# Electronic Supplementary Material (ESI) for RSC Advances.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
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#  fide research purposes only. It may contain copyright material
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data_xn13_007_dp508

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H37 Ge N3 O6 Ru2 Si2'
_chemical_formula_sum            'C25 H37 Ge N3 O6 Ru2 Si2'
_chemical_formula_weight         806.49

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'

_symmetry_cell_setting           TRICLINIC
_symmetry_space_group_name_H-M   'P -1'
_space_group_name_Hall           '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   12.0005(3)
_cell_length_b                   17.7747(3)
_cell_length_c                   17.9712(4)
_cell_angle_alpha                112.810(2)
_cell_angle_beta                 102.108(2)
_cell_angle_gamma                94.844(2)
_cell_volume                     3396.02(13)
_cell_formula_units_Z            4
_cell_measurement_temperature    153(4)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       fragment
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.2002
_exptl_crystal_size_mid          0.0588
_exptl_crystal_size_min          0.0521
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.577
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1616
_exptl_absorpt_coefficient_mu    9.157
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.56656
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      153(4)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            30345
_diffrn_reflns_av_R_equivalents  0.0216
_diffrn_reflns_av_sigmaI/netI    0.0223
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         2.98
_diffrn_reflns_theta_max         68.00
_reflns_number_total             12298
_reflns_number_gt                11667
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'MERCUY CSD 3.1 (Build RC5)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0336P)²+1.3332P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         12298
_refine_ls_number_parameters     731
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0236
_refine_ls_R_factor_gt           0.0223
_refine_ls_wR_factor_ref         0.0597
_refine_ls_wR_factor_gt          0.0585
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_restrained_S_all      1.030
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000

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
C1 C -0.0796(2) -1.04201(19) 0.2460(2) 0.0565(8) Uani 1 1 d . . .
H1A H -0.0713 -1.0074 0.3053 0.085 Uiso 1 1 calc R . .
H1B H -0.1529 -1.0818 0.2227 0.085 Uiso 1 1 calc R . .
H1C H -0.0792 -1.0067 0.2156 0.085 Uiso 1 1 calc R . .
C2 C 0.0309(3) -1.13567(19) 0.2938(2) 0.0521(7) Uani 1 1 d . . .
H2A H 0.0913 -1.1695 0.2844 0.078 Uiso 1 1 calc R . .
H2B H -0.0435 -1.1717 0.2805 0.078 Uiso 1 1 calc R . .
H2C H 0.0512 -1.0957 0.3526 0.078 Uiso 1 1 calc R . .
C3 C -0.0055(2) -1.15169(18) 0.1463(2) 0.0443(6) Uani 1 1 d . . .
C4 C 0.0214(2) -1.08902(16) 0.23750(19) 0.0394(6) Uani 1 1 d . . .
C5 C 0.1783(2) -0.96146(14) 0.31087(15) 0.0290(5) Uani 1 1 d . . .
C6 C 0.1265(2) -0.91809(16) 0.38146(17) 0.0378(5) Uani 1 1 d . . .
C7 C 0.1510(3) -0.93644(19) 0.45063(18) 0.0487(7) Uani 1 1 d . . .
H7 H 0.1959 -0.9779 0.4509 0.058 Uiso 1 1 calc R . .
C8 C 0.1105(3) -0.8945(2) 0.5195(2) 0.0680(10) Uani 1 1 d . . .
H8 H 0.1267 -0.9077 0.5667 0.082 Uiso 1 1 calc R . .
C9 C 0.0471(4) -0.8342(3) 0.5194(3) 0.0733(11) Uani 1 1 d . . .
H9 H 0.0195 -0.8055 0.5667 0.088 Uiso 1 1 calc R . .
C10 C 0.0229(3) -0.8147(2) 0.4517(2) 0.0608(9) Uani 1 1 d . . .
H10 H -0.0208 -0.7724 0.4527 0.073 Uiso 1 1 calc R . .
C11 C 0.0617(2) -0.85625(17) 0.3817(2) 0.0459(6) Uani 1 1 d . . .
H11 H 0.0444 -0.8429 0.3347 0.055 Uiso 1 1 calc R . .
C12 C 0.3370(2) -0.83831(14) 0.37698(14) 0.0320(5) Uani 1 1 d . . .
H12A H 0.4219 -0.8361 0.3908 0.038 Uiso 1 1 calc R . .
H12B H 0.3114 -0.8296 0.4282 0.038 Uiso 1 1 calc R . .
C13 C 0.3108(3) -0.76877(16) 0.35092(19) 0.0453(6) Uani 1 1 d . . .
H13A H 0.3513 -0.7153 0.3965 0.068 Uiso 1 1 calc R . .
H13B H 0.2271 -0.7696 0.3386 0.068 Uiso 1 1 calc R . .
H13C H 0.3372 -0.7764 0.3009 0.068 Uiso 1 1 calc R . .
C14 C 0.4964(3) -0.98258(18) 0.40839(17) 0.0446(6) Uani 1 1 d . . .
H14A H 0.4865 -0.9265 0.4425 0.067 Uiso 1 1 calc R . .
H14B H 0.5409 -1.0050 0.4446 0.067 Uiso 1 1 calc R . .
H14C H 0.4201 -1.0184 0.3788 0.067 Uiso 1 1 calc R . .
C15 C 0.5962(2) -1.08435(17) 0.26456(19) 0.0446(6) Uani 1 1 d . . .
H15A H 0.6381 -1.0807 0.2244 0.067 Uiso 1 1 calc R . .
H15B H 0.5203 -1.1205 0.2342 0.067 Uiso 1 1 calc R . .
H15C H 0.6409 -1.1073 0.3002 0.067 Uiso 1 1 calc R . .
C16 C 0.7233(3) -0.9177(2) 0.39594(19) 0.0537(7) Uani 1 1 d . . .
H16A H 0.7707 -0.9127 0.3593 0.081 Uiso 1 1 calc R . .
H16B H 0.7600 -0.9463 0.4287 0.081 Uiso 1 1 calc R . .
H16C H 0.7165 -0.8622 0.4339 0.081 Uiso 1 1 calc R . .
C17 C 0.6964(2) -0.91068(18) 0.19366(19) 0.0452(6) Uani 1 1 d . . .
H17A H 0.7458 -0.9299 0.2308 0.068 Uiso 1 1 calc R . .
H17B H 0.7438 -0.8694 0.1841 0.068 Uiso 1 1 calc R . .
H17C H 0.6591 -0.9579 0.1401 0.068 Uiso 1 1 calc R . .
C18 C 0.6490(3) -0.76456(17) 0.33974(19) 0.0496(7) Uani 1 1 d . . .
H18A H 0.6976 -0.7778 0.3824 0.074 Uiso 1 1 calc R . .
H18B H 0.5873 -0.7378 0.3613 0.074 Uiso 1 1 calc R . .
H18C H 0.6965 -0.7268 0.3260 0.074 Uiso 1 1 calc R . .
C19 C 0.4940(2) -0.82798(16) 0.16853(18) 0.0423(6) Uani 1 1 d . . .
H19A H 0.4328 -0.8022 0.1918 0.063 Uiso 1 1 calc R . .
H19B H 0.4588 -0.8760 0.1152 0.063 Uiso 1 1 calc R . .
H19C H 0.5436 -0.7875 0.1593 0.063 Uiso 1 1 calc R . .
C20 C 0.3595(2) -0.41068(16) 0.07605(17) 0.0386(6) Uani 1 1 d . . .
H20A H 0.3272 -0.4630 0.0264 0.058 Uiso 1 1 calc R . .
H20B H 0.4205 -0.3787 0.0659 0.058 Uiso 1 1 calc R . .
H20C H 0.2979 -0.3785 0.0878 0.058 Uiso 1 1 calc R . .
C21 C 0.4597(2) -0.34809(17) 0.22905(19) 0.0419(6) Uani 1 1 d . . .
C22 C 0.5112(2) -0.47480(17) 0.13465(19) 0.0409(6) Uani 1 1 d . . .
H22A H 0.5339 -0.4964 0.1771 0.061 Uiso 1 1 calc R . .
H22B H 0.5771 -0.4363 0.1376 0.061 Uiso 1 1 calc R . .
H22C H 0.4871 -0.5210 0.0790 0.061 Uiso 1 1 calc R . .
C23 C 0.4103(2) -0.42922(14) 0.15071(15) 0.0307(5) Uani 1 1 d . . .
C24 C 0.27436(18) -0.55229(13) 0.13763(13) 0.0229(4) Uani 1 1 d . . .
C25 C 0.30843(19) -0.61393(13) 0.06613(14) 0.0270(4) Uani 1 1 d . . .
C26 C 0.2530(2) -0.62716(14) -0.01504(14) 0.0304(5) Uani 1 1 d . . .
H26 H 0.1951 -0.5962 -0.0246 0.037 Uiso 1 1 calc R . .
C27 C 0.2823(2) -0.68587(16) -0.08244(16) 0.0399(6) Uani 1 1 d . . .
H27 H 0.2450 -0.6944 -0.1379 0.048 Uiso 1 1 calc R . .
C28 C 0.3651(3) -0.73170(15) -0.06891(18) 0.0441(6) Uani 1 1 d . . .
H28 H 0.3853 -0.7713 -0.1151 0.053 Uiso 1 1 calc R . .
C29 C 0.4188(2) -0.72018(16) 0.01138(18) 0.0412(6) Uani 1 1 d . . .
H29 H 0.4754 -0.7522 0.0204 0.049 Uiso 1 1 calc R . .
C30 C 0.3904(2) -0.66208(15) 0.07904(16) 0.0340(5) Uani 1 1 d . . .
H30 H 0.4267 -0.6550 0.1343 0.041 Uiso 1 1 calc R . .
C31 C 0.1405(2) -0.67023(13) 0.13047(14) 0.0277(4) Uani 1 1 d . . .
H31A H 0.1482 -0.6976 0.0727 0.033 Uiso 1 1 calc R . .
H31B H 0.0567 -0.6759 0.1277 0.033 Uiso 1 1 calc R . .
C32 C 0.1982(2) -0.71344(16) 0.18239(18) 0.0410(6) Uani 1 1 d . . .
H32A H 0.1613 -0.7721 0.1571 0.061 Uiso 1 1 calc R . .
H32B H 0.1897 -0.6870 0.2394 0.061 Uiso 1 1 calc R . .
H32C H 0.2807 -0.7090 0.1841 0.061 Uiso 1 1 calc R . .
C33 C -0.1512(3) -0.5445(2) 0.36017(19) 0.0497(7) Uani 1 1 d . . .
H33A H -0.2159 -0.5428 0.3177 0.075 Uiso 1 1 calc R . .
H33B H -0.1142 -0.4878 0.4003 0.075 Uiso 1 1 calc R . .
H33C H -0.1802 -0.5749 0.3896 0.075 Uiso 1 1 calc R . .
C34 C -0.1050(3) -0.71086(18) 0.2426(2) 0.0528(8) Uani 1 1 d . . .
H34A H -0.1691 -0.7165 0.1957 0.079 Uiso 1 1 calc R . .
H34B H -0.1338 -0.7356 0.2766 0.079 Uiso 1 1 calc R . .
H34C H -0.0446 -0.7394 0.2209 0.079 Uiso 1 1 calc R . .
C35 C 0.0759(3) -0.59841(18) 0.39363(18) 0.0468(7) Uani 1 1 d . . .
H35A H 0.1135 -0.5411 0.4316 0.070 Uiso 1 1 calc R . .
H35B H 0.1330 -0.6289 0.3693 0.070 Uiso 1 1 calc R . .
H35C H 0.0437 -0.6253 0.4248 0.070 Uiso 1 1 calc R . .
C36 C -0.2433(2) -0.6059(2) 0.1376(2) 0.0546(8) Uani 1 1 d . . .
H36A H -0.2305 -0.6630 0.1121 0.082 Uiso 1 1 calc R . .
H36B H -0.2976 -0.5944 0.0960 0.082 Uiso 1 1 calc R . .
H36C H -0.2758 -0.5989 0.1850 0.082 Uiso 1 1 calc R . .
C37 C -0.1313(3) -0.42447(19) 0.2232(2) 0.0492(7) Uani 1 1 d . . .
H37A H -0.1562 -0.4167 0.2739 0.074 Uiso 1 1 calc R . .
H37B H -0.1925 -0.4160 0.1832 0.074 Uiso 1 1 calc R . .
H37C H -0.0605 -0.3842 0.2379 0.074 Uiso 1 1 calc R . .
C38 C -0.0542(2) -0.54919(18) 0.07800(15) 0.0395(6) Uani 1 1 d . . .
H38A H -0.0395 -0.6059 0.0536 0.059 Uiso 1 1 calc R . .
H38B H 0.0170 -0.5096 0.0920 0.059 Uiso 1 1 calc R . .
H38C H -0.1151 -0.5411 0.0375 0.059 Uiso 1 1 calc R . .
C101 C 0.2942(2) -1.14729(15) 0.25417(18) 0.0372(6) Uani 1 1 d . . .
C102 C 0.3159(2) -1.17297(15) 0.10493(17) 0.0379(6) Uani 1 1 d . . .
C201 C 0.2275(3) -0.92923(19) 0.02688(18) 0.0482(7) Uani 1 1 d . . .
C202 C 0.3590(3) -1.04344(16) 0.04356(16) 0.0417(6) Uani 1 1 d . . .
C203 C 0.1098(2) -0.95424(17) 0.13203(17) 0.0394(6) Uani 1 1 d . . .
C204 C 0.1174(3) -1.10955(18) 0.00147(17) 0.0462(7) Uani 1 1 d . . .
C301 C 0.1408(2) -0.36476(14) 0.17530(16) 0.0340(5) Uani 1 1 d . . .
C302 C 0.1835(2) -0.30531(15) 0.33589(16) 0.0374(5) Uani 1 1 d . . .
C401 C 0.3503(2) -0.4930(2) 0.46673(18) 0.0502(7) Uani 1 1 d . . .
C402 C 0.2006(2) -0.39264(16) 0.44490(15) 0.0369(5) Uani 1 1 d . . .
C403 C 0.4153(2) -0.50334(18) 0.32797(16) 0.0408(6) Uani 1 1 d . . .
C404 C 0.4227(3) -0.3336(2) 0.42978(18) 0.0553(8) Uani 1 1 d . . .
Ge1 Ge 0.34646(2) -0.974414(14) 0.220047(15) 0.02281(6) Uani 1 1 d . . .
Ge2 Ge 0.15478(2) -0.505490(14) 0.263881(14) 0.02120(6) Uani 1 1 d . . .
N1 N 0.13623(16) -1.03705(12) 0.25297(13) 0.0299(4) Uani 1 1 d . . .
N2 N 0.27967(16) -0.92106(11) 0.31155(12) 0.0271(4) Uani 1 1 d . . .
N3 N 0.50388(15) -0.93354(11) 0.26707(11) 0.0268(4) Uani 1 1 d . . .
N4 N 0.31545(15) -0.47202(11) 0.17168(11) 0.0248(4) Uani 1 1 d . . .
N5 N 0.19221(15) -0.58152(10) 0.16594(11) 0.0231(3) Uani 1 1 d . . .
N6 N 0.00167(16) -0.54935(11) 0.24865(11) 0.0264(4) Uani 1 1 d . . .
O101 O 0.33788(19) -1.16962(13) 0.30258(14) 0.0525(5) Uani 1 1 d . . .
O102 O 0.3659(2) -1.21443(12) 0.06261(14) 0.0562(5) Uani 1 1 d . . .
O201 O 0.2256(2) -0.88578(16) -0.00518(16) 0.0699(7) Uani 1 1 d . . .
O202 O 0.4419(2) -1.06256(14) 0.02622(14) 0.0577(5) Uani 1 1 d . . .
O203 O 0.04578(19) -0.91957(13) 0.16416(14) 0.0526(5) Uani 1 1 d . . .
O204 O 0.0564(2) -1.16963(14) -0.04491(14) 0.0691(7) Uani 1 1 d . . .
O301 O 0.07263(19) -0.34960(13) 0.13075(13) 0.0506(5) Uani 1 1 d . . .
O302 O 0.1481(2) -0.25614(12) 0.38382(13) 0.0553(5) Uani 1 1 d . . .
O401 O 0.3707(2) -0.5239(2) 0.51137(16) 0.0745(8) Uani 1 1 d . . .
O402 O 0.12987(19) -0.36845(13) 0.47599(12) 0.0494(5) Uani 1 1 d . . .
O403 O 0.47172(19) -0.54406(16) 0.29233(13) 0.0589(6) Uani 1 1 d . . .
O404 O 0.4816(3) -0.27193(17) 0.45154(16) 0.0875(9) Uani 1 1 d . . .
Ru1 Ru 0.233152(14) -1.108186(10) 0.174729(11) 0.02691(5) Uani 1 1 d . . .
Ru2 Ru 0.222664(16) -1.007339(11) 0.077307(11) 0.03132(5) Uani 1 1 d . . .
Ru3 Ru 0.241633(14) -0.383745(9) 0.257653(10) 0.02543(5) Uani 1 1 d . . .
Ru4 Ru 0.319086(15) -0.438810(12) 0.391902(10) 0.03210(5) Uani 1 1 d . . .
Si1 Si 0.57556(6) -0.97846(4) 0.33097(4) 0.03279(14) Uani 1 1 d . . .
Si2 Si 0.58278(5) -0.86260(4) 0.24318(4) 0.03050(13) Uani 1 1 d . . .
Si3 Si -0.04299(6) -0.59810(4) 0.30846(4) 0.03304(14) Uani 1 1 d . . .
Si4 Si -0.10196(5) -0.53203(4) 0.17510(4) 0.03341(14) Uani 1 1 d . . .
H21A H 0.400(3) -0.3167(19) 0.243(2) 0.044(8) Uiso 1 1 d . . .
H3A H 0.058(3) -1.183(2) 0.137(2) 0.049(8) Uiso 1 1 d . . .
H21B H 0.498(3) -0.3599(19) 0.273(2) 0.044(8) Uiso 1 1 d . . .
H21C H 0.509(3) -0.313(2) 0.216(2) 0.052(9) Uiso 1 1 d . . .
H3B H -0.071(3) -1.192(2) 0.134(2) 0.049(8) Uiso 1 1 d . . .
H3C H -0.021(3) -1.123(2) 0.107(2) 0.059(10) Uiso 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 C4 1.530(4) . ?
C2 C4 1.531(4) . ?
C3 C4 1.527(4) . ?
C4 N1 1.501(3) . ?
C5 N1 1.313(3) . ?
C5 N2 1.355(3) . ?
C5 C6 1.497(3) . ?
C6 C7 1.384(4) . ?
C6 C11 1.399(4) . ?
C7 C8 1.388(4) . ?
C8 C9 1.366(6) . ?
C9 C10 1.372(6) . ?
C10 C11 1.389(4) . ?
C12 N2 1.472(3) . ?
C12 C13 1.516(4) . ?
C14 Si1 1.862(3) . ?
C15 Si1 1.868(3) . ?
C16 Si1 1.871(3) . ?
C17 Si2 1.870(3) . ?
C18 Si2 1.877(3) . ?
C19 Si2 1.862(3) . ?
C20 C23 1.521(4) . ?
C21 C23 1.531(3) . ?
C22 C23 1.528(3) . ?
C23 N4 1.507(3) . ?
C24 N4 1.316(3) . ?
C24 N5 1.353(3) . ?
C24 C25 1.491(3) . ?
C25 C26 1.388(3) . ?
C25 C30 1.398(3) . ?
C26 C27 1.393(3) . ?
C27 C28 1.378(4) . ?
C28 C29 1.378(4) . ?
C29 C30 1.386(4) . ?
C31 N5 1.472(3) . ?
C31 C32 1.521(3) . ?
C33 Si3 1.867(3) . ?
C34 Si3 1.874(3) . ?
C35 Si3 1.863(3) . ?
C36 Si4 1.875(3) . ?
C37 Si4 1.867(3) . ?
C38 Si4 1.872(3) . ?
C101 O101 1.140(3) . ?
C101 Ru1 1.864(3) . ?
C102 O102 1.146(3) . ?
C102 Ru1 1.866(3) . ?
C201 O201 1.128(3) . ?
C201 Ru2 1.933(3) . ?
C202 O202 1.143(4) . ?
C202 Ru2 1.936(3) . ?
C203 O203 1.138(4) . ?
C203 Ru2 1.936(3) . ?
C204 O204 1.137(3) . ?
C204 Ru2 1.930(3) . ?
C301 O301 1.145(3) . ?
C301 Ru3 1.864(3) . ?
C302 O302 1.148(3) . ?
C302 Ru3 1.861(3) . ?
C401 O401 1.134(4) . ?
C401 Ru4 1.932(3) . ?
C402 O402 1.137(3) . ?
C402 Ru4 1.939(3) . ?
C403 O403 1.139(3) . ?
C403 Ru4 1.930(3) . ?
C404 O404 1.130(4) . ?
C404 Ru4 1.942(3) . ?
Ge1 N3 1.8529(18) . ?
Ge1 N2 1.9282(18) . ?
Ge1 Ru1 2.3778(3) . ?
Ge1 Ru2 2.4940(3) . ?
Ge2 N6 1.8549(18) . ?
Ge2 N5 1.9276(18) . ?
Ge2 Ru3 2.3743(3) . ?
Ge2 Ru4 2.4847(3) . ?
N1 Ru1 2.1177(19) . ?
N3 Si2 1.7490(19) . ?
N3 Si1 1.7631(19) . ?
N4 Ru3 2.1361(18) . ?
N6 Si3 1.7546(19) . ?
N6 Si4 1.7546(19) . ?
Ru1 Ru2 2.9450(2) . ?
Ru3 Ru4 2.9473(3) . ?

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
N1 C4 C3 104.5(2) . . ?
N1 C4 C1 115.2(2) . . ?
C3 C4 C1 107.2(3) . . ?
N1 C4 C2 110.7(2) . . ?
C3 C4 C2 109.1(2) . . ?
C1 C4 C2 109.8(2) . . ?
N1 C5 N2 118.9(2) . . ?
N1 C5 C6 124.4(2) . . ?
N2 C5 C6 116.6(2) . . ?
C7 C6 C11 119.7(2) . . ?
C7 C6 C5 118.2(2) . . ?
C11 C6 C5 122.0(2) . . ?
C6 C7 C8 120.3(3) . . ?
C9 C8 C7 119.8(3) . . ?
C8 C9 C10 120.6(3) . . ?
C9 C10 C11 120.7(3) . . ?
C10 C11 C6 118.9(3) . . ?
N2 C12 C13 112.9(2) . . ?
N4 C23 C20 110.04(18) . . ?
N4 C23 C22 115.77(19) . . ?
C20 C23 C22 109.5(2) . . ?
N4 C23 C21 104.34(19) . . ?
C20 C23 C21 110.1(2) . . ?
C22 C23 C21 106.9(2) . . ?
N4 C24 N5 118.89(19) . . ?
N4 C24 C25 124.13(19) . . ?
N5 C24 C25 116.92(18) . . ?
C26 C25 C30 119.3(2) . . ?
C26 C25 C24 119.4(2) . . ?
C30 C25 C24 121.2(2) . . ?
C25 C26 C27 119.9(2) . . ?
C28 C27 C26 120.3(2) . . ?
C29 C28 C27 120.2(2) . . ?
C28 C29 C30 120.2(3) . . ?
C29 C30 C25 120.1(2) . . ?
N5 C31 C32 111.83(19) . . ?
O101 C101 Ru1 176.0(2) . . ?
O102 C102 Ru1 178.2(2) . . ?
O201 C201 Ru2 176.8(3) . . ?
O202 C202 Ru2 177.6(3) . . ?
O203 C203 Ru2 176.7(2) . . ?
O204 C204 Ru2 178.2(3) . . ?
O301 C301 Ru3 172.9(2) . . ?
O302 C302 Ru3 179.1(2) . . ?
O401 C401 Ru4 178.6(3) . . ?
O402 C402 Ru4 177.4(2) . . ?
O403 C403 Ru4 176.4(3) . . ?
O404 C404 Ru4 179.0(4) . . ?
N3 Ge1 N2 103.29(8) . . ?
N3 Ge1 Ru1 132.03(6) . . ?
N2 Ge1 Ru1 95.12(5) . . ?
N3 Ge1 Ru2 130.82(6) . . ?
N2 Ge1 Ru2 115.97(6) . . ?
Ru1 Ge1 Ru2 74.343(9) . . ?
N6 Ge2 N5 102.90(8) . . ?
N6 Ge2 Ru3 132.13(6) . . ?
N5 Ge2 Ru3 95.13(5) . . ?
N6 Ge2 Ru4 131.30(6) . . ?
N5 Ge2 Ru4 115.48(5) . . ?
Ru3 Ge2 Ru4 74.643(9) . . ?
C5 N1 C4 126.8(2) . . ?
C5 N1 Ru1 123.04(15) . . ?
C4 N1 Ru1 109.83(15) . . ?
C5 N2 C12 122.73(19) . . ?
C5 N2 Ge1 117.42(15) . . ?
C12 N2 Ge1 119.82(14) . . ?
Si2 N3 Si1 120.34(11) . . ?
Si2 N3 Ge1 123.59(11) . . ?
Si1 N3 Ge1 115.77(10) . . ?
C24 N4 C23 126.08(18) . . ?
C24 N4 Ru3 122.64(14) . . ?
C23 N4 Ru3 111.04(13) . . ?
C24 N5 C31 122.35(18) . . ?
C24 N5 Ge2 118.12(14) . . ?
C31 N5 Ge2 119.18(14) . . ?
Si3 N6 Si4 119.98(11) . . ?
Si3 N6 Ge2 123.84(10) . . ?
Si4 N6 Ge2 115.97(10) . . ?
C101 Ru1 C102 88.99(11) . . ?
C101 Ru1 N1 90.85(9) . . ?
C102 Ru1 N1 178.69(9) . . ?
C101 Ru1 Ge1 105.58(8) . . ?
C102 Ru1 Ge1 99.98(7) . . ?
N1 Ru1 Ge1 81.31(5) . . ?
C101 Ru1 Ru2 158.66(8) . . ?
C102 Ru1 Ru2 87.22(8) . . ?
N1 Ru1 Ru2 93.39(5) . . ?
Ge1 Ru1 Ru2 54.631(8) . . ?
C204 Ru2 C201 110.91(12) . . ?
C204 Ru2 C203 95.95(12) . . ?
C201 Ru2 C203 89.57(12) . . ?
C204 Ru2 C202 95.38(12) . . ?
C201 Ru2 C202 90.25(12) . . ?
C203 Ru2 C202 167.94(11) . . ?
C204 Ru2 Ge1 127.43(9) . . ?
C201 Ru2 Ge1 121.62(9) . . ?
C203 Ru2 Ge1 86.77(7) . . ?
C202 Ru2 Ge1 83.06(8) . . ?
C204 Ru2 Ru1 76.51(9) . . ?
C201 Ru2 Ru1 172.48(9) . . ?
C203 Ru2 Ru1 88.40(7) . . ?
C202 Ru2 Ru1 90.22(8) . . ?
Ge1 Ru2 Ru1 51.025(7) . . ?
C302 Ru3 C301 87.48(11) . . ?
C302 Ru3 N4 177.54(10) . . ?
C301 Ru3 N4 94.56(9) . . ?
C302 Ru3 Ge2 99.04(8) . . ?
C301 Ru3 Ge2 108.13(7) . . ?
N4 Ru3 Ge2 81.65(5) . . ?
C302 Ru3 Ru4 84.55(8) . . ?
C301 Ru3 Ru4 159.00(7) . . ?
N4 Ru3 Ru4 93.99(5) . . ?
Ge2 Ru3 Ru4 54.385(7) . . ?
C403 Ru4 C401 89.14(12) . . ?
C403 Ru4 C402 169.31(11) . . ?
C401 Ru4 C402 88.92(11) . . ?
C403 Ru4 C404 94.32(13) . . ?
C401 Ru4 C404 113.63(14) . . ?
C402 Ru4 C404 96.09(13) . . ?
C403 Ru4 Ge2 87.82(7) . . ?
C401 Ru4 Ge2 118.86(10) . . ?
C402 Ru4 Ge2 83.91(7) . . ?
C404 Ru4 Ge2 127.49(10) . . ?
C403 Ru4 Ru3 88.85(8) . . ?
C401 Ru4 Ru3 169.72(10) . . ?
C402 Ru4 Ru3 91.19(7) . . ?
C404 Ru4 Ru3 76.58(10) . . ?
Ge2 Ru4 Ru3 50.972(7) . . ?
N3 Si1 C14 111.85(11) . . ?
N3 Si1 C15 109.94(11) . . ?
C14 Si1 C15 110.81(13) . . ?
N3 Si1 C16 112.96(12) . . ?
C14 Si1 C16 104.54(14) . . ?
C15 Si1 C16 106.52(14) . . ?
N3 Si2 C19 114.22(11) . . ?
N3 Si2 C17 109.86(11) . . ?
C19 Si2 C17 106.34(14) . . ?
N3 Si2 C18 110.50(12) . . ?
C19 Si2 C18 104.63(14) . . ?
C17 Si2 C18 111.14(14) . . ?
N6 Si3 C35 114.52(11) . . ?
N6 Si3 C33 110.18(12) . . ?
C35 Si3 C33 106.28(14) . . ?
N6 Si3 C34 111.22(11) . . ?
C35 Si3 C34 103.96(15) . . ?
C33 Si3 C34 110.42(14) . . ?
N6 Si4 C37 109.57(12) . . ?
N6 Si4 C38 111.60(10) . . ?
C37 Si4 C38 110.65(13) . . ?
N6 Si4 C36 112.60(12) . . ?
C37 Si4 C36 107.69(15) . . ?
C38 Si4 C36 104.58(13) . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        68.00
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         1.144
_refine_diff_density_min         -0.634
_refine_diff_density_rms         0.065
_database_code_depnum_ccdc_archive 'CCDC 999866'
#######################################################################
#
#                 Cambridge Crystallographic Data Centre
#                                CCDC 
# 
#######################################################################
# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
#  This CIF is provided on the understanding that it is used for bona
#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
#  disseminated in any form, whether machine-readable or not,
#  except for the purpose of generating routine backup copies
#  on your local computer system.
# 
#  For further information on the CCDC, data deposition and
#  data retrieval see:
#                         www.ccdc.cam.ac.uk
#
#  Bona fide researchers may freely download Mercury and enCIFer
#  from this site to visualise CIF-encoded structures and 
#  to carry out CIF format checking respectively.
#
data_xn13_012_dp523

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
 ?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C42 H53 Ge N3 O5 Ru2 Si2 Sn, C7 H8'
_chemical_formula_sum            'C49 H61 Ge N3 O5 Ru2 Si2 Sn'
_chemical_formula_weight         1221.61

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'

_symmetry_cell_setting           TRICLINIC
_symmetry_space_group_name_H-M   'P -1'
_space_group_name_Hall           '-P 1'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   13.0728(5)
_cell_length_b                   13.3171(4)
_cell_length_c                   17.1692(5)
_cell_angle_alpha                73.514(3)
_cell_angle_beta                 72.315(3)
_cell_angle_gamma                72.066(3)
_cell_volume                     2649.05(15)
_cell_formula_units_Z            2
_cell_measurement_temperature    154(2)
_cell_measurement_reflns_used    11243
_cell_measurement_theta_min      3.6480
_cell_measurement_theta_max      69.1730

_exptl_crystal_description       fragment
_exptl_crystal_colour            orange
_exptl_crystal_size_max          0.2435
_exptl_crystal_size_mid          0.0863
_exptl_crystal_size_min          0.0811
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.532
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1228
_exptl_absorpt_coefficient_mu    9.680
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.62476
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_special_details           
;
 ?
;

_diffrn_ambient_temperature      154(2)
_diffrn_radiation_wavelength     1.5418
_diffrn_radiation_type           'Cu K\a'
_diffrn_radiation_source         'Nova (Cu) X-ray Source'
_diffrn_radiation_monochromator  mirror
_diffrn_measurement_device_type  'Xcalibur, Onyx, Nova'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            19749
_diffrn_reflns_av_R_equivalents  0.0276
_diffrn_reflns_av_sigmaI/netI    0.0331
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_theta_min         3.57
_diffrn_reflns_theta_max         67.98
_reflns_number_total             9561
_reflns_number_gt                8416
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'MERCUY CSD 3.1 (Build RC5)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
;
 Refinement of F² against ALL reflections.  The weighted R-factor wR and
 goodness of fit S are based on F², conventional R-factors R are based
 on F, with F set to zero for negative F². The threshold expression of
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is
 not relevant to the choice of reflections for refinement.  R-factors based
 on F² are statistically about twice as large as those based on F, and R-
 factors based on ALL data will be even larger.
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0298P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         9561
_refine_ls_number_parameters     659
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0310
_refine_ls_R_factor_gt           0.0248
_refine_ls_wR_factor_ref         0.0622
_refine_ls_wR_factor_gt          0.0577
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_restrained_S_all      1.034
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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
C1 C 0.1890(3) 0.0079(3) 0.3072(2) 0.0489(8) Uani 1 1 d . . .
H1A H 0.2168 -0.0700 0.3100 0.073 Uiso 1 1 calc R . .
H1B H 0.1108 0.0296 0.3054 0.073 Uiso 1 1 calc R . .
H1C H 0.1966 0.0253 0.3566 0.073 Uiso 1 1 calc R . .
C2 C 0.2583(3) 0.0302(3) 0.1516(2) 0.0506(8) Uani 1 1 d . . .
H2A H 0.2996 0.0707 0.1013 0.076 Uiso 1 1 calc R . .
H2B H 0.1824 0.0424 0.1468 0.076 Uiso 1 1 calc R . .
H2C H 0.2944 -0.0469 0.1577 0.076 Uiso 1 1 calc R . .
C3 C 0.1960(3) 0.1883(3) 0.2197(3) 0.0457(8) Uani 1 1 d . . .
C4 C 0.2559(2) 0.0685(2) 0.22811(19) 0.0367(6) Uani 1 1 d . . .
C5 C 0.4408(2) -0.0225(2) 0.26210(16) 0.0286(5) Uani 1 1 d . . .
C6 C 0.4202(2) -0.1332(2) 0.28984(18) 0.0330(6) Uani 1 1 d . . .
C7 C 0.4437(3) -0.1924(2) 0.2287(2) 0.0383(7) Uani 1 1 d . . .
H7 H 0.4697 -0.1616 0.1715 0.046 Uiso 1 1 calc R . .
C8 C 0.4286(3) -0.2970(3) 0.2520(2) 0.0462(8) Uani 1 1 d . . .
H8 H 0.4440 -0.3375 0.2105 0.055 Uiso 1 1 calc R . .
C9 C 0.3917(3) -0.3419(2) 0.3349(2) 0.0447(7) Uani 1 1 d . . .
H9 H 0.3815 -0.4132 0.3504 0.054 Uiso 1 1 calc R . .
C10 C 0.3693(3) -0.2836(2) 0.3955(2) 0.0431(7) Uani 1 1 d . . .
H10 H 0.3438 -0.3149 0.4527 0.052 Uiso 1 1 calc R . .
C11 C 0.3840(3) -0.1798(2) 0.37330(19) 0.0376(6) Uani 1 1 d . . .
H11 H 0.3693 -0.1402 0.4153 0.045 Uiso 1 1 calc R . .
C12 C 0.6204(2) -0.1048(2) 0.30158(18) 0.0338(6) Uani 1 1 d . . .
H12A H 0.6959 -0.1025 0.2670 0.041 Uiso 1 1 calc R . .
H12B H 0.6061 -0.1733 0.3008 0.041 Uiso 1 1 calc R . .
C13 C 0.6152(3) -0.1034(3) 0.3906(2) 0.0441(7) Uani 1 1 d . . .
H13A H 0.6243 -0.0339 0.3925 0.066 Uiso 1 1 calc R . .
H13B H 0.6745 -0.1617 0.4105 0.066 Uiso 1 1 calc R . .
H13C H 0.5434 -0.1139 0.4265 0.066 Uiso 1 1 calc R . .
C14 C 0.7853(3) 0.1270(3) -0.0053(2) 0.0569(9) Uani 1 1 d . . .
H14A H 0.7145 0.1791 -0.0096 0.085 Uiso 1 1 calc R . .
H14B H 0.8111 0.0887 -0.0514 0.085 Uiso 1 1 calc R . .
H14C H 0.8400 0.1653 -0.0085 0.085 Uiso 1 1 calc R . .
C15 C 0.6745(3) -0.0522(3) 0.0926(2) 0.0459(8) Uani 1 1 d . . .
H15A H 0.6743 -0.1142 0.1398 0.069 Uiso 1 1 calc R . .
H15B H 0.7016 -0.0777 0.0400 0.069 Uiso 1 1 calc R . .
H15C H 0.5990 -0.0066 0.0957 0.069 Uiso 1 1 calc R . .
C16 C 0.8993(3) -0.0773(3) 0.1069(3) 0.0625(10) Uani 1 1 d . . .
H16A H 0.9599 -0.0419 0.0932 0.094 Uiso 1 1 calc R . .
H16B H 0.9159 -0.1253 0.0684 0.094 Uiso 1 1 calc R . .
H16C H 0.8911 -0.1195 0.1644 0.094 Uiso 1 1 calc R . .
C17 C 0.7552(3) 0.2839(3) 0.2268(3) 0.0636(11) Uani 1 1 d . . .
H17A H 0.7248 0.3310 0.1797 0.095 Uiso 1 1 calc R . .
H17B H 0.8154 0.3095 0.2314 0.095 Uiso 1 1 calc R . .
H17C H 0.6968 0.2852 0.2786 0.095 Uiso 1 1 calc R . .
C18 C 0.9395(4) 0.1527(5) 0.1263(3) 0.0860(16) Uani 1 1 d . . .
H18A H 0.9803 0.0803 0.1168 0.129 Uiso 1 1 calc R . .
H18B H 0.9854 0.1835 0.1443 0.129 Uiso 1 1 calc R . .
H18C H 0.9209 0.1989 0.0744 0.129 Uiso 1 1 calc R . .
C19 C 0.8453(5) 0.0527(4) 0.3062(3) 0.0825(14) Uani 1 1 d . . .
H19A H 0.7777 0.0500 0.3507 0.124 Uiso 1 1 calc R . .
H19B H 0.8948 0.0801 0.3234 0.124 Uiso 1 1 calc R . .
H19C H 0.8825 -0.0199 0.2958 0.124 Uiso 1 1 calc R . .
C20 C 0.2482(3) 0.3860(2) 0.52462(18) 0.0369(6) Uani 1 1 d . . .
C21 C 0.1598(3) 0.3708(3) 0.5933(2) 0.0496(8) Uani 1 1 d . . .
H21 H 0.0998 0.3505 0.5868 0.059 Uiso 1 1 calc R . .
C22 C 0.1576(4) 0.3848(3) 0.6707(2) 0.0669(11) Uani 1 1 d . . .
H22 H 0.0968 0.3741 0.7168 0.080 Uiso 1 1 calc R . .
C23 C 0.2439(4) 0.4141(4) 0.6804(3) 0.0757(14) Uani 1 1 d . . .
H23 H 0.2427 0.4236 0.7335 0.091 Uiso 1 1 calc R . .
C24 C 0.3322(4) 0.4300(4) 0.6143(3) 0.0682(11) Uani 1 1 d . . .
H24 H 0.3917 0.4507 0.6213 0.082 Uiso 1 1 calc R . .
C25 C 0.3337(3) 0.4155(3) 0.5362(2) 0.0514(8) Uani 1 1 d . . .
H25 H 0.3949 0.4263 0.4904 0.062 Uiso 1 1 calc R . .
C26 C 0.1986(2) 0.5201(2) 0.33175(19) 0.0366(6) Uani 1 1 d . . .
C27 C 0.2254(3) 0.5406(3) 0.2453(2) 0.0462(8) Uani 1 1 d . . .
H27 H 0.2644 0.4826 0.2175 0.055 Uiso 1 1 calc R . .
C28 C 0.1964(3) 0.6444(3) 0.1981(2) 0.0555(9) Uani 1 1 d . . .
H28 H 0.2165 0.6571 0.1387 0.067 Uiso 1 1 calc R . .
C29 C 0.1384(3) 0.7287(3) 0.2379(2) 0.0539(9) Uani 1 1 d . . .
H29 H 0.1178 0.7996 0.2061 0.065 Uiso 1 1 calc R . .
C30 C 0.1104(3) 0.7103(3) 0.3234(2) 0.0526(9) Uani 1 1 d . . .
H30 H 0.0704 0.7686 0.3507 0.063 Uiso 1 1 calc R . .
C31 C 0.1400(3) 0.6072(2) 0.3706(2) 0.0437(7) Uani 1 1 d . . .
H31 H 0.1204 0.5955 0.4299 0.052 Uiso 1 1 calc R . .
C32 C 0.1081(3) 0.2923(2) 0.43193(19) 0.0391(7) Uani 1 1 d . . .
C33 C 0.0232(3) 0.3453(3) 0.3911(2) 0.0477(8) Uani 1 1 d . . .
H33 H 0.0265 0.4126 0.3533 0.057 Uiso 1 1 calc R . .
C34 C -0.0666(3) 0.3021(4) 0.4043(3) 0.0634(10) Uani 1 1 d . . .
H34 H -0.1243 0.3404 0.3763 0.076 Uiso 1 1 calc R . .
C35 C -0.0715(3) 0.2038(4) 0.4580(3) 0.0653(11) Uani 1 1 d . . .
H35 H -0.1318 0.1733 0.4661 0.078 Uiso 1 1 calc R . .
C36 C 0.0105(3) 0.1500(3) 0.4996(3) 0.0585(10) Uani 1 1 d . . .
H36 H 0.0064 0.0827 0.5373 0.070 Uiso 1 1 calc R . .
C37 C 0.0996(3) 0.1936(3) 0.4868(2) 0.0463(8) Uani 1 1 d . . .
H37 H 0.1560 0.1555 0.5161 0.056 Uiso 1 1 calc R . .
C39 C 0.1223(17) 0.4481(15) 0.0595(10) 0.061(4) Uani 0.671(17) 1 d P A 1
C38 C 0.0446(11) 0.4858(15) 0.1332(7) 0.124(5) Uani 0.671(17) 1 d P A 1
H38A H 0.0812 0.4627 0.1796 0.187 Uiso 0.671(17) 1 calc PR A 1
H38B H -0.0199 0.4552 0.1492 0.187 Uiso 0.671(17) 1 calc PR A 1
H38C H 0.0206 0.5648 0.1201 0.187 Uiso 0.671(17) 1 calc PR A 1
C40 C 0.2245(13) 0.4727(9) 0.0256(8) 0.074(3) Uani 0.671(17) 1 d P A 1
H40 H 0.2443 0.5170 0.0505 0.089 Uiso 0.671(17) 1 calc PR A 1
C41 C 0.2939(12) 0.4380(16) -0.0384(9) 0.064(4) Uani 0.671(17) 1 d P A 1
H41 H 0.3586 0.4647 -0.0622 0.077 Uiso 0.671(17) 1 calc PR A 1
C42 C 0.2792(12) 0.3636(16) -0.0743(9) 0.082(4) Uani 0.671(17) 1 d P A 1
H42 H 0.3341 0.3355 -0.1188 0.099 Uiso 0.671(17) 1 calc PR A 1
C43 C 0.1801(12) 0.3327(8) -0.0417(10) 0.093(4) Uani 0.671(17) 1 d P A 1
H43 H 0.1650 0.2835 -0.0649 0.111 Uiso 0.671(17) 1 calc PR A 1
C44 C 0.1041(12) 0.3724(14) 0.0234(13) 0.080(4) Uani 0.671(17) 1 d P A 1
H44 H 0.0372 0.3492 0.0455 0.096 Uiso 0.671(17) 1 calc PR A 1
C39A C 0.104(4) 0.423(3) 0.067(3) 0.061(8) Uani 0.329(17) 1 d P A 2
C38A C -0.0047(18) 0.4404(19) 0.1329(11) 0.092(7) Uani 0.329(17) 1 d P A 2
H38D H -0.0532 0.4010 0.1271 0.138 Uiso 0.329(17) 1 calc PR A 2
H38E H -0.0410 0.5176 0.1255 0.138 Uiso 0.329(17) 1 calc PR A 2
H38F H 0.0105 0.4136 0.1886 0.138 Uiso 0.329(17) 1 calc PR A 2
C40A C 0.157(2) 0.510(2) 0.0482(15) 0.086(7) Uani 0.329(17) 1 d P A 2
H40A H 0.1252 0.5665 0.0783 0.103 Uiso 0.329(17) 1 calc PR A 2
C41A C 0.252(2) 0.512(2) -0.0107(18) 0.091(8) Uani 0.329(17) 1 d P A 2
H41A H 0.2845 0.5707 -0.0209 0.110 Uiso 0.329(17) 1 calc PR A 2
C42A C 0.310(3) 0.425(4) -0.062(2) 0.074(10) Uani 0.329(17) 1 d P A 2
H42A H 0.3798 0.4208 -0.1014 0.089 Uiso 0.329(17) 1 calc PR A 2
C43A C 0.244(2) 0.353(3) -0.0418(16) 0.073(8) Uani 0.329(17) 1 d P A 2
H43A H 0.2674 0.2986 -0.0736 0.088 Uiso 0.329(17) 1 calc PR A 2
C44A C 0.147(2) 0.352(2) 0.020(2) 0.065(8) Uani 0.329(17) 1 d P A 2
H44A H 0.1103 0.2968 0.0290 0.078 Uiso 0.329(17) 1 calc PR A 2
C203 C 0.3808(2) 0.1216(2) 0.39579(18) 0.0352(6) Uani 1 1 d . . .
C202 C 0.4787(3) 0.3787(3) 0.2687(2) 0.0423(7) Uani 1 1 d . . .
C201 C 0.5335(3) 0.2218(3) 0.39937(19) 0.0421(7) Uani 1 1 d . . .
C101 C 0.4629(3) 0.1719(3) 0.06253(19) 0.0420(7) Uani 1 1 d . . .
C102 C 0.4639(3) 0.3365(3) 0.1089(2) 0.0493(8) Uani 1 1 d . . .
Ge1 Ge 0.56834(2) 0.12822(2) 0.228524(18) 0.02738(7) Uani 1 1 d . . .
N1 N 0.37084(19) 0.06330(18) 0.23076(14) 0.0296(5) Uani 1 1 d . . .
N2 N 0.53966(19) -0.01331(17) 0.26423(14) 0.0284(5) Uani 1 1 d . . .
N3 N 0.71834(19) 0.09802(19) 0.17869(15) 0.0349(5) Uani 1 1 d . . .
O203 O 0.34772(19) 0.04951(16) 0.43783(13) 0.0424(5) Uani 1 1 d . . .
O202 O 0.5018(2) 0.45801(18) 0.23585(17) 0.0589(7) Uani 1 1 d . . .
O201 O 0.5915(2) 0.2114(3) 0.44036(15) 0.0653(7) Uani 1 1 d . . .
O101 O 0.4928(2) 0.1525(2) -0.00301(14) 0.0604(7) Uani 1 1 d . . .
O102 O 0.4988(3) 0.4104(2) 0.07267(19) 0.0775(9) Uani 1 1 d . . .
Ru2 Ru 0.439774(18) 0.243252(16) 0.327653(13) 0.02956(6) Uani 1 1 d . . .
Ru1 Ru 0.415857(18) 0.211278(16) 0.165889(13) 0.03125(6) Uani 1 1 d . . .
Si2 Si 0.80931(7) 0.14366(7) 0.20939(6) 0.04305(19) Uani 1 1 d . . .
Si1 Si 0.76683(7) 0.02804(7) 0.09657(5) 0.03913(18) Uani 1 1 d . . .
Sn1 Sn 0.248431(16) 0.360589(14) 0.405701(12) 0.03316(6) Uani 1 1 d . . .
H3B H 0.124(3) 0.202(3) 0.210(2) 0.051(10) Uiso 1 1 d . . .
H3C H 0.184(3) 0.205(3) 0.274(3) 0.058(11) Uiso 1 1 d . . .
H3A H 0.236(3) 0.225(3) 0.175(3) 0.051(11) Uiso 1 1 d . . .
H100 H 0.347(3) 0.260(3) 0.264(2) 0.049(9) Uiso 1 1 d . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

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
C1 C4 1.533(4) . ?
C2 C4 1.527(4) . ?
C3 C4 1.532(5) . ?
C4 N1 1.497(4) . ?
C5 N1 1.318(4) . ?
C5 N2 1.348(4) . ?
C5 C6 1.497(4) . ?
C6 C11 1.388(4) . ?
C6 C7 1.393(4) . ?
C7 C8 1.395(4) . ?
C8 C9 1.376(5) . ?
C9 C10 1.381(5) . ?
C10 C11 1.384(4) . ?
C12 N2 1.478(3) . ?
C12 C13 1.514(4) . ?
C14 Si1 1.868(4) . ?
C15 Si1 1.868(3) . ?
C16 Si1 1.883(4) . ?
C17 Si2 1.859(4) . ?
C18 Si2 1.870(4) . ?
C19 Si2 1.853(5) . ?
C20 C25 1.377(5) . ?
C20 C21 1.396(5) . ?
C20 Sn1 2.161(3) . ?
C21 C22 1.385(5) . ?
C22 C23 1.370(7) . ?
C23 C24 1.373(7) . ?
C24 C25 1.401(5) . ?
C26 C27 1.383(4) . ?
C26 C31 1.399(4) . ?
C26 Sn1 2.160(3) . ?
C27 C28 1.393(5) . ?
C28 C29 1.379(5) . ?
C29 C30 1.368(5) . ?
C30 C31 1.387(5) . ?
C32 C33 1.390(5) . ?
C32 C37 1.396(5) . ?
C32 Sn1 2.166(3) . ?
C33 C34 1.393(5) . ?
C34 C35 1.379(6) . ?
C35 C36 1.369(6) . ?
C36 C37 1.391(5) . ?
C39 C40 1.39(2) . ?
C39 C44 1.43(3) . ?
C39 C38 1.47(2) . ?
C40 C41 1.291(18) . ?
C41 C42 1.39(3) . ?
C42 C43 1.384(19) . ?
C43 C44 1.36(2) . ?
C39A C44A 1.29(6) . ?
C39A C40A 1.45(3) . ?
C39A C38A 1.53(5) . ?
C40A C41A 1.34(4) . ?
C41A C42A 1.53(4) . ?
C42A C43A 1.39(6) . ?
C43A C44A 1.39(4) . ?
C203 O203 1.141(4) . ?
C203 Ru2 1.932(3) . ?
C202 O202 1.132(4) . ?
C202 Ru2 1.937(3) . ?
C201 O201 1.137(4) . ?
C201 Ru2 1.897(3) . ?
C101 O101 1.150(4) . ?
C101 Ru1 1.862(3) . ?
C102 O102 1.149(4) . ?
C102 Ru1 1.865(3) . ?
Ge1 N3 1.852(2) . ?
Ge1 N2 1.926(2) . ?
Ge1 Ru1 2.3713(4) . ?
Ge1 Ru2 2.4949(4) . ?
N1 Ru1 2.131(2) . ?
N3 Si2 1.752(3) . ?
N3 Si1 1.760(2) . ?
Ru2 Sn1 2.6906(3) . ?
Ru2 Ru1 3.0453(3) . ?

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
N1 C4 C2 110.3(2) . . ?
N1 C4 C3 105.0(2) . . ?
C2 C4 C3 109.3(3) . . ?
N1 C4 C1 115.3(2) . . ?
C2 C4 C1 110.0(3) . . ?
C3 C4 C1 106.6(3) . . ?
N1 C5 N2 119.3(2) . . ?
N1 C5 C6 123.3(2) . . ?
N2 C5 C6 117.2(2) . . ?
C11 C6 C7 119.6(3) . . ?
C11 C6 C5 122.7(2) . . ?
C7 C6 C5 117.7(3) . . ?
C6 C7 C8 119.6(3) . . ?
C9 C8 C7 120.2(3) . . ?
C8 C9 C10 120.2(3) . . ?
C9 C10 C11 120.2(3) . . ?
C10 C11 C6 120.2(3) . . ?
N2 C12 C13 112.9(2) . . ?
C25 C20 C21 117.8(3) . . ?
C25 C20 Sn1 122.3(2) . . ?
C21 C20 Sn1 119.8(2) . . ?
C22 C21 C20 121.4(4) . . ?
C23 C22 C21 119.5(4) . . ?
C22 C23 C24 120.7(4) . . ?
C23 C24 C25 119.4(4) . . ?
C20 C25 C24 121.2(4) . . ?
C27 C26 C31 117.8(3) . . ?
C27 C26 Sn1 121.8(2) . . ?
C31 C26 Sn1 120.4(2) . . ?
C26 C27 C28 121.4(3) . . ?
C29 C28 C27 119.6(3) . . ?
C30 C29 C28 120.0(3) . . ?
C29 C30 C31 120.5(3) . . ?
C30 C31 C26 120.7(3) . . ?
C33 C32 C37 117.1(3) . . ?
C33 C32 Sn1 119.9(2) . . ?
C37 C32 Sn1 122.9(3) . . ?
C32 C33 C34 121.6(3) . . ?
C35 C34 C33 119.8(4) . . ?
C36 C35 C34 120.0(4) . . ?
C35 C36 C37 120.1(4) . . ?
C36 C37 C32 121.4(4) . . ?
C40 C39 C44 114.7(16) . . ?
C40 C39 C38 122.7(15) . . ?
C44 C39 C38 122.3(16) . . ?
C41 C40 C39 122.8(13) . . ?
C40 C41 C42 123.6(14) . . ?
C43 C42 C41 116.3(12) . . ?
C44 C43 C42 120.5(11) . . ?
C43 C44 C39 121.7(15) . . ?
C44A C39A C40A 117(4) . . ?
C44A C39A C38A 131(3) . . ?
C40A C39A C38A 112(4) . . ?
C41A C40A C39A 121(3) . . ?
C40A C41A C42A 123(3) . . ?
C43A C42A C41A 108(3) . . ?
C44A C43A C42A 127(4) . . ?
C39A C44A C43A 123(3) . . ?
O203 C203 Ru2 177.9(3) . . ?
O202 C202 Ru2 178.5(3) . . ?
O201 C201 Ru2 177.7(3) . . ?
O101 C101 Ru1 176.7(3) . . ?
O102 C102 Ru1 176.5(4) . . ?
N3 Ge1 N2 102.02(10) . . ?
N3 Ge1 Ru1 129.40(8) . . ?
N2 Ge1 Ru1 95.63(7) . . ?
N3 Ge1 Ru2 136.49(7) . . ?
N2 Ge1 Ru2 109.02(7) . . ?
Ru1 Ge1 Ru2 77.436(12) . . ?
C5 N1 C4 126.1(2) . . ?
C5 N1 Ru1 122.66(18) . . ?
C4 N1 Ru1 111.00(17) . . ?
C5 N2 C12 122.4(2) . . ?
C5 N2 Ge1 117.99(18) . . ?
C12 N2 Ge1 119.23(17) . . ?
Si2 N3 Si1 120.58(14) . . ?
Si2 N3 Ge1 120.64(13) . . ?
Si1 N3 Ge1 118.71(13) . . ?
C201 Ru2 C203 91.53(13) . . ?
C201 Ru2 C202 89.63(14) . . ?
C203 Ru2 C202 171.15(12) . . ?
C201 Ru2 Ge1 98.83(10) . . ?
C203 Ru2 Ge1 90.12(8) . . ?
C202 Ru2 Ge1 98.37(9) . . ?
C201 Ru2 Sn1 101.88(10) . . ?
C203 Ru2 Sn1 84.02(8) . . ?
C202 Ru2 Sn1 87.15(9) . . ?
Ge1 Ru2 Sn1 158.598(12) . . ?
C201 Ru2 Ru1 147.79(10) . . ?
C203 Ru2 Ru1 93.76(8) . . ?
C202 Ru2 Ru1 89.90(10) . . ?
Ge1 Ru2 Ru1 49.467(9) . . ?
Sn1 Ru2 Ru1 110.264(10) . . ?
C101 Ru1 C102 85.92(15) . . ?
C101 Ru1 N1 93.35(12) . . ?
C102 Ru1 N1 176.64(13) . . ?
C101 Ru1 Ge1 104.57(10) . . ?
C102 Ru1 Ge1 95.27(11) . . ?
N1 Ru1 Ge1 81.73(6) . . ?
C101 Ru1 Ru2 156.65(10) . . ?
C102 Ru1 Ru2 89.34(11) . . ?
N1 Ru1 Ru2 90.05(6) . . ?
Ge1 Ru1 Ru2 53.096(9) . . ?
N3 Si2 C19 110.31(16) . . ?
N3 Si2 C17 114.09(16) . . ?
C19 Si2 C17 108.6(2) . . ?
N3 Si2 C18 112.17(16) . . ?
C19 Si2 C18 109.0(3) . . ?
C17 Si2 C18 102.3(2) . . ?
N3 Si1 C14 109.08(15) . . ?
N3 Si1 C15 115.48(13) . . ?
C14 Si1 C15 106.77(16) . . ?
N3 Si1 C16 111.07(16) . . ?
C14 Si1 C16 111.45(19) . . ?
C15 Si1 C16 102.82(17) . . ?
C26 Sn1 C20 105.34(11) . . ?
C26 Sn1 C32 103.71(12) . . ?
C20 Sn1 C32 104.80(12) . . ?
C26 Sn1 Ru2 112.68(8) . . ?
C20 Sn1 Ru2 115.38(8) . . ?
C32 Sn1 Ru2 113.82(8) . . ?

_diffrn_measured_fraction_theta_max 0.991
_diffrn_reflns_theta_full        67.98
_diffrn_measured_fraction_theta_full 0.991
_refine_diff_density_max         0.627
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.067
_database_code_depnum_ccdc_archive 'CCDC 1001195'
