#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:38:40 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179387 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/84/4328424.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_4328424
loop_
_publ_author_name
'Javier A. Cabeza'
'Pablo García-Álvarez'
'Diego Polo'
_publ_section_title
;
 Synthesis of Mixed Tin-Ruthenium and Tin-Germanium-Ruthenium Carbonyl
 Clusters from [Ru3(CO)12] and Diaminometalenes (M = Sn, Ge)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2569
_journal_page_last               2576
_journal_paper_doi               10.1021/ic202532u
_journal_volume                  51
_journal_year                    2012
_chemical_formula_moiety         'C49 H98 Ge N6 O9 Ru3 Si8 Sn2, 0.5(C6 H14)'
_chemical_formula_sum            'C52 H105 Ge N6 O9 Ru3 Si8 Sn2'
_chemical_formula_weight         1796.32
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.017(2)
_cell_angle_beta                 93.241(2)
_cell_angle_gamma                94.865(2)
_cell_formula_units_Z            2
_cell_length_a                   11.7533(3)
_cell_length_b                   14.3899(4)
_cell_length_c                   23.7850(6)
_cell_measurement_reflns_used    16917
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      73.7992
_cell_measurement_theta_min      3.1792
_cell_volume                     3876.51(18)
_computing_cell_refinement
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
;
_computing_data_collection
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
;
_computing_data_reduction
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
;
_computing_molecular_graphics    'PLATON (Spek, 2008)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.981
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54180
_diffrn_reflns_av_R_equivalents  0.0564
_diffrn_reflns_av_sigmaI/netI    0.0630
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            26287
_diffrn_reflns_theta_full        67.49
_diffrn_reflns_theta_max         67.49
_diffrn_reflns_theta_min         3.18
_exptl_absorpt_coefficient_mu    11.669
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.43630
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Oxford Diffraction Ltd.,
Version 1.171.34.36 (release 02-08-2010 CrysAlis171 .NET)
(compiled Aug  2 2010,13:00:58)
empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            dark-green
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_description       fragment
_exptl_crystal_F_000             1814
_exptl_crystal_size_max          0.1102
_exptl_crystal_size_mid          0.0741
_exptl_crystal_size_min          0.0457
_refine_diff_density_max         1.240
_refine_diff_density_min         -1.542
_refine_diff_density_rms         0.146
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.005
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     761
_refine_ls_number_reflns         13691
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0397
_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)+(0.0512P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0962
_refine_ls_wR_factor_ref         0.1010
_reflns_number_gt                11767
_reflns_number_total             13691
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic202532u_si_001.cif
_cod_data_source_block           dp81
_cod_database_code               4328424
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.0305(4) 0.6170(4) 0.0779(2) 0.0206(10) Uani 1 1 d .
H1A H -0.0001 0.5903 0.1093 0.025 Uiso 1 1 calc R
H1B H 0.0096 0.5680 0.0408 0.025 Uiso 1 1 calc R
C2 C -0.0306(4) 0.7075(4) 0.0756(2) 0.0236(10) Uani 1 1 d .
C3 C -0.1598(5) 0.6765(4) 0.0748(3) 0.0388(14) Uani 1 1 d .
H3A H -0.2034 0.7308 0.0725 0.058 Uiso 1 1 calc R
H3B H -0.1751 0.6564 0.1104 0.058 Uiso 1 1 calc R
H3C H -0.1830 0.6226 0.0409 0.058 Uiso 1 1 calc R
C4 C 0.0055(5) 0.7893(4) 0.1296(2) 0.0326(12) Uani 1 1 d .
H4A H 0.0879 0.8084 0.1307 0.049 Uiso 1 1 calc R
H4B H -0.0111 0.7675 0.1645 0.049 Uiso 1 1 calc R
H4C H -0.0370 0.8445 0.1281 0.049 Uiso 1 1 calc R
C5 C -0.0103(6) 0.7418(5) 0.0211(3) 0.0426(16) Uani 1 1 d .
H5A H -0.0506 0.7989 0.0218 0.064 Uiso 1 1 calc R
H5B H -0.0392 0.6906 -0.0133 0.064 Uiso 1 1 calc R
H5C H 0.0720 0.7580 0.0196 0.064 Uiso 1 1 calc R
C6 C 0.2273(4) 0.6240(4) 0.0416(2) 0.0212(10) Uani 1 1 d .
C7 C 0.1929(5) 0.6000(4) -0.0170(2) 0.0257(11) Uani 1 1 d .
H7 H 0.1137 0.5897 -0.0296 0.031 Uiso 1 1 calc R
C8 C 0.2747(5) 0.5909(4) -0.0577(2) 0.0316(12) Uani 1 1 d .
H8 H 0.2511 0.5742 -0.0980 0.038 Uiso 1 1 calc R
C9 C 0.3903(5) 0.6060(4) -0.0394(2) 0.0327(13) Uani 1 1 d .
H9 H 0.4454 0.5996 -0.0675 0.039 Uiso 1 1 calc R
C10 C 0.4263(4) 0.6306(4) 0.0193(2) 0.0270(11) Uani 1 1 d .
H10 H 0.5058 0.6407 0.0314 0.032 Uiso 1 1 calc R
C11 C 0.3463(4) 0.6404(4) 0.0605(2) 0.0216(10) Uani 1 1 d .
C12 C 0.4837(4) 0.6860(4) 0.1497(2) 0.0219(10) Uani 1 1 d .
H12A H 0.5376 0.6510 0.1239 0.026 Uiso 1 1 calc R
H12B H 0.4865 0.6629 0.1857 0.026 Uiso 1 1 calc R
C13 C 0.5269(4) 0.7949(4) 0.1659(2) 0.0269(11) Uani 1 1 d .
C14 C 0.4430(5) 0.8536(4) 0.2016(2) 0.0317(12) Uani 1 1 d .
H14A H 0.4739 0.9215 0.2131 0.048 Uiso 1 1 calc R
H14B H 0.4308 0.8303 0.2365 0.048 Uiso 1 1 calc R
H14C H 0.3699 0.8470 0.1784 0.048 Uiso 1 1 calc R
C15 C 0.6417(5) 0.8065(5) 0.2024(3) 0.0387(14) Uani 1 1 d .
H15A H 0.6734 0.8742 0.2122 0.058 Uiso 1 1 calc R
H15B H 0.6954 0.7668 0.1800 0.058 Uiso 1 1 calc R
H15C H 0.6296 0.7860 0.2381 0.058 Uiso 1 1 calc R
C16 C 0.5456(5) 0.8324(4) 0.1116(3) 0.0346(13) Uani 1 1 d .
H16A H 0.4734 0.8221 0.0872 0.052 Uiso 1 1 calc R
H16B H 0.6036 0.7975 0.0896 0.052 Uiso 1 1 calc R
H16C H 0.5717 0.9013 0.1233 0.052 Uiso 1 1 calc R
C17 C -0.0779(5) 0.0583(4) 0.2217(3) 0.0328(12) Uani 1 1 d .
H17A H -0.0718 0.0167 0.1829 0.049 Uiso 1 1 calc R
H17B H -0.1557 0.0481 0.2333 0.049 Uiso 1 1 calc R
H17C H -0.0229 0.0427 0.2497 0.049 Uiso 1 1 calc R
C18 C -0.0781(4) 0.2517(4) 0.2951(2) 0.0241(10) Uani 1 1 d .
H18A H -0.0329 0.2285 0.3238 0.036 Uiso 1 1 calc R
H18B H -0.1598 0.2390 0.2997 0.036 Uiso 1 1 calc R
H18C H -0.0583 0.3211 0.3010 0.036 Uiso 1 1 calc R
C19 C -0.1554(4) 0.2181(4) 0.1686(2) 0.0277(11) Uani 1 1 d .
H19A H -0.1455 0.2874 0.1712 0.042 Uiso 1 1 calc R
H19B H -0.2324 0.2003 0.1788 0.042 Uiso 1 1 calc R
H19C H -0.1455 0.1824 0.1288 0.042 Uiso 1 1 calc R
C20 C 0.0161(5) 0.0649(4) 0.0853(2) 0.0304(12) Uani 1 1 d .
H20A H -0.0467 0.0379 0.1037 0.046 Uiso 1 1 calc R
H20B H 0.0440 0.0134 0.0560 0.046 Uiso 1 1 calc R
H20C H -0.0115 0.1134 0.0667 0.046 Uiso 1 1 calc R
C21 C 0.2398(5) 0.1774(4) 0.0999(2) 0.0293(11) Uani 1 1 d .
H21A H 0.2036 0.2250 0.0835 0.044 Uiso 1 1 calc R
H21B H 0.2634 0.1271 0.0683 0.044 Uiso 1 1 calc R
H21C H 0.3070 0.2090 0.1258 0.044 Uiso 1 1 calc R
C22 C 0.2037(5) 0.0261(4) 0.1680(2) 0.0288(11) Uani 1 1 d .
H22A H 0.2689 0.0554 0.1960 0.043 Uiso 1 1 calc R
H22B H 0.2304 -0.0195 0.1350 0.043 Uiso 1 1 calc R
H22C H 0.1475 -0.0079 0.1868 0.043 Uiso 1 1 calc R
C23 C 0.5061(4) 0.3058(4) 0.1642(2) 0.0247(11) Uani 1 1 d .
H23A H 0.5088 0.2531 0.1294 0.037 Uiso 1 1 calc R
H23B H 0.5772 0.3490 0.1701 0.037 Uiso 1 1 calc R
H23C H 0.4408 0.3418 0.1589 0.037 Uiso 1 1 calc R
C24 C 0.5250(5) 0.1274(4) 0.2010(2) 0.0319(12) Uani 1 1 d .
H24A H 0.5308 0.0959 0.2332 0.048 Uiso 1 1 calc R
H24B H 0.5983 0.1281 0.1833 0.048 Uiso 1 1 calc R
H24C H 0.4645 0.0919 0.1718 0.048 Uiso 1 1 calc R
C25 C 0.6045(4) 0.3229(4) 0.2859(2) 0.0281(11) Uani 1 1 d .
H25A H 0.5856 0.3890 0.3006 0.042 Uiso 1 1 calc R
H25B H 0.6781 0.3240 0.2685 0.042 Uiso 1 1 calc R
H25C H 0.6099 0.2914 0.3180 0.042 Uiso 1 1 calc R
C26 C 0.4383(5) 0.1211(4) 0.3294(2) 0.0292(12) Uani 1 1 d .
H26A H 0.4143 0.0646 0.2973 0.044 Uiso 1 1 calc R
H26B H 0.4292 0.1041 0.3665 0.044 Uiso 1 1 calc R
H26C H 0.5188 0.1429 0.3272 0.044 Uiso 1 1 calc R
C27 C 0.1979(4) 0.1703(4) 0.3311(2) 0.0261(11) Uani 1 1 d .
H27A H 0.1463 0.2209 0.3335 0.039 Uiso 1 1 calc R
H27B H 0.1963 0.1465 0.3663 0.039 Uiso 1 1 calc R
H27C H 0.1731 0.1172 0.2970 0.039 Uiso 1 1 calc R
C28 C 0.3911(4) 0.3193(4) 0.3910(2) 0.0246(11) Uani 1 1 d .
H28A H 0.4668 0.3504 0.3873 0.037 Uiso 1 1 calc R
H28B H 0.3944 0.2923 0.4251 0.037 Uiso 1 1 calc R
H28C H 0.3352 0.3669 0.3957 0.037 Uiso 1 1 calc R
C29 C -0.1503(4) 0.5117(3) 0.3771(2) 0.0239(10) Uani 1 1 d .
H29A H -0.1762 0.4818 0.3363 0.036 Uiso 1 1 calc R
H29B H -0.1990 0.4844 0.4024 0.036 Uiso 1 1 calc R
H29C H -0.0708 0.4995 0.3846 0.036 Uiso 1 1 calc R
C30 C -0.2829(4) 0.6567(4) 0.3418(2) 0.0297(12) Uani 1 1 d .
H30A H -0.3037 0.7229 0.3521 0.045 Uiso 1 1 calc R
H30B H -0.3486 0.6123 0.3451 0.045 Uiso 1 1 calc R
H30C H -0.2607 0.6412 0.3017 0.045 Uiso 1 1 calc R
C31 C -0.2018(4) 0.6789(4) 0.4692(2) 0.0271(11) Uani 1 1 d .
H31A H -0.1447 0.6605 0.4951 0.041 Uiso 1 1 calc R
H31B H -0.2769 0.6454 0.4715 0.041 Uiso 1 1 calc R
H31C H -0.2058 0.7486 0.4812 0.041 Uiso 1 1 calc R
C32 C -0.1610(5) 0.8885(4) 0.4314(3) 0.0347(13) Uani 1 1 d .
H32A H -0.2357 0.8505 0.4205 0.052 Uiso 1 1 calc R
H32B H -0.1678 0.9547 0.4287 0.052 Uiso 1 1 calc R
H32C H -0.1353 0.8886 0.4713 0.052 Uiso 1 1 calc R
C33 C 0.0804(4) 0.9163(4) 0.4035(2) 0.0269(11) Uani 1 1 d .
H33A H 0.1098 0.9130 0.4423 0.040 Uiso 1 1 calc R
H33B H 0.0646 0.9824 0.4045 0.040 Uiso 1 1 calc R
H33C H 0.1377 0.8968 0.3757 0.040 Uiso 1 1 calc R
C34 C -0.1054(5) 0.8447(4) 0.3067(2) 0.0305(12) Uani 1 1 d .
H34A H -0.0445 0.8311 0.2804 0.046 Uiso 1 1 calc R
H34B H -0.1258 0.9102 0.3093 0.046 Uiso 1 1 calc R
H34C H -0.1729 0.7985 0.2919 0.046 Uiso 1 1 calc R
C35 C 0.0921(4) 0.6001(3) 0.48964(19) 0.0213(10) Uani 1 1 d .
H35A H 0.0310 0.5964 0.4592 0.032 Uiso 1 1 calc R
H35B H 0.0582 0.5926 0.5252 0.032 Uiso 1 1 calc R
H35C H 0.1413 0.5486 0.4768 0.032 Uiso 1 1 calc R
C36 C 0.2974(5) 0.7054(4) 0.5575(2) 0.0306(12) Uani 1 1 d .
H36A H 0.3369 0.6494 0.5403 0.046 Uiso 1 1 calc R
H36B H 0.2651 0.6965 0.5932 0.046 Uiso 1 1 calc R
H36C H 0.3518 0.7635 0.5668 0.046 Uiso 1 1 calc R
C37 C 0.0884(5) 0.8124(4) 0.5417(2) 0.0305(12) Uani 1 1 d .
H37A H 0.1341 0.8752 0.5529 0.046 Uiso 1 1 calc R
H37B H 0.0611 0.7956 0.5765 0.046 Uiso 1 1 calc R
H37C H 0.0226 0.8155 0.5152 0.046 Uiso 1 1 calc R
C38 C 0.4851(4) 0.7569(4) 0.4538(2) 0.0263(11) Uani 1 1 d .
H38A H 0.4779 0.7200 0.4833 0.039 Uiso 1 1 calc R
H38B H 0.5525 0.8043 0.4647 0.039 Uiso 1 1 calc R
H38C H 0.4937 0.7131 0.4161 0.039 Uiso 1 1 calc R
C39 C 0.3714(4) 0.8886(4) 0.3913(2) 0.0229(10) Uani 1 1 d .
H39A H 0.3303 0.8513 0.3547 0.034 Uiso 1 1 calc R
H39B H 0.4530 0.8992 0.3857 0.034 Uiso 1 1 calc R
H39C H 0.3404 0.9508 0.4035 0.034 Uiso 1 1 calc R
C40 C 0.3572(4) 0.9205(4) 0.5170(2) 0.0292(11) Uani 1 1 d .
H40A H 0.3011 0.9650 0.5117 0.044 Uiso 1 1 calc R
H40B H 0.4340 0.9554 0.5251 0.044 Uiso 1 1 calc R
H40C H 0.3385 0.8932 0.5497 0.044 Uiso 1 1 calc R
C41 C 0.4409(6) 0.9886(5) 0.0082(3) 0.0467(16) Uani 1 1 d .
H41A H 0.3918 1.0371 0.0000 0.056 Uiso 1 1 calc R
H41B H 0.4438 0.9935 0.0505 0.056 Uiso 1 1 calc R
C42 C 0.3866(6) 0.8882(5) -0.0244(3) 0.0451(15) Uani 1 1 d .
H42A H 0.3778 0.8848 -0.0665 0.054 Uiso 1 1 calc R
H42B H 0.4384 0.8399 -0.0186 0.054 Uiso 1 1 calc R
C43 C 0.2728(6) 0.8641(6) -0.0043(3) 0.0529(17) Uani 1 1 d .
H43A H 0.2828 0.8560 0.0354 0.079 Uiso 1 1 calc R
H43B H 0.2360 0.8042 -0.0302 0.079 Uiso 1 1 calc R
H43C H 0.2247 0.9164 -0.0048 0.079 Uiso 1 1 calc R
C103 C 0.0825(4) 0.4345(3) 0.1520(2) 0.0186(10) Uani 1 1 d .
C101 C 0.3930(4) 0.5011(3) 0.2213(2) 0.0179(9) Uani 1 1 d .
C102 C 0.2883(4) 0.4248(3) 0.1130(2) 0.0189(9) Uani 1 1 d .
C203 C 0.0248(4) 0.6432(3) 0.23234(19) 0.0184(9) Uani 1 1 d .
C201 C 0.3460(4) 0.6878(3) 0.28699(19) 0.0166(9) Uani 1 1 d .
C202 C 0.1824(4) 0.8020(4) 0.2621(2) 0.0208(10) Uani 1 1 d .
C303 C 0.0118(4) 0.4673(3) 0.2689(2) 0.0176(9) Uani 1 1 d .
C301 C 0.3226(4) 0.5197(3) 0.3403(2) 0.0179(9) Uani 1 1 d .
C302 C 0.1272(4) 0.4296(3) 0.3643(2) 0.0182(9) Uani 1 1 d .
Ge1 Ge 0.23913(4) 0.63061(4) 0.15545(2) 0.01480(11) Uani 1 1 d .
N1 N 0.1562(3) 0.6305(3) 0.08758(16) 0.0163(8) Uani 1 1 d .
N2 N 0.3694(3) 0.6607(3) 0.12135(16) 0.0185(8) Uani 1 1 d .
N3 N 0.0923(3) 0.2096(3) 0.19954(16) 0.0183(8) Uani 1 1 d .
N4 N 0.3565(3) 0.2590(3) 0.25974(16) 0.0179(8) Uani 1 1 d .
N5 N -0.0363(3) 0.7142(3) 0.38236(16) 0.0181(8) Uani 1 1 d .
N6 N 0.2284(3) 0.7413(3) 0.44037(17) 0.0178(8) Uani 1 1 d .
O103 O -0.0050(3) 0.4083(3) 0.12790(16) 0.0289(8) Uani 1 1 d .
O101 O 0.4865(3) 0.5138(2) 0.23898(16) 0.0255(8) Uani 1 1 d .
O102 O 0.3181(3) 0.3981(3) 0.06707(14) 0.0294(8) Uani 1 1 d .
O203 O -0.0709(3) 0.6311(3) 0.21900(16) 0.0273(8) Uani 1 1 d .
O201 O 0.4399(3) 0.7019(2) 0.30459(15) 0.0230(7) Uani 1 1 d .
O202 O 0.1816(3) 0.8811(2) 0.26342(15) 0.0267(8) Uani 1 1 d .
O303 O -0.0785(3) 0.4497(3) 0.24594(15) 0.0255(8) Uani 1 1 d .
O301 O 0.4142(3) 0.5340(3) 0.36092(16) 0.0281(8) Uani 1 1 d .
O302 O 0.1059(3) 0.3903(2) 0.40025(14) 0.0249(8) Uani 1 1 d .
Ru1 Ru 0.23680(3) 0.47353(2) 0.187156(14) 0.01345(8) Uani 1 1 d .
Ru2 Ru 0.18729(3) 0.66790(2) 0.256566(14) 0.01339(8) Uani 1 1 d .
Ru3 Ru 0.16538(3) 0.49287(2) 0.306233(14) 0.01314(8) Uani 1 1 d .
Si1 Si -0.04601(11) 0.18785(10) 0.22002(6) 0.0204(3) Uani 1 1 d .
Si2 Si 0.13549(11) 0.12232(9) 0.14170(5) 0.0193(3) Uani 1 1 d .
Si3 Si 0.34692(11) 0.22044(10) 0.32421(5) 0.0194(3) Uani 1 1 d .
Si4 Si 0.48967(10) 0.25461(9) 0.22953(5) 0.0181(3) Uani 1 1 d .
Si5 Si -0.15956(10) 0.64491(9) 0.39238(5) 0.0183(3) Uani 1 1 d .
Si6 Si -0.05422(11) 0.83390(10) 0.38066(6) 0.0216(3) Uani 1 1 d .
Si7 Si 0.17872(11) 0.71869(10) 0.50443(5) 0.0202(3) Uani 1 1 d .
Si8 Si 0.35329(10) 0.82059(9) 0.44877(5) 0.0187(3) Uani 1 1 d .
Sn1 Sn 0.21609(2) 0.32431(2) 0.235032(12) 0.01328(7) Uani 1 1 d .
Sn2 Sn 0.12631(2) 0.67140(2) 0.364909(12) 0.01301(7) Uani 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Ge Ge -1.0885 0.8855 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sn Sn 0.0259 5.4591 '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
N1 C1 C2 116.8(4) .
C5 C2 C4 110.0(5) .
C5 C2 C3 108.3(5) .
C4 C2 C3 109.1(5) .
C5 C2 C1 112.8(4) .
C4 C2 C1 110.9(4) .
C3 C2 C1 105.7(4) .
C7 C6 N1 126.7(5) .
C7 C6 C11 120.2(4) .
N1 C6 C11 113.0(4) .
C6 C7 C8 119.8(5) .
C9 C8 C7 120.2(5) .
C8 C9 C10 120.7(5) .
C11 C10 C9 120.0(5) .
C10 C11 N2 126.6(4) .
C10 C11 C6 119.1(4) .
N2 C11 C6 114.2(4) .
N2 C12 C13 115.9(4) .
C14 C13 C15 109.2(5) .
C14 C13 C16 109.0(4) .
C15 C13 C16 109.1(4) .
C14 C13 C12 110.9(4) .
C15 C13 C12 107.0(4) .
C16 C13 C12 111.6(4) .
C41 C41 C42 113.2(7) 2_675
C43 C42 C41 112.3(6) .
O103 C103 Ru1 175.2(4) .
O101 C101 Ru1 176.3(4) .
O102 C102 Ru1 177.4(4) .
O203 C203 Ru2 178.1(5) .
O201 C201 Ru2 178.1(4) .
O202 C202 Ru2 177.3(4) .
O303 C303 Ru3 178.2(4) .
O301 C301 Ru3 178.6(4) .
O302 C302 Ru3 178.7(4) .
N1 Ge1 N2 88.02(17) .
N1 Ge1 Ru2 130.92(12) .
N2 Ge1 Ru2 132.94(13) .
N1 Ge1 Ru1 118.27(12) .
N2 Ge1 Ru1 114.27(12) .
Ru2 Ge1 Ru1 73.773(17) .
C6 N1 C1 122.1(4) .
C6 N1 Ge1 111.0(3) .
C1 N1 Ge1 125.6(3) .
C11 N2 C12 123.0(4) .
C11 N2 Ge1 109.9(3) .
C12 N2 Ge1 126.3(3) .
Si1 N3 Si2 116.3(2) .
Si1 N3 Sn1 129.2(2) .
Si2 N3 Sn1 114.5(2) .
Si3 N4 Si4 116.6(2) .
Si3 N4 Sn1 115.71(19) .
Si4 N4 Sn1 127.0(2) .
Si5 N5 Si6 115.7(2) .
Si5 N5 Sn2 128.8(2) .
Si6 N5 Sn2 115.2(2) .
Si8 N6 Si7 116.1(2) .
Si8 N6 Sn2 129.4(2) .
Si7 N6 Sn2 114.45(19) .
C102 Ru1 C103 87.52(19) .
C102 Ru1 C101 90.79(19) .
C103 Ru1 C101 175.12(19) .
C102 Ru1 Ge1 83.84(14) .
C103 Ru1 Ge1 90.72(13) .
C101 Ru1 Ge1 93.65(13) .
C102 Ru1 Sn1 105.51(14) .
C103 Ru1 Sn1 87.99(13) .
C101 Ru1 Sn1 88.05(13) .
Ge1 Ru1 Sn1 170.488(18) .
C102 Ru1 Ru3 163.40(14) .
C103 Ru1 Ru3 93.08(13) .
C101 Ru1 Ru3 87.24(13) .
Ge1 Ru1 Ru3 112.729(17) .
Sn1 Ru1 Ru3 57.966(11) .
C102 Ru1 Ru2 135.42(14) .
C103 Ru1 Ru2 95.55(14) .
C101 Ru1 Ru2 88.87(14) .
Ge1 Ru1 Ru2 51.723(14) .
Sn1 Ru1 Ru2 119.030(14) .
Ru3 Ru1 Ru2 61.066(11) .
C202 Ru2 C201 91.9(2) .
C202 Ru2 C203 90.7(2) .
C201 Ru2 C203 174.57(18) .
C202 Ru2 Ge1 94.41(14) .
C201 Ru2 Ge1 92.37(13) .
C203 Ru2 Ge1 92.13(13) .
C202 Ru2 Sn2 96.65(14) .
C201 Ru2 Sn2 88.67(13) .
C203 Ru2 Sn2 86.32(13) .
Ge1 Ru2 Sn2 168.85(2) .
C202 Ru2 Ru1 148.79(14) .
C201 Ru2 Ru1 87.30(13) .
C203 Ru2 Ru1 92.87(14) .
Ge1 Ru2 Ru1 54.504(15) .
Sn2 Ru2 Ru1 114.502(14) .
C202 Ru2 Ru3 152.52(14) .
C201 Ru2 Ru3 87.03(13) .
C203 Ru2 Ru3 88.43(13) .
Ge1 Ru2 Ru3 113.077(18) .
Sn2 Ru2 Ru3 55.875(10) .
Ru1 Ru2 Ru3 58.633(11) .
C302 Ru3 C303 92.96(19) .
C302 Ru3 C301 89.65(19) .
C303 Ru3 C301 177.23(19) .
C302 Ru3 Sn2 97.05(14) .
C303 Ru3 Sn2 91.99(13) .
C301 Ru3 Sn2 88.61(14) .
C302 Ru3 Sn1 91.06(14) .
C303 Ru3 Sn1 88.33(13) .
C301 Ru3 Sn1 90.69(14) .
Sn2 Ru3 Sn1 171.857(15) .
C302 Ru3 Ru1 146.65(14) .
C303 Ru3 Ru1 84.70(13) .
C301 Ru3 Ru1 92.60(14) .
Sn2 Ru3 Ru1 116.255(14) .
Sn1 Ru3 Ru1 55.670(10) .
C302 Ru3 Ru2 152.90(14) .
C303 Ru3 Ru2 86.29(13) .
C301 Ru3 Ru2 91.81(13) .
Sn2 Ru3 Ru2 55.960(10) .
Sn1 Ru3 Ru2 115.970(13) .
Ru1 Ru3 Ru2 60.302(11) .
N3 Si1 C18 117.5(2) .
N3 Si1 C19 110.8(2) .
C18 Si1 C19 106.5(2) .
N3 Si1 C17 111.1(2) .
C18 Si1 C17 101.4(2) .
C19 Si1 C17 109.0(3) .
N3 Si2 C21 111.1(2) .
N3 Si2 C22 111.5(2) .
C21 Si2 C22 108.4(2) .
N3 Si2 C20 113.4(2) .
C21 Si2 C20 103.0(2) .
C22 Si2 C20 109.1(2) .
N4 Si3 C27 111.4(2) .
N4 Si3 C28 112.8(2) .
C27 Si3 C28 107.6(2) .
N4 Si3 C26 114.2(2) .
C27 Si3 C26 104.7(2) .
C28 Si3 C26 105.4(2) .
N4 Si4 C25 109.3(2) .
N4 Si4 C24 112.1(2) .
C25 Si4 C24 109.8(3) .
N4 Si4 C23 117.39(19) .
C25 Si4 C23 105.8(2) .
C24 Si4 C23 101.9(2) .
N5 Si5 C29 115.9(2) .
N5 Si5 C30 110.7(2) .
C29 Si5 C30 104.0(2) .
N5 Si5 C31 112.4(2) .
C29 Si5 C31 104.3(2) .
C30 Si5 C31 109.0(2) .
N5 Si6 C33 112.8(2) .
N5 Si6 C34 112.6(2) .
C33 Si6 C34 107.0(2) .
N5 Si6 C32 112.8(2) .
C33 Si6 C32 104.9(3) .
C34 Si6 C32 106.2(3) .
N6 Si7 C35 111.3(2) .
N6 Si7 C37 112.6(2) .
C35 Si7 C37 107.7(2) .
N6 Si7 C36 113.1(2) .
C35 Si7 C36 102.3(2) .
C37 Si7 C36 109.3(3) .
N6 Si8 C39 116.3(2) .
N6 Si8 C38 111.4(2) .
C39 Si8 C38 107.5(2) .
N6 Si8 C40 111.2(2) .
C39 Si8 C40 102.3(2) .
C38 Si8 C40 107.4(2) .
N3 Sn1 N4 104.10(15) .
N3 Sn1 Ru1 119.57(10) .
N4 Sn1 Ru1 123.02(11) .
N3 Sn1 Ru3 122.59(10) .
N4 Sn1 Ru3 118.78(11) .
Ru1 Sn1 Ru3 66.365(12) .
N6 Sn2 N5 103.70(15) .
N6 Sn2 Ru3 119.94(10) .
N5 Sn2 Ru3 124.21(11) .
N6 Sn2 Ru2 123.58(10) .
N5 Sn2 Ru2 115.37(10) .
Ru3 Sn2 Ru2 68.165(12) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.472(6) .
C1 C2 1.550(6) .
C2 C5 1.518(7) .
C2 C4 1.529(7) .
C2 C3 1.543(7) .
C6 C7 1.379(7) .
C6 N1 1.404(6) .
C6 C11 1.427(7) .
C7 C8 1.394(7) .
C8 C9 1.385(8) .
C9 C10 1.388(7) .
C10 C11 1.387(7) .
C11 N2 1.410(6) .
C12 N2 1.445(6) .
C12 C13 1.553(7) .
C13 C14 1.516(7) .
C13 C15 1.535(7) .
C13 C16 1.536(7) .
C17 Si1 1.880(5) .
C18 Si1 1.875(5) .
C19 Si1 1.875(5) .
C20 Si2 1.872(5) .
C21 Si2 1.864(5) .
C22 Si2 1.871(5) .
C23 Si4 1.887(5) .
C24 Si4 1.883(5) .
C25 Si4 1.876(5) .
C26 Si3 1.882(5) .
C27 Si3 1.868(5) .
C28 Si3 1.872(5) .
C29 Si5 1.876(5) .
C30 Si5 1.877(5) .
C31 Si5 1.881(5) .
C32 Si6 1.878(5) .
C33 Si6 1.865(5) .
C34 Si6 1.872(5) .
C35 Si7 1.857(5) .
C36 Si7 1.881(5) .
C37 Si7 1.871(5) .
C38 Si8 1.878(5) .
C39 Si8 1.875(5) .
C40 Si8 1.885(5) .
C41 C41 1.494(13) 2_675
C41 C42 1.530(9) .
C42 C43 1.487(9) .
C103 O103 1.137(6) .
C103 Ru1 1.931(5) .
C101 O101 1.138(6) .
C101 Ru1 1.934(5) .
C102 O102 1.151(6) .
C102 Ru1 1.888(5) .
C203 O203 1.139(6) .
C203 Ru2 1.940(5) .
C201 O201 1.141(6) .
C201 Ru2 1.935(5) .
C202 O202 1.132(6) .
C202 Ru2 1.909(5) .
C303 O303 1.145(6) .
C303 Ru3 1.931(5) .
C301 O301 1.139(6) .
C301 Ru3 1.944(5) .
C302 O302 1.161(6) .
C302 Ru3 1.883(5) .
Ge1 N1 1.837(4) .
Ge1 N2 1.841(4) .
Ge1 Ru2 2.4576(6) .
Ge1 Ru1 2.5488(6) .
N3 Si1 1.748(4) .
N3 Si2 1.755(4) .
N3 Sn1 2.081(4) .
N4 Si3 1.758(4) .
N4 Si4 1.759(4) .
N4 Sn1 2.091(4) .
N5 Si5 1.748(4) .
N5 Si6 1.763(4) .
N5 Sn2 2.091(4) .
N6 Si8 1.751(4) .
N6 Si7 1.754(4) .
N6 Sn2 2.086(4) .
Ru1 Sn1 2.6634(4) .
Ru1 Ru3 2.9547(5) .
Ru1 Ru2 3.0059(5) .
Ru2 Sn2 2.7035(4) .
Ru2 Ru3 3.0285(5) .
Ru3 Sn2 2.7008(4) .
Ru3 Sn1 2.7341(4) .
