#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:21:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179748 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/44/7004417.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_7004417
loop_
_publ_author_name
'Uddin, Md. Nazim'
'Begum, Noorjahan'
'Hassan, Mohammad R.'
'Hogarth, Graeme'
'Kabir, Shariff E.'
'Miah, Md. Arzu'
'Nordlander, Ebbe'
'Tocher, Derek A.'
_publ_section_title
;
 Reactivity of triruthenium thiophyne and furyne clusters: competitive
 S--C and P--C bond cleavage reactions and the generation of highly
 unsymmetrical alkyne ligands
;
_journal_issue                   44
_journal_name_full               'Dalton Transactions'
_journal_page_first              6219
_journal_page_last               6230
_journal_paper_doi               10.1039/b806846a
_journal_year                    2008
_chemical_formula_sum            'C40 H27 O9 P3 Ru3'
_chemical_formula_weight         1047.74
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 102.168(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.181(2)
_cell_length_b                   11.2861(12)
_cell_length_c                   19.761(2)
_cell_measurement_temperature    150(2)
_cell_volume                     3963.7(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.964
_diffrn_measurement_device_type  'Bruker SMART APEX CCD diffractometer'
_diffrn_measurement_method       'ω rotation with narrow frames'
_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  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0344
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            33672
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.29
_diffrn_reflns_theta_min         2.77
_exptl_absorpt_coefficient_mu    1.304
_exptl_absorpt_correction_T_max  0.9259
_exptl_absorpt_correction_T_min  0.5854
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.756
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2064
_exptl_crystal_size_max          0.46
_exptl_crystal_size_mid          0.24
_exptl_crystal_size_min          0.06
_refine_diff_density_max         0.900
_refine_diff_density_min         -0.719
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.025
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     496
_refine_ls_number_reflns         9487
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0342
_refine_ls_R_factor_gt           0.0290
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0347P)²+2.7965P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0687
_refine_ls_wR_factor_ref         0.0707
_reflns_number_gt                8416
_reflns_number_total             9487
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            b806846a.txt
_cod_data_source_block           str0551
_cod_original_cell_volume        3963.8(7)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7004417
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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
Ru1 Ru 0.173319(10) 0.079818(16) 0.074730(9) 0.01440(5) Uani 1 1 d . . .
Ru2 Ru 0.175524(11) -0.163921(16) 0.102498(9) 0.01667(5) Uani 1 1 d . . .
Ru3 Ru 0.320358(11) 0.066627(17) 0.044317(10) 0.01735(5) Uani 1 1 d . . .
P1 P 0.19669(3) 0.28199(5) 0.07314(3) 0.01650(12) Uani 1 1 d . . .
P2 P 0.36460(3) 0.25860(6) 0.08121(3) 0.01888(13) Uani 1 1 d . . .
P3 P 0.23005(4) -0.07561(5) 0.01982(3) 0.01732(12) Uani 1 1 d . . .
C1 C 0.09331(14) 0.0843(2) -0.00266(13) 0.0217(5) Uani 1 1 d . . .
C2 C 0.10679(14) 0.0966(2) 0.13752(13) 0.0219(5) Uani 1 1 d . . .
C3 C 0.23650(15) -0.2963(2) 0.13422(13) 0.0257(5) Uani 1 1 d . . .
C4 C 0.09747(15) -0.2459(2) 0.03583(13) 0.0242(5) Uani 1 1 d . . .
C5 C 0.10800(15) -0.1666(2) 0.16669(13) 0.0226(5) Uani 1 1 d . . .
C6 C 0.31529(16) 0.1032(2) -0.05223(14) 0.0274(6) Uani 1 1 d . . .
C7 C 0.41128(15) -0.0156(3) 0.05593(14) 0.0292(6) Uani 1 1 d . . .
O1 O 0.04386(11) 0.08162(18) -0.04932(10) 0.0354(5) Uani 1 1 d . . .
O2 O 0.06743(12) 0.10598(18) 0.17489(11) 0.0374(5) Uani 1 1 d . . .
O3 O 0.27621(13) -0.37211(18) 0.15534(12) 0.0447(6) Uani 1 1 d . . .
O4 O 0.05051(12) -0.2928(2) -0.00069(11) 0.0413(5) Uani 1 1 d . . .
O5 O 0.06593(12) -0.16713(18) 0.20160(10) 0.0357(5) Uani 1 1 d . . .
O6 O 0.31004(13) 0.1224(2) -0.10954(10) 0.0436(5) Uani 1 1 d . . .
O7 O 0.46416(13) -0.0733(2) 0.06212(13) 0.0491(6) Uani 1 1 d . . .
O8 O 0.33224(12) 0.10467(19) 0.20082(11) 0.0385(5) Uani 1 1 d . . .
O9 O 0.12611(11) -0.14876(17) -0.09404(9) 0.0280(4) Uani 1 1 d . . .
C8 C 0.29617(13) 0.0401(2) 0.14208(12) 0.0192(5) Uani 1 1 d . . .
C9 C 0.24613(13) -0.0412(2) 0.16294(11) 0.0178(5) Uani 1 1 d . . .
C10 C 0.25161(15) -0.0252(2) 0.23526(11) 0.0229(5) Uani 1 1 d . . .
H10A H 0.2242 -0.0667 0.2637 0.028 Uiso 1 1 calc R . .
C11 C 0.30423(18) 0.0617(3) 0.25577(14) 0.0366(7) Uani 1 1 d . . .
H11A H 0.3196 0.0890 0.3021 0.044 Uiso 1 1 calc R . .
C12 C 0.20073(15) -0.1214(2) -0.06878(12) 0.0223(5) Uani 1 1 d . . .
C13 C 0.24027(17) -0.1450(3) -0.11790(14) 0.0321(6) Uani 1 1 d . . .
H13A H 0.2929 -0.1346 -0.1139 0.039 Uiso 1 1 calc R . .
C14 C 0.18833(19) -0.1885(3) -0.17682(14) 0.0354(7) Uani 1 1 d . . .
H14A H 0.1995 -0.2125 -0.2196 0.042 Uiso 1 1 calc R . .
C15 C 0.12059(18) -0.1890(2) -0.16012(13) 0.0313(6) Uani 1 1 d . . .
H15A H 0.0752 -0.2139 -0.1900 0.038 Uiso 1 1 calc R . .
C16 C 0.29119(13) 0.3323(2) 0.11630(13) 0.0203(5) Uani 1 1 d . . .
H16A H 0.2949 0.4190 0.1103 0.024 Uiso 1 1 calc R . .
H16B H 0.2991 0.3156 0.1665 0.024 Uiso 1 1 calc R . .
C21 C 0.14044(14) 0.3684(2) 0.12272(13) 0.0210(5) Uani 1 1 d . . .
C22 C 0.15794(17) 0.3615(2) 0.19486(14) 0.0300(6) Uani 1 1 d . . .
H22A H 0.2001 0.3162 0.2174 0.036 Uiso 1 1 calc R . .
C23 C 0.11432(19) 0.4201(3) 0.23374(16) 0.0374(7) Uani 1 1 d . . .
H23A H 0.1268 0.4150 0.2828 0.045 Uiso 1 1 calc R . .
C24 C 0.05323(18) 0.4856(3) 0.20203(17) 0.0380(7) Uani 1 1 d . . .
H24A H 0.0234 0.5254 0.2290 0.046 Uiso 1 1 calc R . .
C25 C 0.03527(16) 0.4933(3) 0.13081(16) 0.0363(7) Uani 1 1 d . . .
H25A H -0.0068 0.5392 0.1088 0.044 Uiso 1 1 calc R . .
C26 C 0.07817(15) 0.4345(2) 0.09091(15) 0.0282(6) Uani 1 1 d . . .
H26A H 0.0650 0.4395 0.0419 0.034 Uiso 1 1 calc R . .
C31 C 0.18083(13) 0.3580(2) -0.01018(13) 0.0198(5) Uani 1 1 d . . .
C32 C 0.18377(15) 0.4819(2) -0.01198(14) 0.0259(5) Uani 1 1 d . . .
H32A H 0.1945 0.5254 0.0301 0.031 Uiso 1 1 calc R . .
C33 C 0.17112(17) 0.5419(3) -0.07463(15) 0.0326(6) Uani 1 1 d . . .
H33A H 0.1733 0.6260 -0.0753 0.039 Uiso 1 1 calc R . .
C34 C 0.15538(17) 0.4796(3) -0.13578(15) 0.0354(7) Uani 1 1 d . . .
H34A H 0.1454 0.5208 -0.1787 0.042 Uiso 1 1 calc R . .
C35 C 0.15401(18) 0.3572(3) -0.13499(14) 0.0353(7) Uani 1 1 d . . .
H35A H 0.1443 0.3144 -0.1773 0.042 Uiso 1 1 calc R . .
C36 C 0.16676(15) 0.2966(2) -0.07236(13) 0.0263(5) Uani 1 1 d . . .
H36A H 0.1658 0.2124 -0.0722 0.032 Uiso 1 1 calc R . .
C41 C 0.38773(14) 0.3583(2) 0.01564(13) 0.0246(5) Uani 1 1 d . . .
C42 C 0.36773(16) 0.4766(3) 0.01063(16) 0.0352(7) Uani 1 1 d . . .
H42A H 0.3401 0.5096 0.0419 0.042 Uiso 1 1 calc R . .
C43 C 0.38793(19) 0.5477(3) -0.04006(19) 0.0476(9) Uani 1 1 d . . .
H43A H 0.3734 0.6287 -0.0436 0.057 Uiso 1 1 calc R . .
C44 C 0.42876(19) 0.5017(4) -0.08499(16) 0.0481(9) Uani 1 1 d . . .
H44A H 0.4418 0.5504 -0.1199 0.058 Uiso 1 1 calc R . .
C45 C 0.45063(18) 0.3852(3) -0.07919(16) 0.0454(8) Uani 1 1 d . . .
H45A H 0.4801 0.3536 -0.1093 0.054 Uiso 1 1 calc R . .
C46 C 0.42983(16) 0.3132(3) -0.02934(15) 0.0339(6) Uani 1 1 d . . .
H46A H 0.4446 0.2323 -0.0261 0.041 Uiso 1 1 calc R . .
C51 C 0.44699(14) 0.2780(2) 0.15209(12) 0.0230(5) Uani 1 1 d . . .
C52 C 0.50769(17) 0.2020(3) 0.15859(18) 0.0409(7) Uani 1 1 d . . .
H52A H 0.5061 0.1385 0.1268 0.049 Uiso 1 1 calc R . .
C53 C 0.57069(18) 0.2174(3) 0.2110(2) 0.0519(9) Uani 1 1 d . . .
H53A H 0.6119 0.1643 0.2149 0.062 Uiso 1 1 calc R . .
C54 C 0.57413(18) 0.3090(3) 0.25759(17) 0.0450(8) Uani 1 1 d . . .
H54A H 0.6170 0.3184 0.2941 0.054 Uiso 1 1 calc R . .
C55 C 0.51485(18) 0.3864(3) 0.25054(17) 0.0462(8) Uani 1 1 d . . .
H55A H 0.5173 0.4511 0.2817 0.055 Uiso 1 1 calc R . .
C56 C 0.45166(17) 0.3712(3) 0.19859(16) 0.0390(7) Uani 1 1 d . . .
H56A H 0.4109 0.4253 0.1946 0.047 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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'
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
C1 Ru1 C2 92.20(11) . . ?
C1 Ru1 P1 94.32(7) . . ?
C2 Ru1 P1 93.11(7) . . ?
C1 Ru1 C9 145.78(9) . . ?
C2 Ru1 C9 84.95(9) . . ?
P1 Ru1 C9 119.86(6) . . ?
C1 Ru1 C8 158.81(9) . . ?
C2 Ru1 C8 107.54(10) . . ?
P1 Ru1 C8 92.26(6) . . ?
C9 Ru1 C8 34.46(8) . . ?
C1 Ru1 P3 89.10(8) . . ?
C2 Ru1 P3 138.85(7) . . ?
P1 Ru1 P3 127.81(2) . . ?
C9 Ru1 P3 71.78(6) . . ?
C8 Ru1 P3 71.05(6) . . ?
C1 Ru1 Ru2 99.35(7) . . ?
C2 Ru1 Ru2 87.42(7) . . ?
P1 Ru1 Ru2 166.293(18) . . ?
C9 Ru1 Ru2 46.52(6) . . ?
C8 Ru1 Ru2 74.57(6) . . ?
P3 Ru1 Ru2 51.916(16) . . ?
C1 Ru1 Ru3 115.33(8) . . ?
C2 Ru1 Ru3 152.30(8) . . ?
P1 Ru1 Ru3 82.340(16) . . ?
C9 Ru1 Ru3 74.02(6) . . ?
C8 Ru1 Ru3 45.81(6) . . ?
P3 Ru1 Ru3 50.201(16) . . ?
Ru2 Ru1 Ru3 90.836(7) . . ?
C3 Ru2 C5 100.28(11) . . ?
C3 Ru2 C4 98.14(11) . . ?
C5 Ru2 C4 87.92(11) . . ?
C3 Ru2 C9 95.04(10) . . ?
C5 Ru2 C9 91.94(10) . . ?
C4 Ru2 C9 166.63(10) . . ?
C3 Ru2 P3 105.49(9) . . ?
C5 Ru2 P3 153.35(7) . . ?
C4 Ru2 P3 94.96(8) . . ?
C9 Ru2 P3 79.30(7) . . ?
C3 Ru2 Ru1 145.58(8) . . ?
C5 Ru2 Ru1 99.11(7) . . ?
C4 Ru2 Ru1 110.74(8) . . ?
C9 Ru2 Ru1 56.09(6) . . ?
P3 Ru2 Ru1 55.138(16) . . ?
C7 Ru3 C6 94.82(12) . . ?
C7 Ru3 C8 99.70(11) . . ?
C6 Ru3 C8 164.96(11) . . ?
C7 Ru3 P3 104.84(9) . . ?
C6 Ru3 P3 93.34(8) . . ?
C8 Ru3 P3 79.21(7) . . ?
C7 Ru3 P2 100.49(9) . . ?
C6 Ru3 P2 92.92(8) . . ?
C8 Ru3 P2 88.30(7) . . ?
P3 Ru3 P2 153.26(2) . . ?
C7 Ru3 Ru1 147.26(9) . . ?
C6 Ru3 Ru1 110.07(8) . . ?
C8 Ru3 Ru1 55.00(6) . . ?
P3 Ru3 Ru1 54.380(17) . . ?
P2 Ru3 Ru1 99.152(17) . . ?
C31 P1 C21 103.41(11) . . ?
C31 P1 C16 103.18(11) . . ?
C21 P1 C16 99.17(11) . . ?
C31 P1 Ru1 118.64(8) . . ?
C21 P1 Ru1 112.95(8) . . ?
C16 P1 Ru1 116.90(8) . . ?
C16 P2 C41 106.48(12) . . ?
C16 P2 C51 101.53(11) . . ?
C41 P2 C51 101.21(11) . . ?
C16 P2 Ru3 107.73(8) . . ?
C41 P2 Ru3 117.24(9) . . ?
C51 P2 Ru3 120.85(9) . . ?
C12 P3 Ru3 117.62(9) . . ?
C12 P3 Ru2 118.84(9) . . ?
Ru3 P3 Ru2 123.54(3) . . ?
C12 P3 Ru1 125.62(9) . . ?
Ru3 P3 Ru1 75.42(2) . . ?
Ru2 P3 Ru1 72.946(19) . . ?
O1 C1 Ru1 176.9(2) . . ?
O2 C2 Ru1 179.7(3) . . ?
O3 C3 Ru2 176.3(2) . . ?
O4 C4 Ru2 177.1(2) . . ?
O5 C5 Ru2 176.8(2) . . ?
O6 C6 Ru3 177.6(3) . . ?
O7 C7 Ru3 175.1(3) . . ?
C11 O8 C8 106.3(2) . . ?
C15 O9 C12 106.8(2) . . ?
O8 C8 C9 108.2(2) . . ?
O8 C8 Ru3 122.34(17) . . ?
C9 C8 Ru3 129.47(17) . . ?
O8 C8 Ru1 125.44(16) . . ?
C9 C8 Ru1 72.58(13) . . ?
Ru3 C8 Ru1 79.19(8) . . ?
C8 C9 C10 107.3(2) . . ?
C8 C9 Ru2 128.38(17) . . ?
C10 C9 Ru2 124.34(18) . . ?
C8 C9 Ru1 72.96(13) . . ?
C10 C9 Ru1 124.89(16) . . ?
Ru2 C9 Ru1 77.40(7) . . ?
C11 C10 C9 106.5(2) . . ?
C10 C11 O8 111.7(2) . . ?
C13 C12 O9 109.1(2) . . ?
C13 C12 P3 131.6(2) . . ?
O9 C12 P3 119.01(18) . . ?
C12 C13 C14 107.1(3) . . ?
C15 C14 C13 106.6(2) . . ?
C14 C15 O9 110.3(2) . . ?
P2 C16 P1 111.65(12) . . ?
C26 C21 C22 118.7(2) . . ?
C26 C21 P1 122.3(2) . . ?
C22 C21 P1 118.8(2) . . ?
C23 C22 C21 120.4(3) . . ?
C24 C23 C22 120.5(3) . . ?
C23 C24 C25 119.7(3) . . ?
C24 C25 C26 120.6(3) . . ?
C25 C26 C21 120.0(3) . . ?
C36 C31 C32 118.5(2) . . ?
C36 C31 P1 121.96(19) . . ?
C32 C31 P1 119.51(19) . . ?
C33 C32 C31 120.7(3) . . ?
C34 C33 C32 120.0(3) . . ?
C33 C34 C35 120.1(3) . . ?
C34 C35 C36 120.1(3) . . ?
C31 C36 C35 120.5(3) . . ?
C42 C41 C46 118.8(3) . . ?
C42 C41 P2 123.3(2) . . ?
C46 C41 P2 117.9(2) . . ?
C41 C42 C43 120.2(3) . . ?
C44 C43 C42 120.6(3) . . ?
C45 C44 C43 119.6(3) . . ?
C44 C45 C46 120.2(3) . . ?
C41 C46 C45 120.6(3) . . ?
C52 C51 C56 118.2(3) . . ?
C52 C51 P2 120.3(2) . . ?
C56 C51 P2 121.5(2) . . ?
C51 C52 C53 120.7(3) . . ?
C54 C53 C52 120.6(3) . . ?
C55 C54 C53 119.1(3) . . ?
C54 C55 C56 120.6(3) . . ?
C55 C56 C51 120.8(3) . . ?
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 C1 1.876(3) . ?
Ru1 C2 1.916(2) . ?
Ru1 P1 2.3224(7) . ?
Ru1 C9 2.384(2) . ?
Ru1 C8 2.389(2) . ?
Ru1 P3 2.4063(6) . ?
Ru1 Ru2 2.8037(4) . ?
Ru1 Ru3 2.8648(4) . ?
Ru2 C3 1.887(3) . ?
Ru2 C5 1.943(3) . ?
Ru2 C4 1.954(3) . ?
Ru2 C9 2.085(2) . ?
Ru2 P3 2.3083(6) . ?
Ru3 C7 1.867(3) . ?
Ru3 C6 1.935(3) . ?
Ru3 C8 2.091(2) . ?
Ru3 P3 2.2743(7) . ?
Ru3 P2 2.3718(7) . ?
P1 C31 1.825(2) . ?
P1 C21 1.838(2) . ?
P1 C16 1.839(2) . ?
P2 C16 1.828(2) . ?
P2 C41 1.831(3) . ?
P2 C51 1.836(2) . ?
P3 C12 1.795(2) . ?
C1 O1 1.144(3) . ?
C2 O2 1.136(3) . ?
C3 O3 1.140(3) . ?
C4 O4 1.127(3) . ?
C5 O5 1.133(3) . ?
C6 O6 1.137(3) . ?
C7 O7 1.146(3) . ?
O8 C11 1.381(4) . ?
O8 C8 1.410(3) . ?
O9 C15 1.366(3) . ?
O9 C12 1.378(3) . ?
C8 C9 1.414(3) . ?
C9 C10 1.423(3) . ?
C10 C11 1.370(4) . ?
C12 C13 1.351(4) . ?
C13 C14 1.423(4) . ?
C14 C15 1.341(4) . ?
C21 C26 1.391(4) . ?
C21 C22 1.396(4) . ?
C22 C23 1.384(4) . ?
C23 C24 1.370(5) . ?
C24 C25 1.379(4) . ?
C25 C26 1.389(4) . ?
C31 C36 1.387(4) . ?
C31 C32 1.401(4) . ?
C32 C33 1.387(4) . ?
C33 C34 1.375(4) . ?
C34 C35 1.382(4) . ?
C35 C36 1.390(4) . ?
C41 C42 1.382(4) . ?
C41 C46 1.387(4) . ?
C42 C43 1.391(4) . ?
C43 C44 1.374(5) . ?
C44 C45 1.372(5) . ?
C45 C46 1.389(4) . ?
C51 C52 1.382(4) . ?
C51 C56 1.388(4) . ?
C52 C53 1.384(4) . ?
C53 C54 1.377(5) . ?
C54 C55 1.372(5) . ?
C55 C56 1.381(4) . ?
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
C1 Ru1 Ru2 C3 145.26(16) . . . . ?
C2 Ru1 Ru2 C3 -122.93(16) . . . . ?
P1 Ru1 Ru2 C3 -30.41(16) . . . . ?
C9 Ru1 Ru2 C3 -37.44(16) . . . . ?
C8 Ru1 Ru2 C3 -13.94(15) . . . . ?
P3 Ru1 Ru2 C3 63.84(14) . . . . ?
Ru3 Ru1 Ru2 C3 29.40(14) . . . . ?
C1 Ru1 Ru2 C5 -91.11(11) . . . . ?
C2 Ru1 Ru2 C5 0.70(11) . . . . ?
P1 Ru1 Ru2 C5 93.22(10) . . . . ?
C9 Ru1 Ru2 C5 86.19(11) . . . . ?
C8 Ru1 Ru2 C5 109.69(10) . . . . ?
P3 Ru1 Ru2 C5 -172.53(8) . . . . ?
Ru3 Ru1 Ru2 C5 153.04(7) . . . . ?
C1 Ru1 Ru2 C4 0.12(11) . . . . ?
C2 Ru1 Ru2 C4 91.92(11) . . . . ?
P1 Ru1 Ru2 C4 -175.56(11) . . . . ?
C9 Ru1 Ru2 C4 177.42(11) . . . . ?
C8 Ru1 Ru2 C4 -159.08(10) . . . . ?
P3 Ru1 Ru2 C4 -81.30(8) . . . . ?
Ru3 Ru1 Ru2 C4 -115.74(8) . . . . ?
C1 Ru1 Ru2 C9 -177.30(11) . . . . ?
C2 Ru1 Ru2 C9 -85.49(11) . . . . ?
P1 Ru1 Ru2 C9 7.03(11) . . . . ?
C8 Ru1 Ru2 C9 23.50(10) . . . . ?
P3 Ru1 Ru2 C9 101.28(8) . . . . ?
Ru3 Ru1 Ru2 C9 66.84(8) . . . . ?
C1 Ru1 Ru2 P3 81.42(8) . . . . ?
C2 Ru1 Ru2 P3 173.22(8) . . . . ?
P1 Ru1 Ru2 P3 -94.25(8) . . . . ?
C9 Ru1 Ru2 P3 -101.28(8) . . . . ?
C8 Ru1 Ru2 P3 -77.78(6) . . . . ?
Ru3 Ru1 Ru2 P3 -34.437(19) . . . . ?
C1 Ru1 Ru3 C7 -123.23(18) . . . . ?
C2 Ru1 Ru3 C7 63.6(2) . . . . ?
P1 Ru1 Ru3 C7 145.60(16) . . . . ?
C9 Ru1 Ru3 C7 21.47(17) . . . . ?
C8 Ru1 Ru3 C7 44.86(18) . . . . ?
P3 Ru1 Ru3 C7 -57.88(16) . . . . ?
Ru2 Ru1 Ru3 C7 -22.47(16) . . . . ?
C1 Ru1 Ru3 C6 13.97(12) . . . . ?
C2 Ru1 Ru3 C6 -159.24(17) . . . . ?
P1 Ru1 Ru3 C6 -77.20(9) . . . . ?
C9 Ru1 Ru3 C6 158.66(10) . . . . ?
C8 Ru1 Ru3 C6 -177.94(12) . . . . ?
P3 Ru1 Ru3 C6 79.32(9) . . . . ?
Ru2 Ru1 Ru3 C6 114.72(8) . . . . ?
C1 Ru1 Ru3 C8 -168.09(11) . . . . ?
C2 Ru1 Ru3 C8 18.70(18) . . . . ?
P1 Ru1 Ru3 C8 100.74(8) . . . . ?
C9 Ru1 Ru3 C8 -23.39(10) . . . . ?
P3 Ru1 Ru3 C8 -102.74(8) . . . . ?
Ru2 Ru1 Ru3 C8 -67.33(8) . . . . ?
C1 Ru1 Ru3 P3 -65.35(8) . . . . ?
C2 Ru1 Ru3 P3 121.44(16) . . . . ?
P1 Ru1 Ru3 P3 -156.52(2) . . . . ?
C9 Ru1 Ru3 P3 79.35(6) . . . . ?
C8 Ru1 Ru3 P3 102.74(8) . . . . ?
Ru2 Ru1 Ru3 P3 35.40(2) . . . . ?
C1 Ru1 Ru3 P2 110.50(8) . . . . ?
C2 Ru1 Ru3 P2 -62.71(16) . . . . ?
P1 Ru1 Ru3 P2 19.33(2) . . . . ?
C9 Ru1 Ru3 P2 -104.80(6) . . . . ?
C8 Ru1 Ru3 P2 -81.41(8) . . . . ?
P3 Ru1 Ru3 P2 175.85(3) . . . . ?
Ru2 Ru1 Ru3 P2 -148.742(17) . . . . ?
C1 Ru1 P1 C31 -33.21(12) . . . . ?
C2 Ru1 P1 C31 -125.65(12) . . . . ?
C9 Ru1 P1 C31 148.39(11) . . . . ?
C8 Ru1 P1 C31 126.64(10) . . . . ?
P3 Ru1 P1 C31 59.01(9) . . . . ?
Ru2 Ru1 P1 C31 142.51(10) . . . . ?
Ru3 Ru1 P1 C31 81.81(9) . . . . ?
C1 Ru1 P1 C21 88.01(12) . . . . ?
C2 Ru1 P1 C21 -4.44(12) . . . . ?
C9 Ru1 P1 C21 -90.40(11) . . . . ?
C8 Ru1 P1 C21 -112.15(11) . . . . ?
P3 Ru1 P1 C21 -179.78(9) . . . . ?
Ru2 Ru1 P1 C21 -96.28(11) . . . . ?
Ru3 Ru1 P1 C21 -156.98(9) . . . . ?
C1 Ru1 P1 C16 -157.85(12) . . . . ?
C2 Ru1 P1 C16 109.71(12) . . . . ?
C9 Ru1 P1 C16 23.74(11) . . . . ?
C8 Ru1 P1 C16 2.00(11) . . . . ?
P3 Ru1 P1 C16 -65.63(9) . . . . ?
Ru2 Ru1 P1 C16 17.87(13) . . . . ?
Ru3 Ru1 P1 C16 -42.84(9) . . . . ?
C7 Ru3 P2 C16 -151.35(12) . . . . ?
C6 Ru3 P2 C16 113.19(12) . . . . ?
C8 Ru3 P2 C16 -51.80(11) . . . . ?
P3 Ru3 P2 C16 9.83(11) . . . . ?
Ru1 Ru3 P2 C16 2.32(9) . . . . ?
C7 Ru3 P2 C41 88.67(13) . . . . ?
C6 Ru3 P2 C41 -6.78(13) . . . . ?
C8 Ru3 P2 C41 -171.78(12) . . . . ?
P3 Ru3 P2 C41 -110.14(11) . . . . ?
Ru1 Ru3 P2 C41 -117.65(10) . . . . ?
C7 Ru3 P2 C51 -35.54(13) . . . . ?
C6 Ru3 P2 C51 -130.99(13) . . . . ?
C8 Ru3 P2 C51 64.01(12) . . . . ?
P3 Ru3 P2 C51 125.64(10) . . . . ?
Ru1 Ru3 P2 C51 118.14(10) . . . . ?
C7 Ru3 P3 C12 -85.39(13) . . . . ?
C6 Ru3 P3 C12 10.49(13) . . . . ?
C8 Ru3 P3 C12 177.32(12) . . . . ?
P2 Ru3 P3 C12 113.76(10) . . . . ?
Ru1 Ru3 P3 C12 122.89(10) . . . . ?
C7 Ru3 P3 Ru2 94.13(9) . . . . ?
C6 Ru3 P3 Ru2 -169.98(9) . . . . ?
C8 Ru3 P3 Ru2 -3.16(7) . . . . ?
P2 Ru3 P3 Ru2 -66.72(6) . . . . ?
Ru1 Ru3 P3 Ru2 -57.59(3) . . . . ?
C7 Ru3 P3 Ru1 151.72(9) . . . . ?
C6 Ru3 P3 Ru1 -112.40(8) . . . . ?
C8 Ru3 P3 Ru1 54.43(7) . . . . ?
P2 Ru3 P3 Ru1 -9.13(6) . . . . ?
C3 Ru2 P3 C12 90.00(13) . . . . ?
C5 Ru2 P3 C12 -105.13(19) . . . . ?
C4 Ru2 P3 C12 -9.88(12) . . . . ?
C9 Ru2 P3 C12 -177.69(12) . . . . ?
Ru1 Ru2 P3 C12 -121.77(10) . . . . ?
C3 Ru2 P3 Ru3 -89.52(8) . . . . ?
C5 Ru2 P3 Ru3 75.35(17) . . . . ?
C4 Ru2 P3 Ru3 170.61(8) . . . . ?
C9 Ru2 P3 Ru3 2.79(7) . . . . ?
Ru1 Ru2 P3 Ru3 58.71(3) . . . . ?
C3 Ru2 P3 Ru1 -148.23(8) . . . . ?
C5 Ru2 P3 Ru1 16.64(17) . . . . ?
C4 Ru2 P3 Ru1 111.89(8) . . . . ?
C9 Ru2 P3 Ru1 -55.92(6) . . . . ?
C1 Ru1 P3 C12 11.00(13) . . . . ?
C2 Ru1 P3 C12 103.31(16) . . . . ?
P1 Ru1 P3 C12 -83.77(11) . . . . ?
C9 Ru1 P3 C12 162.15(12) . . . . ?
C8 Ru1 P3 C12 -161.44(12) . . . . ?
Ru2 Ru1 P3 C12 113.63(11) . . . . ?
Ru3 Ru1 P3 C12 -113.76(11) . . . . ?
C1 Ru1 P3 Ru3 124.76(8) . . . . ?
C2 Ru1 P3 Ru3 -142.93(12) . . . . ?
P1 Ru1 P3 Ru3 29.98(3) . . . . ?
C9 Ru1 P3 Ru3 -84.10(6) . . . . ?
C8 Ru1 P3 Ru3 -47.69(6) . . . . ?
Ru2 Ru1 P3 Ru3 -132.61(2) . . . . ?
C1 Ru1 P3 Ru2 -102.63(8) . . . . ?
C2 Ru1 P3 Ru2 -10.32(12) . . . . ?
P1 Ru1 P3 Ru2 162.60(2) . . . . ?
C9 Ru1 P3 Ru2 48.52(6) . . . . ?
C8 Ru1 P3 Ru2 84.93(6) . . . . ?
Ru3 Ru1 P3 Ru2 132.61(2) . . . . ?
C2 Ru1 C1 O1 -80(4) . . . . ?
P1 Ru1 C1 O1 -173(4) . . . . ?
C9 Ru1 C1 O1 5(4) . . . . ?
C8 Ru1 C1 O1 79(4) . . . . ?
P3 Ru1 C1 O1 59(4) . . . . ?
Ru2 Ru1 C1 O1 8(4) . . . . ?
Ru3 Ru1 C1 O1 103(4) . . . . ?
C1 Ru1 C2 O2 117(58) . . . . ?
P1 Ru1 C2 O2 -149(100) . . . . ?
C9 Ru1 C2 O2 -29(58) . . . . ?
C8 Ru1 C2 O2 -55(58) . . . . ?
P3 Ru1 C2 O2 26(58) . . . . ?
Ru2 Ru1 C2 O2 18(58) . . . . ?
Ru3 Ru1 C2 O2 -69(58) . . . . ?
C5 Ru2 C3 O3 -99(4) . . . . ?
C4 Ru2 C3 O3 172(4) . . . . ?
C9 Ru2 C3 O3 -6(4) . . . . ?
P3 Ru2 C3 O3 75(4) . . . . ?
Ru1 Ru2 C3 O3 25(4) . . . . ?
C3 Ru2 C4 O4 104(5) . . . . ?
C5 Ru2 C4 O4 3(5) . . . . ?
C9 Ru2 C4 O4 -86(5) . . . . ?
P3 Ru2 C4 O4 -150(5) . . . . ?
Ru1 Ru2 C4 O4 -96(5) . . . . ?
C3 Ru2 C5 O5 -137(4) . . . . ?
C4 Ru2 C5 O5 -39(4) . . . . ?
C9 Ru2 C5 O5 127(4) . . . . ?
P3 Ru2 C5 O5 58(4) . . . . ?
Ru1 Ru2 C5 O5 71(4) . . . . ?
C7 Ru3 C6 O6 118(7) . . . . ?
C8 Ru3 C6 O6 -47(7) . . . . ?
P3 Ru3 C6 O6 12(7) . . . . ?
P2 Ru3 C6 O6 -141(7) . . . . ?
Ru1 Ru3 C6 O6 -41(7) . . . . ?
C6 Ru3 C7 O7 -95(3) . . . . ?
C8 Ru3 C7 O7 81(3) . . . . ?
P3 Ru3 C7 O7 0(3) . . . . ?
P2 Ru3 C7 O7 171(3) . . . . ?
Ru1 Ru3 C7 O7 45(3) . . . . ?
C11 O8 C8 C9 0.3(3) . . . . ?
C11 O8 C8 Ru3 -178.24(18) . . . . ?
C11 O8 C8 Ru1 81.5(2) . . . . ?
C7 Ru3 C8 O8 77.5(2) . . . . ?
C6 Ru3 C8 O8 -117.8(4) . . . . ?
P3 Ru3 C8 O8 -179.1(2) . . . . ?
P2 Ru3 C8 O8 -22.88(18) . . . . ?
Ru1 Ru3 C8 O8 -125.3(2) . . . . ?
C7 Ru3 C8 C9 -100.7(2) . . . . ?
C6 Ru3 C8 C9 64.0(5) . . . . ?
P3 Ru3 C8 C9 2.7(2) . . . . ?
P2 Ru3 C8 C9 158.9(2) . . . . ?
Ru1 Ru3 C8 C9 56.5(2) . . . . ?
C7 Ru3 C8 Ru1 -157.23(10) . . . . ?
C6 Ru3 C8 Ru1 7.5(4) . . . . ?
P3 Ru3 C8 Ru1 -53.82(4) . . . . ?
P2 Ru3 C8 Ru1 102.41(5) . . . . ?
C1 Ru1 C8 O8 153.2(2) . . . . ?
C2 Ru1 C8 O8 -48.8(2) . . . . ?
P1 Ru1 C8 O8 45.1(2) . . . . ?
C9 Ru1 C8 O8 -100.2(2) . . . . ?
P3 Ru1 C8 O8 174.6(2) . . . . ?
Ru2 Ru1 C8 O8 -131.0(2) . . . . ?
Ru3 Ru1 C8 O8 122.2(2) . . . . ?
C1 Ru1 C8 C9 -106.5(3) . . . . ?
C2 Ru1 C8 C9 51.42(15) . . . . ?
P1 Ru1 C8 C9 145.39(13) . . . . ?
P3 Ru1 C8 C9 -85.18(13) . . . . ?
Ru2 Ru1 C8 C9 -30.75(12) . . . . ?
Ru3 Ru1 C8 C9 -137.58(16) . . . . ?
C1 Ru1 C8 Ru3 31.1(3) . . . . ?
C2 Ru1 C8 Ru3 -171.01(9) . . . . ?
P1 Ru1 C8 Ru3 -77.03(6) . . . . ?
C9 Ru1 C8 Ru3 137.58(16) . . . . ?
P3 Ru1 C8 Ru3 52.40(5) . . . . ?
Ru2 Ru1 C8 Ru3 106.83(6) . . . . ?
O8 C8 C9 C10 0.4(3) . . . . ?
Ru3 C8 C9 C10 178.78(17) . . . . ?
Ru1 C8 C9 C10 -122.09(18) . . . . ?
O8 C8 C9 Ru2 -179.81(16) . . . . ?
Ru3 C8 C9 Ru2 -1.4(3) . . . . ?
Ru1 C8 C9 Ru2 57.74(17) . . . . ?
O8 C8 C9 Ru1 122.46(18) . . . . ?
Ru3 C8 C9 Ru1 -59.13(18) . . . . ?
C3 Ru2 C9 C8 103.9(2) . . . . ?
C5 Ru2 C9 C8 -155.6(2) . . . . ?
C4 Ru2 C9 C8 -66.4(5) . . . . ?
P3 Ru2 C9 C8 -1.0(2) . . . . ?
Ru1 Ru2 C9 C8 -55.94(19) . . . . ?
C3 Ru2 C9 C10 -76.3(2) . . . . ?
C5 Ru2 C9 C10 24.2(2) . . . . ?
C4 Ru2 C9 C10 113.4(4) . . . . ?
P3 Ru2 C9 C10 178.8(2) . . . . ?
Ru1 Ru2 C9 C10 123.9(2) . . . . ?
C3 Ru2 C9 Ru1 159.82(9) . . . . ?
C5 Ru2 C9 Ru1 -99.68(8) . . . . ?
C4 Ru2 C9 Ru1 -10.5(5) . . . . ?
P3 Ru2 C9 Ru1 54.98(4) . . . . ?
C1 Ru1 C9 C8 141.95(18) . . . . ?
C2 Ru1 C9 C8 -131.56(15) . . . . ?
P1 Ru1 C9 C8 -40.87(15) . . . . ?
P3 Ru1 C9 C8 82.86(13) . . . . ?
Ru2 Ru1 C9 C8 137.21(16) . . . . ?
Ru3 Ru1 C9 C8 30.21(12) . . . . ?
C1 Ru1 C9 C10 -118.5(2) . . . . ?
C2 Ru1 C9 C10 -32.1(2) . . . . ?
P1 Ru1 C9 C10 58.6(2) . . . . ?
C8 Ru1 C9 C10 99.5(3) . . . . ?
P3 Ru1 C9 C10 -177.6(2) . . . . ?
Ru2 Ru1 C9 C10 -123.3(2) . . . . ?
Ru3 Ru1 C9 C10 129.7(2) . . . . ?
C1 Ru1 C9 Ru2 4.74(19) . . . . ?
C2 Ru1 C9 Ru2 91.23(9) . . . . ?
P1 Ru1 C9 Ru2 -178.08(3) . . . . ?
C8 Ru1 C9 Ru2 -137.21(16) . . . . ?
P3 Ru1 C9 Ru2 -54.36(5) . . . . ?
Ru3 Ru1 C9 Ru2 -107.01(6) . . . . ?
C8 C9 C10 C11 -0.9(3) . . . . ?
Ru2 C9 C10 C11 179.26(18) . . . . ?
Ru1 C9 C10 C11 -81.9(3) . . . . ?
C9 C10 C11 O8 1.1(3) . . . . ?
C8 O8 C11 C10 -0.9(3) . . . . ?
C15 O9 C12 C13 -0.4(3) . . . . ?
C15 O9 C12 P3 -175.46(18) . . . . ?
Ru3 P3 C12 C13 42.9(3) . . . . ?
Ru2 P3 C12 C13 -136.7(2) . . . . ?
Ru1 P3 C12 C13 134.3(2) . . . . ?
Ru3 P3 C12 O9 -143.35(16) . . . . ?
Ru2 P3 C12 O9 37.1(2) . . . . ?
Ru1 P3 C12 O9 -51.9(2) . . . . ?
O9 C12 C13 C14 0.3(3) . . . . ?
P3 C12 C13 C14 174.5(2) . . . . ?
C12 C13 C14 C15 -0.1(3) . . . . ?
C13 C14 C15 O9 -0.1(3) . . . . ?
C12 O9 C15 C14 0.3(3) . . . . ?
C41 P2 C16 P1 95.68(14) . . . . ?
C51 P2 C16 P1 -158.81(13) . . . . ?
Ru3 P2 C16 P1 -30.88(14) . . . . ?
C31 P1 C16 P2 -75.70(15) . . . . ?
C21 P1 C16 P2 178.10(13) . . . . ?
Ru1 P1 C16 P2 56.43(14) . . . . ?
C31 P1 C21 C26 25.3(2) . . . . ?
C16 P1 C21 C26 131.3(2) . . . . ?
Ru1 P1 C21 C26 -104.2(2) . . . . ?
C31 P1 C21 C22 -158.8(2) . . . . ?
C16 P1 C21 C22 -52.8(2) . . . . ?
Ru1 P1 C21 C22 71.7(2) . . . . ?
C26 C21 C22 C23 -0.5(4) . . . . ?
P1 C21 C22 C23 -176.5(2) . . . . ?
C21 C22 C23 C24 0.2(5) . . . . ?
C22 C23 C24 C25 -0.2(5) . . . . ?
C23 C24 C25 C26 0.6(5) . . . . ?
C24 C25 C26 C21 -0.9(4) . . . . ?
C22 C21 C26 C25 0.8(4) . . . . ?
P1 C21 C26 C25 176.7(2) . . . . ?
C21 P1 C31 C36 -136.2(2) . . . . ?
C16 P1 C31 C36 120.9(2) . . . . ?
Ru1 P1 C31 C36 -10.2(2) . . . . ?
C21 P1 C31 C32 44.7(2) . . . . ?
C16 P1 C31 C32 -58.3(2) . . . . ?
Ru1 P1 C31 C32 170.62(16) . . . . ?
C36 C31 C32 C33 1.5(4) . . . . ?
P1 C31 C32 C33 -179.3(2) . . . . ?
C31 C32 C33 C34 0.1(4) . . . . ?
C32 C33 C34 C35 -1.7(5) . . . . ?
C33 C34 C35 C36 1.6(5) . . . . ?
C32 C31 C36 C35 -1.6(4) . . . . ?
P1 C31 C36 C35 179.2(2) . . . . ?
C34 C35 C36 C31 0.1(4) . . . . ?
C16 P2 C41 C42 16.2(3) . . . . ?
C51 P2 C41 C42 -89.5(2) . . . . ?
Ru3 P2 C41 C42 136.9(2) . . . . ?
C16 P2 C41 C46 -166.3(2) . . . . ?
C51 P2 C41 C46 88.0(2) . . . . ?
Ru3 P2 C41 C46 -45.6(2) . . . . ?
C46 C41 C42 C43 1.8(4) . . . . ?
P2 C41 C42 C43 179.3(2) . . . . ?
C41 C42 C43 C44 -0.9(5) . . . . ?
C42 C43 C44 C45 -0.9(5) . . . . ?
C43 C44 C45 C46 1.7(5) . . . . ?
C42 C41 C46 C45 -0.9(4) . . . . ?
P2 C41 C46 C45 -178.5(2) . . . . ?
C44 C45 C46 C41 -0.9(4) . . . . ?
C16 P2 C51 C52 156.9(2) . . . . ?
C41 P2 C51 C52 -93.5(2) . . . . ?
Ru3 P2 C51 C52 38.0(3) . . . . ?
C16 P2 C51 C56 -25.8(3) . . . . ?
C41 P2 C51 C56 83.8(3) . . . . ?
Ru3 P2 C51 C56 -144.7(2) . . . . ?
C56 C51 C52 C53 1.3(5) . . . . ?
P2 C51 C52 C53 178.7(3) . . . . ?
C51 C52 C53 C54 -0.2(5) . . . . ?
C52 C53 C54 C55 -1.3(5) . . . . ?
C53 C54 C55 C56 1.6(5) . . . . ?
C54 C55 C56 C51 -0.5(5) . . . . ?
C52 C51 C56 C55 -1.0(5) . . . . ?
P2 C51 C56 C55 -178.3(3) . . . . ?
