc PR 2
H14U H -0.0194(16) -0.0561(12) 0.3564(13) 0.079 Uiso 0.514(12) calc PR 2
Ru2 Ru 0.5000 0.60647(5) 0.7500 0.0248(2) Uani 1 d S .
P21 P 0.55302(7) 0.46721(13) 0.79431(8) 0.0472(5) Uani 1 d . .
P22 P 0.54536(7) 0.74565(12) 0.80173(6) 0.0368(4) Uani 1 d . .
C21 C 0.5166(4) 0.3403(6) 0.7755(7) 0.127(6) Uani 1 d D .
H21Y H 0.4916(43) 0.3279(102) 0.8002(39) 0.179(58) Uiso 1 d D .
H21Z H 0.5425(21) 0.2810(38) 0.7810(25) 0.063(20) Uiso 1 d D .
C22 C 0.5298(4) 0.8720(5) 0.7663(3) 0.063(2) Uani 1 d D .
H22Y H 0.5311(28) 0.9282(41) 0.7926(22) 0.075(22) Uiso 1 d D .
H22Z H 0.5508(27) 0.8760(60) 0.7390(23) 0.084(26) Uiso 1 d D .
C211 C 0.6191(2) 0.4497(4) 0.7735(2) 0.0408(15) Uani 1 d D .
H211 H 0.6448(2) 0.5038(4) 0.7936(2) 0.049 Uiso 1 calc R .
C212 C 0.6475(3) 0.3436(5) 0.7862(3) 0.057(2) Uani 1 d D .
H21A H 0.6245(3) 0.2870(5) 0.7659(3) 0.068 Uiso 1 calc R .
H21B H 0.6522(3) 0.3282(5) 0.8245(3) 0.068 Uiso 1 calc R .
C213 C 0.7037(3) 0.3449(7) 0.7718(3) 0.082(3) Uani 1 d D .
H21C H 0.7274(3) 0.3982(7) 0.7940(3) 0.098 Uiso 1 calc R .
H21D H 0.7214(3) 0.2748(7) 0.7800(3) 0.098 Uiso 1 calc R .
C214 C 0.6997(4) 0.3701(7) 0.7142(3) 0.083(3) Uani 1 d D .
H21E H 0.7371(4) 0.3744(7) 0.7072(3) 0.099 Uiso 1 calc R .
H21F H 0.6796(4) 0.3127(7) 0.6919(3) 0.099 Uiso 1 calc R .
C215 C 0.6707(3) 0.4719(7) 0.6998(3) 0.077(3) Uani 1 d D .
H21G H 0.6654(3) 0.4835(7) 0.6610(3) 0.092 Uiso 1 calc R .
H21H H 0.6937(3) 0.5305(7) 0.7182(3) 0.092 Uiso 1 calc R .
C216 C 0.6147(3) 0.4738(7) 0.7148(3) 0.087(3) Uani 1 d D .
H21I H 0.5978(3) 0.5445(7) 0.7065(3) 0.104 Uiso 1 calc R .
H21J H 0.5902(3) 0.4210(7) 0.6930(3) 0.104 Uiso 1 calc R .
C221 C 0.5697(5) 0.4281(12) 0.8608(5) 0.034(3) Uani 0.548(14) d PD 1
H221 H 0.5833(5) 0.3536(12) 0.8610(5) 0.041 Uiso 0.548(14) calc PR 1
C222 C 0.6157(6) 0.4908(12) 0.8945(4) 0.040(3) Uani 0.548(14) d PD 1
H22A H 0.6046(6) 0.5661(12) 0.8944(4) 0.048 Uiso 0.548(14) calc PR 1
H22B H 0.6485(6) 0.4865(12) 0.8789(4) 0.048 Uiso 0.548(14) calc PR 1
C223 C 0.6306(7) 0.4509(35) 0.9516(6) 0.051(6) Uani 0.548(14) d PD 1
H22C H 0.6461(7) 0.3786(35) 0.9523(6) 0.062 Uiso 0.548(14) calc PR 1
H22D H 0.6591(7) 0.4974(35) 0.9730(6) 0.062 Uiso 0.548(14) calc PR 1
C224 C 0.5806(8) 0.4493(32) 0.9758(7) 0.085(10) Uani 0.548(14) d PD 1
H22E H 0.5908(8) 0.4165(32) 1.0115(7) 0.102 Uiso 0.548(14) calc PR 1
H22F H 0.5689(8) 0.5230(32) 0.9803(7) 0.102 Uiso 0.548(14) calc PR 1
C225 C 0.5347(5) 0.3914(11) 0.9438(4) 0.049(4) Uani 0.548(14) d PD 1
H22G H 0.5021(5) 0.4014(11) 0.9592(4) 0.059 Uiso 0.548(14) calc PR 1
H22H H 0.5437(5) 0.3150(11) 0.9457(4) 0.059 Uiso 0.548(14) calc PR 1
C226 C 0.5198(5) 0.4250(13) 0.8850(6) 0.043(4) Uani 0.548(14) d PD 1
H22I H 0.4926(5) 0.3747(13) 0.8648(6) 0.052 Uiso 0.548(14) calc PR 1
H22J H 0.5026(5) 0.4960(13) 0.8821(6) 0.052 Uiso 0.548(14) calc PR 1
C22A C 0.5750(6) 0.4834(14) 0.8761(6) 0.030(4) Uani 0.452(14) d PD 2
H22K H 0.5837(6) 0.5601(14) 0.8827(6) 0.036 Uiso 0.452(14) calc PR 2
C22B C 0.6263(6) 0.4244(16) 0.9036(6) 0.047(5) Uani 0.452(14) d PD 2
H22L H 0.6567(6) 0.4417(16) 0.8860(6) 0.056 Uiso 0.452(14) calc PR 2
H22M H 0.6195(6) 0.3473(16) 0.9001(6) 0.056 Uiso 0.452(14) calc PR 2
C22C C 0.6435(8) 0.4530(39) 0.9624(8) 0.060(9) Uani 0.452(14) d PD 2
H22N H 0.6755(8) 0.4091(39) 0.9794(8) 0.072 Uiso 0.452(14) calc PR 2
H22O H 0.6550(8) 0.5282(39) 0.9659(8) 0.072 Uiso 0.452(14) calc PR 2
C22D C 0.5973(10) 0.4356(30) 0.9905(7) 0.062(8) Uani 0.452(14) d PD 2
H22P H 0.5912(10) 0.3586(30) 0.9932(7) 0.074 Uiso 0.452(14) calc PR 2
H22Q H 0.6085(10) 0.4640(30) 1.0271(7) 0.074 Uiso 0.452(14) calc PR 2
C22E C 0.5457(8) 0.4857(23) 0.9639(7) 0.080(8) Uani 0.452(14) d PD 2
H22R H 0.5496(8) 0.5634(23) 0.9683(7) 0.096 Uiso 0.452(14) calc PR 2
H22S H 0.5162(8) 0.4624(23) 0.9814(7) 0.096 Uiso 0.452(14) calc PR 2
C22F C 0.5284(7) 0.4599(18) 0.9040(7) 0.054(7) Uani 0.452(14) d PD 2
H22T H 0.5182(7) 0.3842(18) 0.8994(7) 0.065 Uiso 0.452(14) calc PR 2
H22U H 0.4957(7) 0.5026(18) 0.8877(7) 0.065 Uiso 0.452(14) calc PR 2
C231 C 0.5208(2) 0.7649(4) 0.8642(2) 0.0355(14) Uani 1 d D .
H231 H 0.5412(2) 0.7120(4) 0.8901(2) 0.043 Uiso 1 calc R .
C232 C 0.5324(3) 0.8716(5) 0.8910(3) 0.065(2) Uani 1 d D .
H23A H 0.5105(3) 0.9267(5) 0.8684(3) 0.078 Uiso 1 calc R .
H23B H 0.5718(3) 0.8891(5) 0.8952(3) 0.078 Uiso 1 calc R .
C233 C 0.5177(4) 0.8704(7) 0.9457(4) 0.099(4) Uani 1 d D .
H23C H 0.5413(4) 0.8180(7) 0.9687(4) 0.119 Uiso 1 calc R .
H23D H 0.5256(4) 0.9409(7) 0.9624(4) 0.119 Uiso 1 calc R .
C234 C 0.4603(4) 0.8442(8) 0.9424(4) 0.108(4) Uani 1 d D .
H23E H 0.4370(4) 0.9027(8) 0.9244(4) 0.130 Uiso 1 calc R .
H23F H 0.4540(4) 0.8376(8) 0.9788(4) 0.130 Uiso 1 calc R .
C235 C 0.4434(3) 0.7437(10) 0.9129(3) 0.108(4) Uani 1 d D .
H23G H 0.4030(3) 0.7361(10) 0.9067(3) 0.130 Uiso 1 calc R .
H23H H 0.4603(3) 0.6832(10) 0.9350(3) 0.130 Uiso 1 calc R .
C236 C 0.4607(3) 0.7395(9) 0.8581(3) 0.100(4) Uani 1 d D .
H23I H 0.4532(3) 0.6679(9) 0.8426(3) 0.121 Uiso 1 calc R .
H23J H 0.4384(3) 0.7909(9) 0.8334(3) 0.121 Uiso 1 calc R .
C241 C 0.6163(5) 0.7850(13) 0.8244(5) 0.029(4) Uani 0.449(14) d PD 1
H241 H 0.6173(5) 0.8609(13) 0.8357(5) 0.035 Uiso 0.449(14) calc PR 1
C242 C 0.6474(5) 0.7194(14) 0.8706(5) 0.035(4) Uani 0.449(14) d PD 1
H24A H 0.6467(5) 0.6441(14) 0.8599(5) 0.042 Uiso 0.449(14) calc PR 1
H24B H 0.6290(5) 0.7253(14) 0.9008(5) 0.042 Uiso 0.449(14) calc PR 1
C243 C 0.7072(7) 0.7567(30) 0.8884(5) 0.041(10) Uani 0.449(14) d PD 1
H24C H 0.7079(7) 0.8314(30) 0.9000(5) 0.049 Uiso 0.449(14) calc PR 1
H24D H 0.7263(7) 0.7135(30) 0.9190(5) 0.049 Uiso 0.449(14) calc PR 1
C244 C 0.7367(7) 0.7467(31) 0.8438(8) 0.057(10) Uani 0.449(14) d PD 1
H24E H 0.7388(7) 0.6713(31) 0.8340(8) 0.068 Uiso 0.449(14) calc PR 1
H24F H 0.7747(7) 0.7739(31) 0.8555(8) 0.068 Uiso 0.449(14) calc PR 1
C245 C 0.7065(5) 0.8091(14) 0.7959(5) 0.048(5) Uani 0.449(14) d PD 1
H24G H 0.7250(5) 0.7984(14) 0.7661(5) 0.058 Uiso 0.449(14) calc PR 1
H24H H 0.7083(5) 0.8854(14) 0.8047(5) 0.058 Uiso 0.449(14) calc PR 1
C246 C 0.6456(8) 0.7749(35) 0.7781(7) 0.049(9) Uani 0.449(14) d PD 1
H24I H 0.6268(8) 0.8200(35) 0.7482(7) 0.059 Uiso 0.449(14) calc PR 1
H24J H 0.6437(8) 0.7006(35) 0.7656(7) 0.059 Uiso 0.449(14) calc PR 1
C24A C 0.6245(5) 0.7303(12) 0.8223(4) 0.034(4) Uani 0.551(14) d PD 2
H24K H 0.6311(5) 0.6547(12) 0.8334(4) 0.041 Uiso 0.551(14) calc PR 2
C24B C 0.6519(5) 0.7961(14) 0.8707(5) 0.058(4) Uani 0.551(14) d PD 2
H24L H 0.6336(5) 0.7823(14) 0.9004(5) 0.069 Uiso 0.551(14) calc PR 2
H24M H 0.6481(5) 0.8723(14) 0.8618(5) 0.069 Uiso 0.551(14) calc PR 2
C24C C 0.7134(7) 0.7668(27) 0.8877(7) 0.080(13) Uani 0.551(14) d PD 2
H24N H 0.7310(7) 0.8115(27) 0.9183(7) 0.096 Uiso 0.551(14) calc PR 2
H24O H 0.7168(7) 0.6921(27) 0.8996(7) 0.096 Uiso 0.551(14) calc PR 2
C24D C 0.7429(7) 0.7811(26) 0.8443(9) 0.071(11) Uani 0.551(14) d PD 2
H24P H 0.7815(7) 0.7576(26) 0.8566(9) 0.086 Uiso 0.551(14) calc PR 2
H24Q H 0.7432(7) 0.8571(26) 0.8351(9) 0.086 Uiso 0.551(14) calc PR 2
C24E C 0.7157(4) 0.7184(13) 0.7952(5) 0.057(4) Uani 0.551(14) d PD 2
H24R H 0.7197(4) 0.6418(13) 0.8031(5) 0.068 Uiso 0.551(14) calc PR 2
H24S H 0.7345(4) 0.7340(13) 0.7660(5) 0.068 Uiso 0.551(14) calc PR 2
C24F C 0.6545(6) 0.7464(28) 0.7774(6) 0.053(8) Uani 0.551(14) d PD 2
H24T H 0.6507(6) 0.8211(28) 0.7656(6) 0.063 Uiso 0.551(14) calc PR 2
H24U H 0.6373(6) 0.7014(28) 0.7468(6) 0.063 Uiso 0.551(14) calc PR 2
B B 0.2632(3) 0.9766(5) -0.0162(3) 0.037(2) Uani 1 d . .
C311 C 0.2005(2) 0.9822(5) -0.0060(2) 0.0381(14) Uani 1 d . .
C312 C 0.1811(3) 1.0733(5) 0.0136(3) 0.055(2) Uani 1 d . .
H312 H 0.2037(3) 1.1346(5) 0.0183(3) 0.066 Uiso 1 calc R .
C313 C 0.1298(3) 1.0789(7) 0.0266(3) 0.076(2) Uani 1 d . .
H313 H 0.1189(3) 1.1432(7) 0.0404(3) 0.092 Uiso 1 calc R .
C314 C 0.0949(3) 0.9943(7) 0.0200(3) 0.067(2) Uani 1 d . .
H314 H 0.0595(3) 0.9989(7) 0.0279(3) 0.080 Uiso 1 calc R .
C315 C 0.1129(3) 0.9033(7) 0.0017(3) 0.068(2) Uani 1 d . .
H315 H 0.0903(3) 0.8420(7) -0.0015(3) 0.082 Uiso 1 calc R .
C316 C 0.1638(3) 0.8971(6) -0.0125(2) 0.054(2) Uani 1 d . .
H316 H 0.1737(3) 0.8329(6) -0.0271(2) 0.065 Uiso 1 calc R .
C321 C 0.2687(2) 0.8894(5) -0.0622(2) 0.0423(15) Uani 1 d . .
C322 C 0.2713(2) 0.9150(5) -0.1143(2) 0.046(2) Uani 1 d . .
H322 H 0.2700(2) 0.9874(5) -0.1244(2) 0.055 Uiso 1 calc R .
C323 C 0.2757(3) 0.8386(7) -0.1519(3) 0.065(2) Uani 1 d . .
H323 H 0.2774(3) 0.8596(7) -0.1868(3) 0.078 Uiso 1 calc R .
C324 C 0.2775(3) 0.7338(7) -0.1389(3) 0.073(2) Uani 1 d . .
H324 H 0.2806(3) 0.6817(7) -0.1646(3) 0.087 Uiso 1 calc R .
C325 C 0.2748(3) 0.7050(6) -0.0893(3) 0.072(2) Uani 1 d . .
H325 H 0.2760(3) 0.6320(6) -0.0801(3) 0.086 Uiso 1 calc R .
C326 C 0.2703(3) 0.7807(5) -0.0512(3) 0.060(2) Uani 1 d . .
H326 H 0.2683(3) 0.7578(5) -0.0166(3) 0.072 Uiso 1 calc R .
C331 C 0.2794(2) 1.0950(5) -0.0344(2) 0.0360(14) Uani 1 d . .
C332 C 0.2444(3) 1.1496(5) -0.0765(2) 0.047(2) Uani 1 d . .
H332 H 0.2108(3) 1.1166(5) -0.0936(2) 0.057 Uiso 1 calc R .
C333 C 0.2562(3) 1.2478(6) -0.0941(3) 0.061(2) Uani 1 d . .
H333 H 0.2311(3) 1.2806(6) -0.1227(3) 0.073 Uiso 1 calc R .
C334 C 0.3036(4) 1.2983(6) -0.0707(3) 0.068(2) Uani 1 d . .
H334 H 0.3114(4) 1.3664(6) -0.0828(3) 0.082 Uiso 1 calc R .
C335 C 0.3398(3) 1.2508(5) -0.0299(3) 0.059(2) Uani 1 d . .
H335 H 0.3729(3) 1.2857(5) -0.0132(3) 0.070 Uiso 1 calc R .
C336 C 0.3276(3) 1.1496(5) -0.0129(2) 0.044(2) Uani 1 d . .
H336 H 0.3538(3) 1.1167(5) 0.0148(2) 0.052 Uiso 1 calc R .
C341 C 0.3059(2) 0.9418(4) 0.0398(2) 0.0339(13) Uani 1 d . .
C342 C 0.2926(2) 0.9404(4) 0.0893(2) 0.0358(14) Uani 1 d . .
H342 H 0.2562(2) 0.9584(4) 0.0916(2) 0.043 Uiso 1 calc R .
C343 C 0.3307(3) 0.9136(5) 0.1354(2) 0.049(2) Uani 1 d . .
H343 H 0.3199(3) 0.9133(5) 0.1685(2) 0.059 Uiso 1 calc R .
C344 C 0.3835(3) 0.8876(5) 0.1340(3) 0.049(2) Uani 1 d . .
H344 H 0.4097(3) 0.8710(5) 0.1657(3) 0.058 Uiso 1 calc R .
C345 C 0.3981(3) 0.8860(4) 0.0855(3) 0.045(2) Uani 1 d . .
H345 H 0.4344(3) 0.8666(4) 0.0835(3) 0.054 Uiso 1 calc R .
C346 C 0.3598(2) 0.9127(5) 0.0396(3) 0.043(2) Uani 1 d . .
H346 H 0.3707(2) 0.9111(5) 0.0066(3) 0.051 Uiso 1 calc R .
C1 C 0.1977(6) 1.3850(10) -0.0077(5) 0.153(6) Uani 1 d D .
H1A H 0.2015(6) 1.3163(10) -0.0250(5) 0.183 Uiso 1 calc R .
H1B H 0.2329(6) 1.3982(10) 0.0181(5) 0.183 Uiso 1 calc R .
Cl11 Cl 0.1903(2) 1.4804(3) -0.05521(15) 0.163(2) Uani 1 d D .
Cl12 Cl 0.1497(2) 1.3718(3) 0.0259(2) 0.195(2) Uani 1 d D .
C2 C 0.3775(3) 1.1007(7) -0.1353(3) 0.075(2) Uani 1 d . .
H2A H 0.3475(3) 1.1476(7) -0.1299(3) 0.090 Uiso 1 calc R .
H2B H 0.3782(3) 1.0379(7) -0.1122(3) 0.090 Uiso 1 calc R .
Cl21 Cl 0.43964(10) 1.1672(3) -0.11666(14) 0.1297(11) Uani 1 d D .
Cl22 Cl 0.36384(13) 1.0598(2) -0.20159(11) 0.1115(9) Uani 1 d D .
C3 C 0.1930(7) 0.6814(16) 0.0761(9) 0.277(14) Uani 1 d . .
H3A H 0.1836(7) 0.6894(16) 0.0370(9) 0.332 Uiso 1 calc R .
H3B H 0.2062(7) 0.7515(16) 0.0907(9) 0.332 Uiso 1 calc R .
Cl31 Cl 0.1354(2) 0.6609(5) 0.0936(2) 0.243(3) Uani 1 d D .
Cl32 Cl 0.2399(2) 0.6121(7) 0.0880(2) 0.301(4) Uani 1 d D .
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'
B B 0.0013 0.0007 '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'
Cl Cl 0.1484 0.1585 '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
P12 Ru1 P12 96.94(8) 2 . ?
P12 Ru1 P11 174.37(5) 2 . ?
P12 Ru1 P11 82.61(6) . . ?
P12 Ru1 P11 82.61(6) 2 2 ?
P12 Ru1 P11 174.37(5) . 2 ?
P11 Ru1 P11 98.40(8) . 2 ?
C111 P11 C11 90.5(5) . . ?
C111 P11 C121 100.9(5) . . ?
C11 P11 C121 104.7(3) . . ?
C11 P11 C11A 107.9(5) . . ?
C121 P11 C11A 105.5(4) . . ?
C111 P11 Ru1 133.2(5) . . ?
C11 P11 Ru1 110.4(2) . . ?
C121 P11 Ru1 112.5(2) . . ?
C11A P11 Ru1 115.1(4) . . ?
C14A P12 C12 93.8(9) . . ?
C14A P12 C131 102.0(7) . . ?
C12 P12 C131 104.7(3) . . ?
C12 P12 C141 105.8(9) . . ?
C131 P12 C141 104.5(6) . . ?
C14A P12 Ru1 129.9(9) . . ?
C12 P12 Ru1 109.8(2) . . ?
C131 P12 Ru1 112.9(2) . . ?
C141 P12 Ru1 118.0(8) . . ?
C12 C11 P11 111.3(4) . . ?
C11 C12 P12 112.4(5) . . ?
C116 C111 C112 110.8(11) . . ?
C116 C111 P11 112.9(9) . . ?
C112 C111 P11 113.0(10) . . ?
C111 C112 C113 111.6(12) . . ?
C114 C113 C112 111.5(12) . . ?
C115 C114 C113 112.2(13) . . ?
C114 C115 C116 111.8(11) . . ?
C111 C116 C115 110.5(10) . . ?
C11B C11A C11F 110.5(10) . . ?
C11B C11A P11 112.3(9) . . ?
C11F C11A P11 111.4(9) . . ?
C11A C11B C11C 110.9(11) . . ?
C11D C11C C11B 109.5(12) . . ?
C11E C11D C11C 109.4(13) . . ?
C11D C11E C11F 111.8(13) . . ?
C11A C11F C11E 109.3(11) . . ?
C122 C121 C126 107.6(7) . . ?
C122 C121 P11 117.3(4) . . ?
C126 C121 P11 111.6(4) . . ?
C121 C122 C123 112.0(6) . . ?
C124 C123 C122 111.4(8) . . ?
C125 C124 C123 112.5(7) . . ?
C124 C125 C126 114.2(9) . . ?
C121 C126 C125 110.1(6) . . ?
C132 C131 C136 108.4(5) . . ?
C132 C131 P12 115.6(4) . . ?
C136 C131 P12 112.7(4) . . ?
C131 C132 C133 109.5(6) . . ?
C134 C133 C132 112.8(8) . . ?
C135 C134 C133 111.3(6) . . ?
C134 C135 C136 113.0(7) . . ?
C131 C136 C135 110.6(5) . . ?
C142 C141 C146 110.0(16) . . ?
C142 C141 P12 116.6(14) . . ?
C146 C141 P12 111.8(13) . . ?
C143 C142 C141 110.5(12) . . ?
C144 C143 C142 112.1(13) . . ?
C143 C144 C145 110.3(13) . . ?
C144 C145 C146 108.9(16) . . ?
C141 C146 C145 111.1(14) . . ?
C14B C14A C14F 109.9(16) . . ?
C14B C14A P12 117.8(14) . . ?
C14F C14A P12 112.4(13) . . ?
C14A C14B C14C 112.4(11) . . ?
C14D C14C C14B 111.7(12) . . ?
C14C C14D C14E 112.0(13) . . ?
C14D C14E C14F 112.5(16) . . ?
C14E C14F C14A 112.2(13) . . ?
P21 Ru2 P21 82.52(9) 2_656 . ?
P21 Ru2 P22 172.68(6) 2_656 . ?
P21 Ru2 P22 97.90(6) . . ?
P21 Ru2 P22 97.90(6) 2_656 2_656 ?
P21 Ru2 P22 172.68(6) . 2_656 ?
P22 Ru2 P22 82.63(8) . 2_656 ?
C221 P21 C21 90.5(7) . . ?
C221 P21 C211 102.6(4) . . ?
C21 P21 C211 103.6(5) . . ?
C21 P21 C22A 110.8(7) . . ?
C211 P21 C22A 104.9(4) . . ?
C221 P21 Ru2 132.7(5) . . ?
C21 P21 Ru2 109.4(3) . . ?
C211 P21 Ru2 112.9(2) . . ?
C22A P21 Ru2 114.6(4) . . ?
C241 P22 C22 90.3(6) . . ?
C241 P22 C231 99.8(5) . . ?
C22 P22 C231 104.1(3) . . ?
C22 P22 C24A 108.2(5) . . ?
C231 P22 C24A 106.7(4) . . ?
C241 P22 Ru2 134.9(5) . . ?
C22 P22 Ru2 110.3(2) . . ?
C231 P22 Ru2 112.4(2) . . ?
C24A P22 Ru2 114.5(4) . . ?
C21 C21 P21 113.7(8) 2_656 . ?
C22 C22 P22 110.1(4) 2_656 . ?
C212 C211 C216 108.5(6) . . ?
C212 C211 P21 116.4(4) . . ?
C216 C211 P21 113.1(5) . . ?
C211 C212 C213 110.4(6) . . ?
C214 C213 C212 112.3(7) . . ?
C215 C214 C213 110.8(6) . . ?
C214 C215 C216 111.8(6) . . ?
C211 C216 C215 112.4(6) . . ?
C222 C221 C226 111.5(11) . . ?
C222 C221 P21 113.9(9) . . ?
C226 C221 P21 112.0(9) . . ?
C221 C222 C223 112.2(14) . . ?
C224 C223 C222 110.9(16) . . ?
C225 C224 C223 112.9(18) . . ?
C224 C225 C226 114.1(13) . . ?
C221 C226 C225 112.0(10) . . ?
C22B C22A C22F 109.6(12) . . ?
C22B C22A P21 115.7(10) . . ?
C22F C22A P21 114.0(11) . . ?
C22A C22B C22C 111.8(17) . . ?
C22D C22C C22B 111.6(18) . . ?
C22E C22D C22C 113.4(20) . . ?
C22D C22E C22F 113.6(17) . . ?
C22A C22F C22E 111.0(13) . . ?
C236 C231 C232 108.8(6) . . ?
C236 C231 P22 113.2(4) . . ?
C232 C231 P22 116.4(4) . . ?
C231 C232 C233 110.5(6) . . ?
C234 C233 C232 112.4(8) . . ?
C233 C234 C235 112.7(7) . . ?
C234 C235 C236 112.7(8) . . ?
C231 C236 C235 111.5(6) . . ?
C242 C241 C246 108.5(15) . . ?
C242 C241 P22 113.4(10) . . ?
C246 C241 P22 109.1(11) . . ?
C241 C242 C243 111.1(14) . . ?
C244 C243 C242 110.8(15) . . ?
C243 C244 C245 110.0(17) . . ?
C244 C245 C246 111.9(17) . . ?
C241 C246 C245 110.7(14) . . ?
C24F C24A C24B 110.0(13) . . ?
C24F C24A P22 114.9(9) . . ?
C24B C24A P22 114.3(9) . . ?
C24A C24B C24C 109.7(14) . . ?
C24D C24C C24B 112.6(14) . . ?
C24C C24D C24E 111.3(17) . . ?
C24D C24E C24F 111.0(15) . . ?
C24A C24F C24E 111.4(12) . . ?
C331 B C311 108.0(5) . . ?
C331 B C321 109.8(5) . . ?
C311 B C321 112.3(5) . . ?
C331 B C341 109.8(5) . . ?
C311 B C341 108.8(5) . . ?
C321 B C341 108.1(5) . . ?
C312 C311 C316 114.2(6) . . ?
C312 C311 B 121.0(5) . . ?
C316 C311 B 124.6(6) . . ?
C311 C312 C313 122.9(7) . . ?
C314 C313 C312 121.6(8) . . ?
C315 C314 C313 117.1(7) . . ?
C314 C315 C316 121.9(7) . . ?
C311 C316 C315 122.2(7) . . ?
C322 C321 C326 114.6(6) . . ?
C322 C321 B 124.5(6) . . ?
C326 C321 B 120.9(6) . . ?
C323 C322 C321 122.6(7) . . ?
C324 C323 C322 120.4(7) . . ?
C325 C324 C323 119.3(7) . . ?
C324 C325 C326 120.9(8) . . ?
C325 C326 C321 122.3(7) . . ?
C336 C331 C332 113.3(6) . . ?
C336 C331 B 125.7(5) . . ?
C332 C331 B 120.9(5) . . ?
C333 C332 C331 123.5(6) . . ?
C334 C333 C332 120.4(7) . . ?
C333 C334 C335 119.8(7) . . ?
C334 C335 C336 119.2(7) . . ?
C331 C336 C335 123.7(6) . . ?
C342 C341 C346 115.4(5) . . ?
C342 C341 B 124.5(5) . . ?
C346 C341 B 120.1(5) . . ?
C341 C342 C343 122.1(6) . . ?
C344 C343 C342 121.0(6) . . ?
C343 C344 C345 118.6(6) . . ?
C344 C345 C346 120.0(6) . . ?
C345 C346 C341 122.8(6) . . ?
Cl12 C1 Cl11 118.7(7) . . ?
Cl21 C2 Cl22 112.5(5) . . ?
Cl32 C3 Cl31 124.9(11) . . ?
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
Ru1 P12 2.346(2) 2 ?
Ru1 P12 2.346(2) . ?
Ru1 P11 2.353(2) . ?
Ru1 P11 2.353(2) 2 ?
P11 C111 1.815(13) . ?
P11 C11 1.847(6) . ?
P11 C121 1.867(5) . ?
P11 C11A 1.970(13) . ?
P12 C14A 1.80(2) . ?
P12 C12 1.844(6) . ?
P12 C131 1.870(5) . ?
P12 C141 1.93(2) . ?
C11 C12 1.489(10) . ?
C111 C116 1.502(14) . ?
C111 C112 1.52(2) . ?
C112 C113 1.54(2) . ?
C113 C114 1.50(2) . ?
C114 C115 1.48(2) . ?
C115 C116 1.57(2) . ?
C11A C11B 1.51(2) . ?
C11A C11F 1.532(15) . ?
C11B C11C 1.54(2) . ?
C11C C11D 1.52(2) . ?
C11D C11E 1.49(2) . ?
C11E C11F 1.55(2) . ?
C121 C122 1.496(8) . ?
C121 C126 1.513(9) . ?
C122 C123 1.522(10) . ?
C123 C124 1.461(12) . ?
C124 C125 1.460(14) . ?
C125 C126 1.572(11) . ?
C131 C132 1.517(8) . ?
C131 C136 1.531(8) . ?
C132 C133 1.535(9) . ?
C133 C134 1.482(11) . ?
C134 C135 1.480(10) . ?
C135 C136 1.541(9) . ?
C141 C142 1.52(2) . ?
C141 C146 1.53(2) . ?
C142 C143 1.52(2) . ?
C143 C144 1.51(2) . ?
C144 C145 1.52(2) . ?
C145 C146 1.55(2) . ?
C14A C14B 1.50(2) . ?
C14A C14F 1.53(2) . ?
C14B C14C 1.52(2) . ?
C14C C14D 1.50(2) . ?
C14D C14E 1.50(2) . ?
C14E C14F 1.53(2) . ?
Ru2 P21 2.340(2) 2_656 ?
Ru2 P21 2.340(2) . ?
Ru2 P22 2.341(2) . ?
Ru2 P22 2.341(2) 2_656 ?
P21 C221 1.743(11) . ?
P21 C21 1.853(9) . ?
P21 C211 1.856(6) . ?
P21 C22A 2.07(2) . ?
P22 C241 1.805(13) . ?
P22 C22 1.838(6) . ?
P22 C231 1.863(6) . ?
P22 C24A 1.935(13) . ?
C21 C21 1.39(3) 2_656 ?
C22 C22 1.54(2) 2_656 ?
C211 C212 1.518(8) . ?
C211 C216 1.524(9) . ?
C212 C213 1.527(9) . ?
C213 C214 1.502(10) . ?
C214 C215 1.482(11) . ?
C215 C216 1.530(10) . ?
C221 C222 1.500(14) . ?
C221 C226 1.513(14) . ?
C222 C223 1.52(2) . ?
C223 C224 1.52(2) . ?
C224 C225 1.45(2) . ?
C225 C226 1.54(2) . ?
C22A C22B 1.51(2) . ?
C22A C22F 1.53(2) . ?
C22B C22C 1.52(2) . ?
C22C C22D 1.51(2) . ?
C22D C22E 1.46(2) . ?
C22E C22F 1.54(2) . ?
C231 C236 1.506(8) . ?
C231 C232 1.512(8) . ?
C232 C233 1.536(9) . ?
C233 C234 1.453(12) . ?
C234 C235 1.492(13) . ?
C235 C236 1.566(10) . ?
C241 C242 1.52(2) . ?
C241 C246 1.54(2) . ?
C242 C243 1.53(2) . ?
C243 C244 1.50(2) . ?
C244 C245 1.52(2) . ?
C245 C246 1.55(2) . ?
C24A C24F 1.526(15) . ?
C24A C24B 1.529(14) . ?
C24B C24C 1.54(2) . ?
C24C C24D 1.48(2) . ?
C24D C24E 1.52(2) . ?
C24E C24F 1.54(2) . ?
B C331 1.645(9) . ?
B C311 1.644(9) . ?
B C321 1.647(9) . ?
B C341 1.653(8) . ?
C311 C312 1.386(9) . ?
C311 C316 1.397(8) . ?
C312 C313 1.394(9) . ?
C313 C314 1.365(11) . ?
C314 C315 1.357(11) . ?
C315 C316 1.399(10) . ?
C321 C322 1.397(8) . ?
C321 C326 1.401(9) . ?
C322 C323 1.389(9) . ?
C323 C324 1.364(11) . ?
C324 C325 1.348(11) . ?
C325 C326 1.393(10) . ?
C331 C336 1.390(8) . ?
C331 C332 1.413(8) . ?
C332 C333 1.376(9) . ?
C333 C334 1.360(10) . ?
C334 C335 1.364(10) . ?
C335 C336 1.407(9) . ?
C341 C342 1.390(8) . ?
C341 C346 1.392(8) . ?
C342 C343 1.390(8) . ?
C343 C344 1.366(9) . ?
C344 C345 1.377(9) . ?
C345 C346 1.389(8) . ?
C1 Cl12 1.636(10) . ?
C1 Cl11 1.699(9) . ?
C2 Cl21 1.734(8) . ?
C2 Cl22 1.746(9) . ?
C3 Cl32 1.44(2) . ?
C3 Cl31 1.62(2) . ?
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
P12 Ru1 P11 C111 -154.8(8) 2 . . . ?
P12 Ru1 P11 C111 119.6(6) . . . . ?
P11 Ru1 P11 C111 -54.8(6) 2 . . . ?
P12 Ru1 P11 C11 94.0(7) 2 . . . ?
P12 Ru1 P11 C11 8.3(3) . . . . ?
P11 Ru1 P11 C11 -166.1(3) 2 . . . ?
P12 Ru1 P11 C121 -22.7(7) 2 . . . ?
P12 Ru1 P11 C121 -108.3(2) . . . . ?
P11 Ru1 P11 C121 77.2(2) 2 . . . ?
P12 Ru1 P11 C11A -143.5(7) 2 . . . ?
P12 Ru1 P11 C11A 130.8(5) . . . . ?
P11 Ru1 P11 C11A -43.6(5) 2 . . . ?
P12 Ru1 P12 C14A -50.3(9) 2 . . . ?
P11 Ru1 P12 C14A 124.0(9) . . . . ?
P11 Ru1 P12 C14A -135.3(10) 2 . . . ?
P12 Ru1 P12 C12 -163.6(3) 2 . . . ?
P11 Ru1 P12 C12 10.8(3) . . . . ?
P11 Ru1 P12 C12 111.5(6) 2 . . . ?
P12 Ru1 P12 C131 80.0(2) 2 . . . ?
P11 Ru1 P12 C131 -105.7(2) . . . . ?
P11 Ru1 P12 C131 -5.0(6) 2 . . . ?
P12 Ru1 P12 C141 -42.2(8) 2 . . . ?
P11 Ru1 P12 C141 132.2(8) . . . . ?
P11 Ru1 P12 C141 -127.2(10) 2 . . . ?
C111 P11 C11 C12 -168.2(7) . . . . ?
C121 P11 C11 C12 90.4(5) . . . . ?
C11A P11 C11 C12 -157.6(6) . . . . ?
Ru1 P11 C11 C12 -31.0(6) . . . . ?
P11 C11 C12 P12 40.9(7) . . . . ?
C14A P12 C12 C11 -168.5(9) . . . . ?
C131 P12 C12 C11 88.0(5) . . . . ?
C141 P12 C12 C11 -161.9(7) . . . . ?
Ru1 P12 C12 C11 -33.5(6) . . . . ?
C11 P11 C111 C116 -162.9(10) . . . . ?
C121 P11 C111 C116 -57.8(11) . . . . ?
C11A P11 C111 C116 47.3(17) . . . . ?
Ru1 P11 C111 C116 77.9(11) . . . . ?
C11 P11 C111 C112 70.4(12) . . . . ?
C121 P11 C111 C112 175.5(11) . . . . ?
C11A P11 C111 C112 -79.4(23) . . . . ?
Ru1 P11 C111 C112 -48.8(14) . . . . ?
C116 C111 C112 C113 55.8(19) . . . . ?
P11 C111 C112 C113 -176.4(13) . . . . ?
C111 C112 C113 C114 -54.5(22) . . . . ?
C112 C113 C114 C115 54.3(23) . . . . ?
C113 C114 C115 C116 -54.6(22) . . . . ?
C112 C111 C116 C115 -55.3(16) . . . . ?
P11 C111 C116 C115 176.8(10) . . . . ?
C114 C115 C116 C111 55.3(19) . . . . ?
C111 P11 C11A C11B 94.9(23) . . . . ?
C11 P11 C11A C11B 62.9(10) . . . . ?
C121 P11 C11A C11B 174.4(9) . . . . ?
Ru1 P11 C11A C11B -61.0(11) . . . . ?
C111 P11 C11A C11F -29.7(16) . . . . ?
C11 P11 C11A C11F -61.7(10) . . . . ?
C121 P11 C11A C11F 49.9(10) . . . . ?
Ru1 P11 C11A C11F 174.5(8) . . . . ?
C11F C11A C11B C11C -57.4(16) . . . . ?
P11 C11A C11B C11C 177.6(10) . . . . ?
C11A C11B C11C C11D 59.0(17) . . . . ?
C11B C11C C11D C11E -59.5(20) . . . . ?
C11C C11D C11E C11F 59.7(21) . . . . ?
C11B C11A C11F C11E 55.2(16) . . . . ?
P11 C11A C11F C11E -179.2(11) . . . . ?
C11D C11E C11F C11A -57.5(19) . . . . ?
C111 P11 C121 C122 -52.3(8) . . . . ?
C11 P11 C121 C122 41.1(6) . . . . ?
C11A P11 C121 C122 -72.6(7) . . . . ?
Ru1 P11 C121 C122 161.1(5) . . . . ?
C111 P11 C121 C126 -177.2(8) . . . . ?
C11 P11 C121 C126 -83.7(7) . . . . ?
C11A P11 C121 C126 162.5(8) . . . . ?
Ru1 P11 C121 C126 36.3(7) . . . . ?
C126 C121 C122 C123 -60.8(10) . . . . ?
P11 C121 C122 C123 172.4(7) . . . . ?
C121 C122 C123 C124 59.4(11) . . . . ?
C122 C123 C124 C125 -52.1(12) . . . . ?
C123 C124 C125 C126 49.5(14) . . . . ?
C122 C121 C126 C125 55.5(12) . . . . ?
P11 C121 C126 C125 -174.4(8) . . . . ?
C124 C125 C126 C121 -51.9(14) . . . . ?
C14A P12 C131 C132 -56.7(10) . . . . ?
C12 P12 C131 C132 40.6(6) . . . . ?
C141 P12 C131 C132 -70.5(11) . . . . ?
Ru1 P12 C131 C132 160.0(5) . . . . ?
C14A P12 C131 C136 177.9(10) . . . . ?
C12 P12 C131 C136 -84.9(5) . . . . ?
C141 P12 C131 C136 164.1(10) . . . . ?
Ru1 P12 C131 C136 34.6(5) . . . . ?
C136 C131 C132 C133 -59.2(9) . . . . ?
P12 C131 C132 C133 173.1(6) . . . . ?
C131 C132 C133 C134 58.6(10) . . . . ?
C132 C133 C134 C135 -54.1(11) . . . . ?
C133 C134 C135 C136 52.0(11) . . . . ?
C132 C131 C136 C135 57.7(8) . . . . ?
P12 C131 C136 C135 -173.1(5) . . . . ?
C134 C135 C136 C131 -54.8(10) . . . . ?
C14A P12 C141 C142 -37.6(38) . . . . ?
C12 P12 C141 C142 -66.8(17) . . . . ?
C131 P12 C141 C142 43.5(19) . . . . ?
Ru1 P12 C141 C142 169.8(13) . . . . ?
C14A P12 C141 C146 90.1(54) . . . . ?
C12 P12 C141 C146 60.9(23) . . . . ?
C131 P12 C141 C146 171.2(21) . . . . ?
Ru1 P12 C141 C146 -62.4(25) . . . . ?
C146 C141 C142 C143 55.7(25) . . . . ?
P12 C141 C142 C143 -175.7(14) . . . . ?
C141 C142 C143 C144 -56.8(21) . . . . ?
C142 C143 C144 C145 58.3(22) . . . . ?
C143 C144 C145 C146 -58.0(23) . . . . ?
C142 C141 C146 C145 -57.4(33) . . . . ?
P12 C141 C146 C145 171.4(19) . . . . ?
C144 C145 C146 C141 58.5(30) . . . . ?
C12 P12 C14A C14B -159.7(16) . . . . ?
C131 P12 C14A C14B -53.7(18) . . . . ?
C141 P12 C14A C14B 48.3(41) . . . . ?
Ru1 P12 C14A C14B 80.4(17) . . . . ?
C12 P12 C14A C14F 71.1(23) . . . . ?
C131 P12 C14A C14F 177.0(22) . . . . ?
C141 P12 C14A C14F -80.9(51) . . . . ?
Ru1 P12 C14A C14F -48.9(26) . . . . ?
C14F C14A C14B C14C -55.7(25) . . . . ?
P12 C14A C14B C14C 173.9(14) . . . . ?
C14A C14B C14C C14D 56.3(20) . . . . ?
C14B C14C C14D C14E -53.3(22) . . . . ?
C14C C14D C14E C14F 51.8(26) . . . . ?
C14D C14E C14F C14A -52.3(35) . . . . ?
C14B C14A C14F C14E 53.6(34) . . . . ?
P12 C14A C14F C14E -173.2(21) . . . . ?
P21 Ru2 P21 C221 -118.0(6) 2_656 . . . ?
P22 Ru2 P21 C221 54.6(6) . . . . ?
P22 Ru2 P21 C221 148.3(7) 2_656 . . . ?
P21 Ru2 P21 C21 -8.2(6) 2_656 . . . ?
P22 Ru2 P21 C21 164.4(6) . . . . ?
P22 Ru2 P21 C21 -101.9(8) 2_656 . . . ?
P21 Ru2 P21 C211 106.6(2) 2_656 . . . ?
P22 Ru2 P21 C211 -80.8(2) . . . . ?
P22 Ru2 P21 C211 12.9(6) 2_656 . . . ?
P21 Ru2 P21 C22A -133.4(5) 2_656 . . . ?
P22 Ru2 P21 C22A 39.2(5) . . . . ?
P22 Ru2 P21 C22A 132.9(7) 2_656 . . . ?
P21 Ru2 P22 C241 142.3(7) 2_656 . . . ?
P21 Ru2 P22 C241 49.6(6) . . . . ?
P22 Ru2 P22 C241 -123.0(6) 2_656 . . . ?
P21 Ru2 P22 C22 -105.5(6) 2_656 . . . ?
P21 Ru2 P22 C22 161.7(3) . . . . ?
P22 Ru2 P22 C22 -10.9(3) 2_656 . . . ?
P21 Ru2 P22 C231 10.1(6) 2_656 . . . ?
P21 Ru2 P22 C231 -82.6(2) . . . . ?
P22 Ru2 P22 C231 104.8(2) 2_656 . . . ?
P21 Ru2 P22 C24A 132.1(6) 2_656 . . . ?
P21 Ru2 P22 C24A 39.4(4) . . . . ?
P22 Ru2 P22 C24A -133.2(4) 2_656 . . . ?
C221 P21 C21 C21 166.1(16) . . . 2_656 ?
C211 P21 C21 C21 -90.8(14) . . . 2_656 ?
C22A P21 C21 C21 157.2(14) . . . 2_656 ?
Ru2 P21 C21 C21 29.8(17) . . . 2_656 ?
C241 P22 C22 C22 174.5(8) . . . 2_656 ?
C231 P22 C22 C22 -85.3(7) . . . 2_656 ?
C24A P22 C22 C22 161.5(7) . . . 2_656 ?
Ru2 P22 C22 C22 35.5(8) . . . 2_656 ?
C221 P21 C211 C212 50.4(7) . . . . ?
C21 P21 C211 C212 -43.3(7) . . . . ?
C22A P21 C211 C212 73.0(7) . . . . ?
Ru2 P21 C211 C212 -161.5(4) . . . . ?
C221 P21 C211 C216 177.0(7) . . . . ?
C21 P21 C211 C216 83.4(7) . . . . ?
C22A P21 C211 C216 -160.3(7) . . . . ?
Ru2 P21 C211 C216 -34.8(6) . . . . ?
C216 C211 C212 C213 56.8(8) . . . . ?
P21 C211 C212 C213 -174.3(5) . . . . ?
C211 C212 C213 C214 -58.1(9) . . . . ?
C212 C213 C214 C215 55.7(9) . . . . ?
C213 C214 C215 C216 -53.6(10) . . . . ?
C212 C211 C216 C215 -56.1(9) . . . . ?
P21 C211 C216 C215 173.2(6) . . . . ?
C214 C215 C216 C211 55.4(10) . . . . ?
C21 P21 C221 C222 162.3(12) . . . . ?
C211 P21 C221 C222 58.3(12) . . . . ?
C22A P21 C221 C222 -40.4(14) . . . . ?
Ru2 P21 C221 C222 -80.3(11) . . . . ?
C21 P21 C221 C226 -70.0(11) . . . . ?
C211 P21 C221 C226 -174.0(10) . . . . ?
C22A P21 C221 C226 87.3(18) . . . . ?
Ru2 P21 C221 C226 47.4(13) . . . . ?
C226 C221 C222 C223 54.6(21) . . . . ?
P21 C221 C222 C223 -177.5(15) . . . . ?
C221 C222 C223 C224 -55.1(33) . . . . ?
C222 C223 C224 C225 53.2(39) . . . . ?
C223 C224 C225 C226 -50.9(32) . . . . ?
C222 C221 C226 C225 -50.6(17) . . . . ?
P21 C221 C226 C225 -179.6(10) . . . . ?
C224 C225 C226 C221 49.6(21) . . . . ?
C221 P21 C22A C22B 55.8(17) . . . . ?
C21 P21 C22A C22B 80.2(15) . . . . ?
C211 P21 C22A C22B -31.0(15) . . . . ?
Ru2 P21 C22A C22B -155.4(13) . . . . ?
C221 P21 C22A C22F -72.7(18) . . . . ?
C21 P21 C22A C22F -48.3(13) . . . . ?
C211 P21 C22A C22F -159.5(12) . . . . ?
Ru2 P21 C22A C22F 76.1(13) . . . . ?
C22F C22A C22B C22C -57.2(25) . . . . ?
P21 C22A C22B C22C 172.2(18) . . . . ?
C22A C22B C22C C22D 54.9(38) . . . . ?
C22B C22C C22D C22E -51.1(44) . . . . ?
C22C C22D C22E C22F 50.3(39) . . . . ?
C22B C22A C22F C22E 54.9(22) . . . . ?
P21 C22A C22F C22E -173.6(14) . . . . ?
C22D C22E C22F C22A -52.5(30) . . . . ?
C241 P22 C231 C236 179.1(7) . . . . ?
C22 P22 C231 C236 86.4(6) . . . . ?
C24A P22 C231 C236 -159.3(7) . . . . ?
Ru2 P22 C231 C236 -33.0(6) . . . . ?
C241 P22 C231 C232 52.0(7) . . . . ?
C22 P22 C231 C232 -40.8(6) . . . . ?
C24A P22 C231 C232 73.5(7) . . . . ?
Ru2 P22 C231 C232 -160.2(4) . . . . ?
C236 C231 C232 C233 59.1(8) . . . . ?
P22 C231 C232 C233 -171.5(6) . . . . ?
C231 C232 C233 C234 -58.7(10) . . . . ?
C232 C233 C234 C235 53.2(10) . . . . ?
C233 C234 C235 C236 -49.4(11) . . . . ?
C232 C231 C236 C235 -55.7(10) . . . . ?
P22 C231 C236 C235 173.2(7) . . . . ?
C234 C235 C236 C231 51.3(12) . . . . ?
C22 P22 C241 C242 163.2(12) . . . . ?
C231 P22 C241 C242 58.8(13) . . . . ?
C24A P22 C241 C242 -51.7(15) . . . . ?
Ru2 P22 C241 C242 -77.1(12) . . . . ?
C22 P22 C241 C246 -75.8(18) . . . . ?
C231 P22 C241 C246 179.9(18) . . . . ?
C24A P22 C241 C246 69.4(22) . . . . ?
Ru2 P22 C241 C246 43.9(20) . . . . ?
C246 C241 C242 C243 59.0(23) . . . . ?
P22 C241 C242 C243 -179.7(14) . . . . ?
C241 C242 C243 C244 -60.2(30) . . . . ?
C242 C243 C244 C245 56.9(33) . . . . ?
C243 C244 C245 C246 -55.5(31) . . . . ?
C242 C241 C246 C245 -56.6(30) . . . . ?
P22 C241 C246 C245 179.5(19) . . . . ?
C244 C245 C246 C241 56.0(32) . . . . ?
C241 P22 C24A C24F -88.1(23) . . . . ?
C22 P22 C24A C24F -51.2(17) . . . . ?
C231 P22 C24A C24F -162.6(16) . . . . ?
Ru2 P22 C24A C24F 72.3(17) . . . . ?
C241 P22 C24A C24B 40.5(16) . . . . ?
C22 P22 C24A C24B 77.4(12) . . . . ?
C231 P22 C24A C24B -34.0(13) . . . . ?
Ru2 P22 C24A C24B -159.1(11) . . . . ?
C24F C24A C24B C24C -56.3(22) . . . . ?
P22 C24A C24B C24C 172.7(14) . . . . ?
C24A C24B C24C C24D 56.9(29) . . . . ?
C24B C24C C24D C24E -55.9(32) . . . . ?
C24C C24D C24E C24F 54.6(27) . . . . ?
C24B C24A C24F C24E 56.8(26) . . . . ?
P22 C24A C24F C24E -172.4(15) . . . . ?
C24D C24E C24F C24A -55.5(27) . . . . ?
C331 B C311 C312 -33.0(7) . . . . ?
C321 B C311 C312 -154.2(6) . . . . ?
C341 B C311 C312 86.2(7) . . . . ?
C331 B C311 C316 151.2(5) . . . . ?
C321 B C311 C316 30.0(8) . . . . ?
C341 B C311 C316 -89.6(7) . . . . ?
C316 C311 C312 C313 1.2(10) . . . . ?
B C311 C312 C313 -175.0(7) . . . . ?
C311 C312 C313 C314 -1.0(12) . . . . ?
C312 C313 C314 C315 1.9(12) . . . . ?
C313 C314 C315 C316 -3.2(12) . . . . ?
C312 C311 C316 C315 -2.5(9) . . . . ?
B C311 C316 C315 173.6(6) . . . . ?
C314 C315 C316 C311 3.7(11) . . . . ?
C331 B C321 C322 -16.6(8) . . . . ?
C311 B C321 C322 103.6(7) . . . . ?
C341 B C321 C322 -136.4(6) . . . . ?
C331 B C321 C326 164.3(6) . . . . ?
C311 B C321 C326 -75.5(8) . . . . ?
C341 B C321 C326 44.6(8) . . . . ?
C326 C321 C322 C323 -0.6(9) . . . . ?
B C321 C322 C323 -179.7(6) . . . . ?
C321 C322 C323 C324 0.1(11) . . . . ?
C322 C323 C324 C325 0.2(12) . . . . ?
C323 C324 C325 C326 -0.1(13) . . . . ?
C324 C325 C326 C321 -0.3(13) . . . . ?
C322 C321 C326 C325 0.7(10) . . . . ?
B C321 C326 C325 179.8(7) . . . . ?
C311 B C331 C336 130.7(6) . . . . ?
C321 B C331 C336 -106.6(6) . . . . ?
C341 B C331 C336 12.1(8) . . . . ?
C311 B C331 C332 -51.9(7) . . . . ?
C321 B C331 C332 70.9(7) . . . . ?
C341 B C331 C332 -170.5(5) . . . . ?
C336 C331 C332 C333 -1.0(9) . . . . ?
B C331 C332 C333 -178.8(6) . . . . ?
C331 C332 C333 C334 -0.3(11) . . . . ?
C332 C333 C334 C335 0.6(12) . . . . ?
C333 C334 C335 C336 0.4(11) . . . . ?
C332 C331 C336 C335 2.1(9) . . . . ?
B C331 C336 C335 179.7(6) . . . . ?
C334 C335 C336 C331 -1.9(10) . . . . ?
C331 B C341 C342 105.3(6) . . . . ?
C311 B C341 C342 -12.7(8) . . . . ?
C321 B C341 C342 -134.9(6) . . . . ?
C331 B C341 C346 -73.6(7) . . . . ?
C311 B C341 C346 168.4(5) . . . . ?
C321 B C341 C346 46.2(7) . . . . ?
C346 C341 C342 C343 1.0(8) . . . . ?
B C341 C342 C343 -177.9(6) . . . . ?
C341 C342 C343 C344 0.3(9) . . . . ?
C342 C343 C344 C345 -1.5(9) . . . . ?
C343 C344 C345 C346 1.4(9) . . . . ?
C344 C345 C346 C341 -0.1(9) . . . . ?
C342 C341 C346 C345 -1.1(8) . . . . ?
B C341 C346 C345 177.9(5) . . . . ?
