# Electronic Supplementary Material (ESI) for Dalton Transactions
# This journal is © The Royal Society of Chemistry 2012


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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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#  except for the purpose of generating routine backup copies 
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data_xn12059-dp216
_database_code_depnum_ccdc_archive 'CCDC 901725'
#TrackingRef 'xn12059-dp216.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H37 Ge N3 O7 Ru2 Si2'
_chemical_formula_sum            'C26 H37 Ge N3 O7 Ru2 Si2'
_chemical_formula_weight         834.50

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                   9.7198(4)
_cell_length_b                   12.3160(6)
_cell_length_c                   15.8797(7)
_cell_angle_alpha                73.393(4)
_cell_angle_beta                 75.016(4)
_cell_angle_gamma                71.092(4)
_cell_volume                     1694.24(13)
_cell_formula_units_Z            2
_cell_measurement_temperature    123(2)
_cell_measurement_reflns_used    7302
_cell_measurement_theta_min      3.8869
_cell_measurement_theta_max      74.4288

_exptl_crystal_description       fragment
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.4369
_exptl_crystal_size_mid          0.0925
_exptl_crystal_size_min          0.0864
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.636
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             836
_exptl_absorpt_coefficient_mu    9.224
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.24493
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      123(2)
_diffrn_radiation_wavelength     1.54180
_diffrn_radiation_type           CuK\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            11248
_diffrn_reflns_av_R_equivalents  0.0305
_diffrn_reflns_av_sigmaI/netI    0.0380
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_theta_min         3.89
_diffrn_reflns_theta_max         69.96
_reflns_number_total             6297
_reflns_number_gt                5468
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'X-SEED (Barbour, 1999)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0429P)^2^+4.2117P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         6297
_refine_ls_number_parameters     548
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0522
_refine_ls_R_factor_gt           0.0452
_refine_ls_wR_factor_ref         0.1133
_refine_ls_wR_factor_gt          0.1073
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_restrained_S_all      1.047
_refine_ls_shift/su_max          0.000
_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
C3 C 0.3818(8) 1.1058(5) 0.2677(5) 0.0677(18) Uani 1 1 d . . .
H3 H 0.3177 1.1733 0.2307 0.081 Uiso 1 1 calc R A 1
C4 C 0.2145(5) 1.0223(4) 0.2340(3) 0.0400(10) Uani 1 1 d . . .
C5 C 0.1308(5) 1.1460(4) 0.1953(4) 0.0467(12) Uani 1 1 d . C .
C6 C 0.1672(6) 1.1899(4) 0.1040(4) 0.0550(14) Uani 1 1 d . . .
H6 H 0.2467 1.1444 0.0686 0.066 Uiso 1 1 calc R C .
C7 C 0.0870(7) 1.3009(5) 0.0644(6) 0.077(2) Uani 1 1 d . C .
H7 H 0.1119 1.3314 0.0020 0.093 Uiso 1 1 calc R . .
C8 C -0.0277(7) 1.3655(5) 0.1158(7) 0.091(3) Uani 1 1 d . . .
H8 H -0.0841 1.4402 0.0886 0.109 Uiso 1 1 calc R C .
C9 C -0.0624(7) 1.3235(5) 0.2065(7) 0.084(2) Uani 1 1 d . C .
H9 H -0.1418 1.3700 0.2413 0.101 Uiso 1 1 calc R . .
C10 C 0.0172(6) 1.2139(5) 0.2478(5) 0.0661(16) Uani 1 1 d . . .
H10 H -0.0055 1.1858 0.3106 0.079 Uiso 1 1 calc R C .
C11 C 0.0145(6) 0.9550(5) 0.2089(6) 0.074(2) Uani 1 1 d . . .
H11 H -0.0378 1.0378 0.2147 0.088 Uiso 1 1 calc R B 1
Ge1 Ge 0.27204(5) 0.77836(4) 0.27984(4) 0.04383(16) Uani 1 1 d . . .
N2 N 0.1630(4) 0.9354(3) 0.2309(3) 0.0421(9) Uani 1 1 d . C .
N1 N 0.3356(5) 1.0013(3) 0.2662(3) 0.0443(9) Uani 1 1 d . C .
Ru1 Ru 0.47635(4) 0.82237(3) 0.30818(2) 0.04127(12) Uani 1 1 d . C .
C101 C 0.5848(6) 0.6643(5) 0.3319(4) 0.0581(15) Uani 1 1 d . . .
C103 C 0.6011(5) 0.8460(4) 0.1957(3) 0.0383(10) Uani 1 1 d . . .
C102 C 0.5676(9) 0.8490(8) 0.3955(5) 0.093(2) Uani 1 1 d . . .
O102 O 0.6299(8) 0.8485(9) 0.4476(4) 0.151(3) Uani 1 1 d . C .
O101 O 0.6563(4) 0.5685(4) 0.3423(3) 0.0788(14) Uani 1 1 d . C .
O103 O 0.6825(4) 0.8540(4) 0.1299(3) 0.0581(10) Uani 1 1 d . C .
C1 C 0.528(2) 1.1102(15) 0.2238(16) 0.079(6) Uani 0.67(2) 1 d P C 1
H1A H 0.5402 1.1869 0.2213 0.119 Uiso 0.67(2) 1 calc PR C 1
H1B H 0.5442 1.0989 0.1630 0.119 Uiso 0.67(2) 1 calc PR C 1
H1C H 0.5989 1.0478 0.2569 0.119 Uiso 0.67(2) 1 calc PR C 1
C2 C 0.330(3) 1.1293(15) 0.3584(11) 0.152(10) Uani 0.67(2) 1 d P C 1
H2A H 0.3665 1.0579 0.4022 0.228 Uiso 0.67(2) 1 calc PR C 1
H2B H 0.2215 1.1532 0.3713 0.228 Uiso 0.67(2) 1 calc PR C 1
H2C H 0.3673 1.1926 0.3619 0.228 Uiso 0.67(2) 1 calc PR C 1
C12 C -0.0793(13) 0.8907(17) 0.2674(15) 0.120(10) Uani 0.60(2) 1 d P C 1
H12A H -0.1768 0.9200 0.2500 0.180 Uiso 0.60(2) 1 calc PR C 1
H12B H -0.0893 0.8994 0.3283 0.180 Uiso 0.60(2) 1 calc PR C 1
H12C H -0.0381 0.8075 0.2652 0.180 Uiso 0.60(2) 1 calc PR C 1
C13 C 0.0210(15) 0.9594(14) 0.1059(11) 0.074(5) Uani 0.60(2) 1 d P C 1
H13A H -0.0794 0.9754 0.0954 0.111 Uiso 0.60(2) 1 calc PR C 1
H13B H 0.0810 0.8836 0.0919 0.111 Uiso 0.60(2) 1 calc PR C 1
H13C H 0.0654 1.0219 0.0676 0.111 Uiso 0.60(2) 1 calc PR C 1
N3 N 0.2577(6) 0.6868(5) 0.2196(5) 0.0288(13) Uiso 0.609(10) 1 d P C 1
Si2 Si 0.1448(3) 0.5900(2) 0.2528(3) 0.0412(10) Uani 0.609(10) 1 d P C 1
Si1 Si 0.3800(4) 0.6905(4) 0.1166(3) 0.0400(8) Uani 0.609(10) 1 d P C 1
C14 C 0.3219(13) 0.6404(13) 0.0337(9) 0.065(3) Uani 0.609(10) 1 d P C 1
H14A H 0.3085 0.5614 0.0598 0.098 Uiso 0.609(10) 1 calc PR C 1
H14B H 0.3984 0.6387 -0.0204 0.098 Uiso 0.609(10) 1 calc PR C 1
H14C H 0.2285 0.6950 0.0184 0.098 Uiso 0.609(10) 1 calc PR C 1
C15 C 0.393(2) 0.8471(19) 0.0595(13) 0.050(5) Uani 0.609(10) 1 d P C 1
H15A H 0.3041 0.8919 0.0340 0.074 Uiso 0.609(10) 1 calc PR C 1
H15B H 0.4805 0.8443 0.0117 0.074 Uiso 0.609(10) 1 calc PR C 1
H15C H 0.4015 0.8854 0.1035 0.074 Uiso 0.609(10) 1 calc PR C 1
C16 C 0.5832(16) 0.6109(11) 0.1088(12) 0.065(4) Uani 0.609(10) 1 d P C 1
H16A H 0.6274 0.6411 0.1431 0.098 Uiso 0.609(10) 1 calc PR C 1
H16B H 0.6328 0.6239 0.0460 0.098 Uiso 0.609(10) 1 calc PR C 1
H16C H 0.5949 0.5265 0.1331 0.098 Uiso 0.609(10) 1 calc PR C 1
C17 C 0.2601(12) 0.4361(8) 0.2523(9) 0.059(3) Uani 0.609(10) 1 d P C 1
H17A H 0.3214 0.4328 0.1930 0.089 Uiso 0.609(10) 1 calc PR C 1
H17B H 0.1956 0.3840 0.2667 0.089 Uiso 0.609(10) 1 calc PR C 1
H17C H 0.3240 0.4107 0.2970 0.089 Uiso 0.609(10) 1 calc PR C 1
C18 C 0.0307(13) 0.5878(10) 0.3680(8) 0.067(3) Uani 0.609(10) 1 d P C 1
H18A H 0.0954 0.5502 0.4124 0.100 Uiso 0.609(10) 1 calc PR C 1
H18B H -0.0415 0.5433 0.3776 0.100 Uiso 0.609(10) 1 calc PR C 1
H18C H -0.0215 0.6686 0.3741 0.100 Uiso 0.609(10) 1 calc PR C 1
C19 C 0.0061(13) 0.6313(10) 0.1790(9) 0.060(3) Uani 0.609(10) 1 d P C 1
H19A H -0.0421 0.7160 0.1705 0.090 Uiso 0.609(10) 1 calc PR C 1
H19B H -0.0683 0.5876 0.2068 0.090 Uiso 0.609(10) 1 calc PR C 1
H19C H 0.0560 0.6121 0.1210 0.090 Uiso 0.609(10) 1 calc PR C 1
Ru2 Ru 0.24988(18) 0.74974(15) 0.45399(11) 0.0416(4) Uani 0.581(8) 1 d P C 1
C202 C 0.0566(12) 0.7264(9) 0.5085(7) 0.046(2) Uani 0.581(8) 1 d P C 1
O202 O -0.0583(9) 0.7188(8) 0.5438(5) 0.062(2) Uani 0.581(8) 1 d P C 1
C201 C 0.1769(11) 0.9116(10) 0.4427(7) 0.051(2) Uani 0.581(8) 1 d P C 1
O201 O 0.1299(9) 1.0083(7) 0.4416(6) 0.076(3) Uani 0.581(8) 1 d P C 1
C203 C 0.3326(10) 0.5867(10) 0.4525(7) 0.045(2) Uani 0.581(8) 1 d P C 1
O203 O 0.3801(10) 0.4869(7) 0.4532(7) 0.059(2) Uani 0.581(8) 1 d P C 1
C204 C 0.3436(18) 0.752(2) 0.5502(13) 0.112(8) Uani 0.581(8) 1 d P C 1
O204 O 0.3947(12) 0.7414(16) 0.6081(7) 0.126(5) Uani 0.581(8) 1 d P C 1
C1A C 0.535(4) 1.104(3) 0.1943(16) 0.053(8) Uani 0.33(2) 1 d P C 2
H1A1 H 0.5629 1.1762 0.1862 0.079 Uiso 0.33(2) 1 calc PR C 2
H1A2 H 0.5197 1.0982 0.1372 0.079 Uiso 0.33(2) 1 calc PR C 2
H1A3 H 0.6137 1.0357 0.2155 0.079 Uiso 0.33(2) 1 calc PR C 2
C2A C 0.4290(15) 1.0978(5) 0.3613(5) 0.049(6) Uani 0.33(2) 1 d P C 2
H2A1 H 0.5302 1.0474 0.3625 0.073 Uiso 0.33(2) 1 calc PR C 2
H2A2 H 0.3612 1.0643 0.4118 0.073 Uiso 0.33(2) 1 calc PR C 2
H2A3 H 0.4240 1.1767 0.3658 0.073 Uiso 0.33(2) 1 calc PR C 2
Si2A Si 0.1758(5) 0.5871(3) 0.1997(5) 0.0571(18) Uani 0.391(10) 1 d PR C 2
Si1A Si 0.4040(5) 0.7115(5) 0.0837(5) 0.0433(14) Uani 0.391(10) 1 d PR C 2
N3A N 0.2704(5) 0.6934(3) 0.1828(5) 0.034(2) Uiso 0.391(10) 1 d PR C 2
C12A C -0.1042(15) 0.968(2) 0.3059(13) 0.071(7) Uani 0.40(2) 1 d P C 2
H12D H -0.1299 1.0488 0.3132 0.106 Uiso 0.40(2) 1 calc PR C 2
H12E H -0.0577 0.9138 0.3557 0.106 Uiso 0.40(2) 1 calc PR C 2
H12F H -0.1940 0.9484 0.3053 0.106 Uiso 0.40(2) 1 calc PR C 2
C13A C -0.0274(15) 1.0242(18) 0.1366(10) 0.051(5) Uani 0.40(2) 1 d P C 2
H13D H -0.1091 1.0035 0.1253 0.076 Uiso 0.40(2) 1 calc PR C 2
H13E H 0.0556 1.0158 0.0863 0.076 Uiso 0.40(2) 1 calc PR C 2
H13F H -0.0604 1.1058 0.1435 0.076 Uiso 0.40(2) 1 calc PR C 2
C14A C 0.361(3) 0.6748(17) -0.0122(14) 0.075(6) Uani 0.391(10) 1 d P C 2
H14D H 0.3658 0.5910 0.0020 0.112 Uiso 0.391(10) 1 calc PR C 2
H14E H 0.4337 0.6924 -0.0663 0.112 Uiso 0.391(10) 1 calc PR C 2
H14F H 0.2617 0.7219 -0.0223 0.112 Uiso 0.391(10) 1 calc PR C 2
C15A C 0.411(4) 0.863(3) 0.039(2) 0.054(8) Uani 0.391(10) 1 d P C 2
H15D H 0.3305 0.9055 0.0053 0.080 Uiso 0.391(10) 1 calc PR C 2
H15E H 0.5061 0.8646 -0.0011 0.080 Uiso 0.391(10) 1 calc PR C 2
H15F H 0.3999 0.9000 0.0879 0.080 Uiso 0.391(10) 1 calc PR C 2
C16A C 0.569(3) 0.5844(19) 0.1361(14) 0.047(5) Uiso 0.391(10) 1 d P C 2
H16D H 0.6001 0.6122 0.1781 0.071 Uiso 0.391(10) 1 calc PR C 2
H16E H 0.6524 0.5644 0.0881 0.071 Uiso 0.391(10) 1 calc PR C 2
H16F H 0.5340 0.5145 0.1676 0.071 Uiso 0.391(10) 1 calc PR C 2
C17A C 0.309(3) 0.4414(13) 0.182(2) 0.098(8) Uani 0.391(10) 1 d P C 2
H17D H 0.3669 0.4520 0.1210 0.147 Uiso 0.391(10) 1 calc PR C 2
H17E H 0.2535 0.3843 0.1901 0.147 Uiso 0.391(10) 1 calc PR C 2
H17F H 0.3759 0.4125 0.2250 0.147 Uiso 0.391(10) 1 calc PR C 2
C18A C 0.069(2) 0.551(2) 0.3161(13) 0.081(6) Uani 0.391(10) 1 d P C 2
H18D H 0.1365 0.5187 0.3587 0.122 Uiso 0.391(10) 1 calc PR C 2
H18E H 0.0178 0.4921 0.3194 0.122 Uiso 0.391(10) 1 calc PR C 2
H18F H -0.0046 0.6221 0.3307 0.122 Uiso 0.391(10) 1 calc PR C 2
C19A C 0.038(2) 0.6352(18) 0.1216(15) 0.072(5) Uani 0.391(10) 1 d P C 2
H19D H -0.0413 0.7031 0.1373 0.107 Uiso 0.391(10) 1 calc PR C 2
H19E H -0.0035 0.5703 0.1275 0.107 Uiso 0.391(10) 1 calc PR C 2
H19F H 0.0887 0.6569 0.0599 0.107 Uiso 0.391(10) 1 calc PR C 2
Ru2A Ru 0.2204(3) 0.7277(3) 0.4332(2) 0.0533(9) Uani 0.419(8) 1 d P C 2
O2A2 O -0.0748(14) 0.6683(14) 0.5017(12) 0.104(6) Uani 0.419(8) 1 d P C 2
C2A2 C 0.039(2) 0.6870(17) 0.4749(13) 0.073(5) Uani 0.419(8) 1 d P C 2
O2A1 O 0.0204(15) 0.9900(11) 0.4124(7) 0.085(4) Uani 0.419(8) 1 d P C 2
C2A1 C 0.101(2) 0.9000(18) 0.4189(9) 0.075(6) Uani 0.419(8) 1 d P C 2
O2A3 O 0.3808(19) 0.4668(15) 0.4256(10) 0.069(5) Uiso 0.419(8) 1 d P C 2
C2A3 C 0.3292(19) 0.5580(16) 0.4310(12) 0.045(4) Uiso 0.419(8) 1 d P C 2
O2A4 O 0.341(2) 0.7153(17) 0.5946(17) 0.103(6) Uiso 0.419(8) 1 d P C 2
C2A4 C 0.296(3) 0.723(2) 0.5403(17) 0.082(7) Uiso 0.419(8) 1 d P C 2

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C3 0.097(5) 0.041(3) 0.081(5) -0.019(3) -0.047(4) -0.011(3)
C4 0.036(2) 0.032(2) 0.043(3) -0.0114(19) 0.0034(19) -0.0034(18)
C5 0.040(2) 0.027(2) 0.069(3) -0.013(2) -0.007(2) -0.0043(19)
C6 0.046(3) 0.035(2) 0.075(4) 0.001(2) -0.008(3) -0.014(2)
C7 0.064(4) 0.043(3) 0.115(6) 0.022(3) -0.030(4) -0.025(3)
C8 0.054(4) 0.027(3) 0.182(9) 0.005(4) -0.037(5) -0.009(3)
C9 0.053(3) 0.034(3) 0.156(8) -0.032(4) -0.008(4) 0.003(3)
C10 0.055(3) 0.043(3) 0.092(5) -0.028(3) -0.002(3) 0.002(2)
C11 0.026(2) 0.052(3) 0.138(7) -0.019(4) -0.011(3) -0.009(2)
Ge1 0.0280(3) 0.0271(3) 0.0617(4) 0.0002(2) 0.0009(2) -0.00398(19)
N2 0.0298(18) 0.0258(17) 0.061(3) -0.0039(17) -0.0020(17) -0.0054(14)
N1 0.052(2) 0.0324(19) 0.048(2) -0.0160(17) -0.0086(19) -0.0059(17)
Ru1 0.0416(2) 0.0441(2) 0.03186(19) -0.00576(14) -0.00632(15) -0.00599(15)
C101 0.041(3) 0.068(4) 0.046(3) 0.008(3) -0.003(2) -0.011(3)
C103 0.033(2) 0.039(2) 0.040(3) -0.0030(19) -0.007(2) -0.0089(18)
C102 0.085(5) 0.131(7) 0.061(4) -0.027(5) -0.007(4) -0.025(5)
O102 0.134(5) 0.290(10) 0.072(4) -0.070(5) -0.041(4) -0.069(6)
O101 0.048(2) 0.057(2) 0.087(3) 0.020(2) -0.006(2) 0.0093(19)
O103 0.0397(18) 0.072(3) 0.052(2) 0.0017(19) -0.0019(17) -0.0201(17)
C1 0.092(12) 0.046(6) 0.128(17) -0.014(9) -0.072(13) -0.021(6)
C2 0.23(2) 0.123(12) 0.152(15) -0.091(11) -0.115(16) -0.003(14)
C12 0.036(6) 0.088(12) 0.19(2) 0.057(13) -0.028(9) -0.028(7)
C13 0.061(7) 0.069(8) 0.109(11) -0.012(8) -0.044(8) -0.025(6)
Si2 0.0420(13) 0.0311(11) 0.054(2) -0.0103(12) -0.0082(13) -0.0138(9)
Si1 0.0366(13) 0.0479(18) 0.0402(19) -0.0190(15) -0.0017(13) -0.0137(11)
C14 0.059(6) 0.086(9) 0.064(8) -0.034(7) -0.002(6) -0.028(6)
C15 0.043(6) 0.090(13) 0.023(7) -0.015(7) -0.005(6) -0.027(6)
C16 0.057(7) 0.037(7) 0.093(12) -0.025(7) -0.009(8) 0.006(5)
C17 0.067(6) 0.034(5) 0.080(8) -0.025(5) -0.006(6) -0.012(4)
C18 0.068(7) 0.071(7) 0.070(8) -0.019(6) 0.014(6) -0.047(5)
C19 0.057(6) 0.051(5) 0.085(8) -0.015(6) -0.029(7) -0.019(5)
Ru2 0.0380(5) 0.0544(5) 0.0294(5) -0.0116(4) -0.0017(3) -0.0100(3)
C202 0.049(6) 0.040(5) 0.037(5) 0.001(4) -0.006(5) -0.002(4)
O202 0.047(4) 0.071(5) 0.051(4) -0.012(4) 0.013(3) -0.015(3)
C201 0.034(5) 0.075(7) 0.037(5) -0.026(5) 0.012(4) -0.009(5)
O201 0.064(5) 0.068(5) 0.081(6) -0.040(4) 0.028(4) -0.011(4)
C203 0.038(5) 0.057(6) 0.037(5) -0.010(5) -0.010(4) -0.008(4)
O203 0.058(4) 0.032(4) 0.060(5) 0.003(4) -0.014(4) 0.013(3)
C204 0.060(9) 0.19(2) 0.068(11) -0.008(13) 0.002(8) -0.038(11)
O204 0.088(7) 0.260(16) 0.058(6) -0.090(8) -0.012(5) -0.037(9)
C1A 0.086(17) 0.068(14) 0.032(10) -0.025(9) -0.002(11) -0.052(12)
C2A 0.064(12) 0.061(11) 0.039(9) -0.020(8) -0.014(8) -0.030(9)
Si2A 0.075(3) 0.036(2) 0.066(5) 0.000(2) -0.017(3) -0.0281(19)
Si1A 0.049(3) 0.028(2) 0.046(4) -0.014(2) 0.005(2) -0.0073(17)
C12A 0.029(7) 0.067(12) 0.087(13) 0.023(9) -0.005(7) -0.014(7)
C13A 0.032(7) 0.065(11) 0.060(9) -0.013(7) -0.015(6) -0.015(7)
C14A 0.117(18) 0.058(11) 0.062(12) -0.029(10) -0.011(12) -0.032(11)
C15A 0.052(13) 0.035(8) 0.049(18) -0.008(10) 0.009(10) 0.005(9)
C17A 0.127(19) 0.024(7) 0.15(2) -0.017(11) -0.039(18) -0.023(9)
C18A 0.088(13) 0.098(15) 0.065(12) 0.008(11) -0.005(11) -0.065(12)
C19A 0.076(12) 0.063(11) 0.081(14) 0.004(11) -0.028(12) -0.034(9)
Ru2A 0.0565(9) 0.0527(9) 0.0318(10) 0.0084(6) 0.0027(7) -0.0138(7)
O2A2 0.053(7) 0.093(10) 0.110(13) 0.018(9) 0.018(8) -0.005(7)
C2A2 0.056(10) 0.064(11) 0.066(12) 0.005(9) 0.006(9) -0.003(8)
O2A1 0.089(9) 0.089(8) 0.041(5) -0.019(5) 0.002(5) 0.017(7)
C2A1 0.055(9) 0.109(14) 0.025(7) 0.001(7) 0.007(6) 0.003(10)

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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
C3 C1 1.42(2) . ?
C3 C2 1.477(16) . ?
C3 N1 1.502(7) . ?
C3 C2A 1.633(9) . ?
C3 C1A 1.63(3) . ?
C4 N1 1.325(6) . ?
C4 N2 1.337(6) . ?
C4 C5 1.511(6) . ?
C5 C6 1.388(8) . ?
C5 C10 1.392(7) . ?
C6 C7 1.394(7) . ?
C7 C8 1.367(11) . ?
C8 C9 1.375(12) . ?
C9 C10 1.389(9) . ?
C11 C13A 1.291(15) . ?
C11 C12 1.390(13) . ?
C11 N2 1.500(7) . ?
C11 C13 1.607(17) . ?
C11 C12A 1.68(2) . ?
Ge1 N3 1.731(6) . ?
Ge1 N2 1.925(4) . ?
Ge1 N3A 2.101(6) . ?
Ge1 Ru2A 2.296(3) . ?
Ge1 Ru1 2.3957(7) . ?
Ge1 Ru2 2.646(2) . ?
N1 Ru1 2.202(4) . ?
Ru1 C101 1.871(6) . ?
Ru1 C103 1.886(5) . ?
Ru1 C102 1.975(8) . ?
Ru1 Ru2 2.9093(13) . ?
Ru1 Ru2A 3.081(3) . ?
C101 O101 1.148(7) . ?
C103 O103 1.137(6) . ?
C102 O102 1.143(9) . ?
N3 Si1 1.754(7) . ?
N3 Si2 1.759(6) . ?
Si2 C17 1.864(9) . ?
Si2 C19 1.866(11) . ?
Si2 C18 1.875(11) . ?
Si1 C14 1.872(12) . ?
Si1 C16 1.889(14) . ?
Si1 C15 1.91(2) . ?
Ru2 C201 1.858(11) . ?
Ru2 C203 1.911(12) . ?
Ru2 C202 1.931(11) . ?
Ru2 C204 1.98(2) . ?
C202 O202 1.133(13) . ?
C201 O201 1.125(12) . ?
C203 O203 1.162(15) . ?
C204 O204 1.11(2) . ?
Si2A N3A 1.7566(14) . ?
Si2A C18A 1.880(18) . ?
Si2A C17A 1.890(19) . ?
Si2A C19A 1.90(2) . ?
Si1A N3A 1.7718(10) . ?
Si1A C15A 1.81(3) . ?
Si1A C14A 1.882(19) . ?
Si1A C16A 2.01(2) . ?
Ru2A C2A2 1.89(2) . ?
Ru2A C2A4 2.00(2) . ?
Ru2A C2A3 2.019(19) . ?
Ru2A C2A1 2.042(19) . ?
O2A2 C2A2 1.15(2) . ?
O2A1 C2A1 1.124(19) . ?
O2A3 C2A3 1.09(2) . ?
O2A4 C2A4 1.03(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
C1 C3 C2 118.4(11) . . ?
C1 C3 N1 116.7(9) . . ?
C2 C3 N1 108.6(9) . . ?
C1 C3 C2A 88.1(9) . . ?
C2 C3 C2A 34.0(10) . . ?
N1 C3 C2A 114.4(5) . . ?
C1 C3 C1A 16.3(12) . . ?
C2 C3 C1A 134.6(13) . . ?
N1 C3 C1A 105.8(11) . . ?
C2A C3 C1A 103.9(12) . . ?
N1 C4 N2 122.0(4) . . ?
N1 C4 C5 121.4(4) . . ?
N2 C4 C5 116.5(4) . . ?
C6 C5 C10 120.2(5) . . ?
C6 C5 C4 117.9(4) . . ?
C10 C5 C4 121.9(5) . . ?
C5 C6 C7 120.0(6) . . ?
C8 C7 C6 119.5(7) . . ?
C7 C8 C9 120.8(6) . . ?
C8 C9 C10 120.8(6) . . ?
C9 C10 C5 118.7(7) . . ?
C13A C11 C12 118.6(10) . . ?
C13A C11 N2 123.4(7) . . ?
C12 C11 N2 118.0(8) . . ?
C13A C11 C13 37.5(8) . . ?
C12 C11 C13 112.9(13) . . ?
N2 C11 C13 113.5(6) . . ?
C13A C11 C12A 117.4(11) . . ?
C12 C11 C12A 44.7(10) . . ?
N2 C11 C12A 104.2(8) . . ?
C13 C11 C12A 142.3(8) . . ?
N3 Ge1 N2 107.1(2) . . ?
N3 Ge1 N3A 12.3(2) . . ?
N2 Ge1 N3A 99.31(17) . . ?
N3 Ge1 Ru2A 118.9(3) . . ?
N2 Ge1 Ru2A 113.30(14) . . ?
N3A Ge1 Ru2A 131.3(2) . . ?
N3 Ge1 Ru1 133.80(18) . . ?
N2 Ge1 Ru1 99.25(12) . . ?
N3A Ge1 Ru1 128.50(14) . . ?
Ru2A Ge1 Ru1 82.06(15) . . ?
N3 Ge1 Ru2 130.4(2) . . ?
N2 Ge1 Ru2 109.76(14) . . ?
N3A Ge1 Ru2 142.53(14) . . ?
Ru2A Ge1 Ru2 12.62(11) . . ?
Ru1 Ge1 Ru2 70.28(6) . . ?
C4 N2 C11 123.6(4) . . ?
C4 N2 Ge1 115.9(3) . . ?
C11 N2 Ge1 119.5(3) . . ?
C4 N1 C3 117.4(4) . . ?
C4 N1 Ru1 122.7(3) . . ?
C3 N1 Ru1 119.8(3) . . ?
C101 Ru1 C103 89.5(2) . . ?
C101 Ru1 C102 88.5(3) . . ?
C103 Ru1 C102 107.5(3) . . ?
C101 Ru1 N1 171.5(2) . . ?
C103 Ru1 N1 87.91(17) . . ?
C102 Ru1 N1 100.0(3) . . ?
C101 Ru1 Ge1 93.39(19) . . ?
C103 Ru1 Ge1 104.72(14) . . ?
C102 Ru1 Ge1 147.8(2) . . ?
N1 Ru1 Ge1 79.47(11) . . ?
C101 Ru1 Ru2 85.69(16) . . ?
C103 Ru1 Ru2 162.50(15) . . ?
C102 Ru1 Ru2 89.2(2) . . ?
N1 Ru1 Ru2 94.39(11) . . ?
Ge1 Ru1 Ru2 58.90(6) . . ?
C101 Ru1 Ru2A 83.67(16) . . ?
C103 Ru1 Ru2A 150.61(19) . . ?
C102 Ru1 Ru2A 100.9(3) . . ?
N1 Ru1 Ru2A 94.66(12) . . ?
Ge1 Ru1 Ru2A 47.57(11) . . ?
Ru2 Ru1 Ru2A 11.92(6) . . ?
O101 C101 Ru1 176.4(5) . . ?
O103 C103 Ru1 175.8(4) . . ?
O102 C102 Ru1 170.7(9) . . ?
Ge1 N3 Si1 113.1(3) . . ?
Ge1 N3 Si2 127.5(4) . . ?
Si1 N3 Si2 119.3(4) . . ?
N3 Si2 C17 110.3(4) . . ?
N3 Si2 C19 111.8(4) . . ?
C17 Si2 C19 109.4(5) . . ?
N3 Si2 C18 114.3(4) . . ?
C17 Si2 C18 106.5(5) . . ?
C19 Si2 C18 104.2(6) . . ?
N3 Si1 C14 113.6(4) . . ?
N3 Si1 C16 121.7(6) . . ?
C14 Si1 C16 103.5(6) . . ?
N3 Si1 C15 111.4(7) . . ?
C14 Si1 C15 105.0(7) . . ?
C16 Si1 C15 99.8(8) . . ?
C201 Ru2 C203 174.0(4) . . ?
C201 Ru2 C202 91.7(4) . . ?
C203 Ru2 C202 91.7(4) . . ?
C201 Ru2 C204 86.0(9) . . ?
C203 Ru2 C204 97.7(8) . . ?
C202 Ru2 C204 107.6(6) . . ?
C201 Ru2 Ge1 89.9(3) . . ?
C203 Ru2 Ge1 84.4(3) . . ?
C202 Ru2 Ge1 106.2(3) . . ?
C204 Ru2 Ge1 146.1(5) . . ?
C201 Ru2 Ru1 81.4(3) . . ?
C203 Ru2 Ru1 93.5(3) . . ?
C202 Ru2 Ru1 155.7(3) . . ?
C204 Ru2 Ru1 95.3(5) . . ?
Ge1 Ru2 Ru1 50.82(2) . . ?
O202 C202 Ru2 175.0(11) . . ?
O201 C201 Ru2 175.6(9) . . ?
O203 C203 Ru2 178.4(9) . . ?
O204 C204 Ru2 173(3) . . ?
N3A Si2A C18A 114.7(6) . . ?
N3A Si2A C17A 111.1(7) . . ?
C18A Si2A C17A 104.1(11) . . ?
N3A Si2A C19A 111.5(6) . . ?
C18A Si2A C19A 106.3(9) . . ?
C17A Si2A C19A 108.6(11) . . ?
N3A Si1A C15A 113.2(10) . . ?
N3A Si1A C14A 112.9(7) . . ?
C15A Si1A C14A 102.1(13) . . ?
N3A Si1A C16A 94.3(7) . . ?
C15A Si1A C16A 123.2(13) . . ?
C14A Si1A C16A 111.7(10) . . ?
Si2A N3A Si1A 117.89(12) . . ?
Si2A N3A Ge1 125.63(15) . . ?
Si1A N3A Ge1 115.30(14) . . ?
C2A2 Ru2A C2A4 107.4(10) . . ?
C2A2 Ru2A C2A3 90.2(7) . . ?
C2A4 Ru2A C2A3 93.4(8) . . ?
C2A2 Ru2A C2A1 87.7(8) . . ?
C2A4 Ru2A C2A1 95.0(9) . . ?
C2A3 Ru2A C2A1 171.6(7) . . ?
C2A2 Ru2A Ge1 111.4(7) . . ?
C2A4 Ru2A Ge1 140.9(7) . . ?
C2A3 Ru2A Ge1 90.5(5) . . ?
C2A1 Ru2A Ge1 82.8(4) . . ?
C2A2 Ru2A Ru1 161.3(6) . . ?
C2A4 Ru2A Ru1 90.6(7) . . ?
C2A3 Ru2A Ru1 93.8(5) . . ?
C2A1 Ru2A Ru1 85.7(5) . . ?
Ge1 Ru2A Ru1 50.37(4) . . ?
O2A2 C2A2 Ru2A 176(2) . . ?
O2A1 C2A1 Ru2A 172(2) . . ?
O2A3 C2A3 Ru2A 174.5(16) . . ?
O2A4 C2A4 Ru2A 176(2) . . ?

_diffrn_measured_fraction_theta_max 0.980
_diffrn_reflns_theta_full        69.96
_diffrn_measured_fraction_theta_full 0.980
_refine_diff_density_max         1.094
_refine_diff_density_min         -1.769
_refine_diff_density_rms         0.092


data_xn12108-dp313a
_database_code_depnum_ccdc_archive 'CCDC 901726'
#TrackingRef 'xn12108-dp313a.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C25 H37 Co2 Ge N3 O6 Si2'
_chemical_formula_sum            'C25 H37 Co2 Ge N3 O6 Si2'
_chemical_formula_weight         722.21

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'
Co Co -2.3653 3.6143 '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'
Si Si 0.2541 0.3302 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           MONOCLINIC
_symmetry_space_group_name_H-M   'P 21/n'
_space_group_name_Hall           '-P 2yn'

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'

_cell_length_a                   12.10990(10)
_cell_length_b                   15.1369(2)
_cell_length_c                   17.7003(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 98.6140(10)
_cell_angle_gamma                90.00
_cell_volume                     3207.98(6)
_cell_formula_units_Z            4
_cell_measurement_temperature    134(2)
_cell_measurement_reflns_used    8108
_cell_measurement_theta_min      2.9169
_cell_measurement_theta_max      74.3671

_exptl_crystal_description       fragment
_exptl_crystal_colour            colourless
_exptl_crystal_size_max          0.2175
_exptl_crystal_size_mid          0.1838
_exptl_crystal_size_min          0.1395
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.495
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1480
_exptl_absorpt_coefficient_mu    10.168
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_correction_T_min  0.34622
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_process_details   
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      134(2)
_diffrn_radiation_wavelength     1.54180
_diffrn_radiation_type           CuK\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            12914
_diffrn_reflns_av_R_equivalents  0.0303
_diffrn_reflns_av_sigmaI/netI    0.0359
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_theta_min         3.86
_diffrn_reflns_theta_max         68.00
_reflns_number_total             5801
_reflns_number_gt                5261
_reflns_threshold_expression     >2\s(I)

_computing_data_collection       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_cell_refinement       
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_data_reduction        
;
CrysAlisPro, Agilent Technologies,
Version 1.171.35.19 (release 27-10-2011 CrysAlis171 .NET)
(compiled Oct 27 2011,15:02:11)
;
_computing_structure_solution    'SIR-97 (Giacovazzo, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_molecular_graphics    'X-SEED (Barbour, 1999)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 2008)'


_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2\s(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0318P)^2^+0.5629P] where P=(Fo^2^+2Fc^2^)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5801
_refine_ls_number_parameters     362
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0278
_refine_ls_wR_factor_ref         0.0693
_refine_ls_wR_factor_gt          0.0663
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_restrained_S_all      1.032
_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 0.4789(2) 0.2708(2) 0.87093(17) 0.0528(8) Uani 1 1 d . . .
H1A H 0.4460 0.2675 0.9182 0.079 Uiso 1 1 calc R . .
H1B H 0.5605 0.2721 0.8834 0.079 Uiso 1 1 calc R . .
H1C H 0.4561 0.2190 0.8392 0.079 Uiso 1 1 calc R . .
C2 C 0.4734(2) 0.4388(2) 0.87069(17) 0.0500(7) Uani 1 1 d . . .
H2A H 0.4440 0.4897 0.8398 0.075 Uiso 1 1 calc R . .
H2B H 0.5551 0.4423 0.8809 0.075 Uiso 1 1 calc R . .
H2C H 0.4435 0.4391 0.9192 0.075 Uiso 1 1 calc R . .
C3 C 0.4387(2) 0.3541(2) 0.82755(14) 0.0392(6) Uani 1 1 d . . .
H3 H 0.4742 0.3550 0.7801 0.047 Uiso 1 1 calc R . .
C4 C 0.28010(19) 0.35594(14) 0.72913(13) 0.0257(4) Uani 1 1 d . . .
C5 C 0.35866(18) 0.36114(16) 0.67162(12) 0.0276(5) Uani 1 1 d . . .
C6 C 0.40696(19) 0.28529(17) 0.64638(14) 0.0337(5) Uani 1 1 d . . .
H6 H 0.3925 0.2295 0.6674 0.040 Uiso 1 1 calc R . .
C7 C 0.4759(2) 0.29076(19) 0.59090(15) 0.0412(6) Uani 1 1 d . . .
H7 H 0.5068 0.2386 0.5727 0.049 Uiso 1 1 calc R . .
C8 C 0.4995(2) 0.3720(2) 0.56214(15) 0.0440(7) Uani 1 1 d . . .
H8 H 0.5463 0.3755 0.5237 0.053 Uiso 1 1 calc R . .
C9 C 0.4559(2) 0.4482(2) 0.58863(15) 0.0420(6) Uani 1 1 d . . .
H9 H 0.4739 0.5041 0.5694 0.050 Uiso 1 1 calc R . .
C10 C 0.3853(2) 0.44272(17) 0.64374(14) 0.0351(5) Uani 1 1 d . . .
H10 H 0.3554 0.4951 0.6623 0.042 Uiso 1 1 calc R . .
C11 C 0.1165(2) 0.34153(19) 0.62211(13) 0.0375(6) Uani 1 1 d . . .
H11 H 0.0342 0.3428 0.6231 0.045 Uiso 1 1 calc R . .
C12 C 0.1404(2) 0.2485(2) 0.59522(17) 0.0519(8) Uani 1 1 d . . .
H12A H 0.2150 0.2469 0.5801 0.078 Uiso 1 1 calc R . .
H12B H 0.0845 0.2325 0.5514 0.078 Uiso 1 1 calc R . .
H12C H 0.1371 0.2064 0.6369 0.078 Uiso 1 1 calc R . .
C13 C 0.1366(3) 0.4115(3) 0.56342(15) 0.0570(9) Uani 1 1 d . . .
H13A H 0.1359 0.4703 0.5865 0.085 Uiso 1 1 calc R . .
H13B H 0.0775 0.4079 0.5192 0.085 Uiso 1 1 calc R . .
H13C H 0.2092 0.4012 0.5469 0.085 Uiso 1 1 calc R . .
C14 C -0.1232(2) 0.2397(2) 0.87052(16) 0.0471(7) Uani 1 1 d . . .
H14A H -0.0481 0.2471 0.8993 0.071 Uiso 1 1 calc R . .
H14B H -0.1535 0.1824 0.8831 0.071 Uiso 1 1 calc R . .
H14C H -0.1718 0.2871 0.8840 0.071 Uiso 1 1 calc R . .
C15 C -0.0251(2) 0.15439(17) 0.73786(16) 0.0404(6) Uani 1 1 d . . .
H15A H -0.0406 0.1459 0.6824 0.061 Uiso 1 1 calc R . .
H15B H -0.0406 0.0995 0.7636 0.061 Uiso 1 1 calc R . .
H15C H 0.0535 0.1706 0.7527 0.061 Uiso 1 1 calc R . .
C16 C -0.2601(2) 0.2214(2) 0.71656(19) 0.0522(7) Uani 1 1 d . . .
H16A H -0.3113 0.2665 0.7307 0.078 Uiso 1 1 calc R . .
H16B H -0.2841 0.1631 0.7318 0.078 Uiso 1 1 calc R . .
H16C H -0.2607 0.2225 0.6611 0.078 Uiso 1 1 calc R . .
C17 C -0.0740(2) 0.52812(18) 0.66992(15) 0.0413(6) Uani 1 1 d . . .
H17A H -0.0623 0.5601 0.7186 0.062 Uiso 1 1 calc R . .
H17B H -0.1183 0.5646 0.6309 0.062 Uiso 1 1 calc R . .
H17C H -0.0015 0.5149 0.6542 0.062 Uiso 1 1 calc R . .
C18 C -0.1912(2) 0.3786(2) 0.58210(15) 0.0433(6) Uani 1 1 d . . .
H18A H -0.1243 0.3704 0.5579 0.065 Uiso 1 1 calc R . .
H18B H -0.2414 0.4208 0.5522 0.065 Uiso 1 1 calc R . .
H18C H -0.2295 0.3219 0.5843 0.065 Uiso 1 1 calc R . .
C19 C -0.2795(2) 0.4502(2) 0.72222(17) 0.0470(7) Uani 1 1 d . . .
H19A H -0.3331 0.4015 0.7124 0.071 Uiso 1 1 calc R . .
H19B H -0.3126 0.5043 0.6982 0.071 Uiso 1 1 calc R . .
H19C H -0.2608 0.4594 0.7775 0.071 Uiso 1 1 calc R . .
C101 C 0.1796(2) 0.22789(16) 0.88825(13) 0.0306(5) Uani 1 1 d . . .
C102 C 0.3060(2) 0.35437(18) 0.97237(14) 0.0367(6) Uani 1 1 d . . .
C103 C 0.1030(2) 0.39141(16) 0.93653(13) 0.0309(5) Uani 1 1 d . . .
C201 C 0.1914(2) 0.55093(17) 0.95019(14) 0.0365(6) Uani 1 1 d . . .
C202 C -0.0268(2) 0.52342(17) 0.86680(13) 0.0345(5) Uani 1 1 d . . .
C203 C 0.1811(2) 0.54875(16) 0.79642(14) 0.0336(5) Uani 1 1 d . . .
Co1 Co 0.20979(3) 0.34187(2) 0.88383(2) 0.02567(9) Uani 1 1 d . . .
Co2 Co 0.11701(3) 0.49425(2) 0.86814(2) 0.02713(9) Uani 1 1 d . . .
Ge1 Ge 0.07944(2) 0.376890(17) 0.779982(13) 0.02335(7) Uani 1 1 d . . .
N1 N 0.31557(15) 0.35098(13) 0.80270(11) 0.0280(4) Uani 1 1 d . . .
N2 N 0.16851(15) 0.36000(13) 0.70253(10) 0.0257(4) Uani 1 1 d . . .
N3 N -0.06535(15) 0.34760(13) 0.73972(11) 0.0278(4) Uani 1 1 d . . .
O101 O 0.16246(17) 0.15502(12) 0.89807(11) 0.0442(4) Uani 1 1 d . . .
O102 O 0.35372(18) 0.36029(16) 1.03246(11) 0.0568(6) Uani 1 1 d . . .
O103 O 0.04887(16) 0.37696(12) 0.98488(10) 0.0412(4) Uani 1 1 d . . .
O201 O 0.23731(19) 0.58656(15) 1.00188(11) 0.0557(5) Uani 1 1 d . . .
O202 O -0.11776(16) 0.54002(15) 0.86847(11) 0.0491(5) Uani 1 1 d . . .
O203 O 0.22245(17) 0.58364(13) 0.75047(11) 0.0475(5) Uani 1 1 d . . .
Si1 Si -0.11581(5) 0.24438(4) 0.76613(4) 0.03086(14) Uani 1 1 d . . .
Si2 Si -0.15001(5) 0.42236(5) 0.68158(4) 0.03180(15) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.0410(15) 0.067(2) 0.0475(16) -0.0024(15) -0.0043(12) 0.0170(14)
C2 0.0421(15) 0.060(2) 0.0452(15) 0.0045(14) -0.0025(12) -0.0197(13)
C3 0.0290(12) 0.0575(18) 0.0304(12) 0.0000(11) 0.0019(10) 0.0005(11)
C4 0.0305(11) 0.0193(11) 0.0283(11) -0.0006(9) 0.0070(9) 0.0011(8)
C5 0.0254(11) 0.0295(12) 0.0283(11) -0.0010(9) 0.0050(9) 0.0013(9)
C6 0.0329(12) 0.0324(13) 0.0359(12) -0.0036(10) 0.0054(10) 0.0033(10)
C7 0.0379(13) 0.0470(16) 0.0392(14) -0.0116(12) 0.0073(11) 0.0100(12)
C8 0.0326(13) 0.069(2) 0.0325(13) -0.0033(13) 0.0126(10) 0.0026(13)
C9 0.0417(14) 0.0479(17) 0.0393(13) 0.0058(12) 0.0148(11) -0.0035(12)
C10 0.0375(13) 0.0325(13) 0.0383(13) 0.0025(10) 0.0151(10) 0.0021(10)
C11 0.0299(12) 0.0586(18) 0.0239(11) -0.0046(11) 0.0032(9) 0.0029(11)
C12 0.0405(15) 0.068(2) 0.0476(16) -0.0279(15) 0.0091(12) -0.0103(14)
C13 0.0497(17) 0.092(3) 0.0285(13) 0.0180(15) 0.0037(12) 0.0102(16)
C14 0.0546(17) 0.0471(17) 0.0435(15) 0.0013(13) 0.0198(13) -0.0123(13)
C15 0.0467(15) 0.0305(14) 0.0435(14) -0.0027(11) 0.0049(12) 0.0000(11)
C16 0.0408(15) 0.0439(17) 0.069(2) 0.0077(15) -0.0001(13) -0.0136(12)
C17 0.0507(16) 0.0344(14) 0.0375(13) 0.0080(11) 0.0024(11) 0.0029(12)
C18 0.0420(14) 0.0502(17) 0.0357(13) -0.0019(12) -0.0005(11) 0.0030(12)
C19 0.0348(14) 0.0452(17) 0.0593(17) -0.0138(14) 0.0013(12) 0.0091(12)
C101 0.0353(12) 0.0299(14) 0.0268(11) 0.0010(9) 0.0053(9) -0.0009(10)
C102 0.0383(13) 0.0393(15) 0.0327(13) 0.0034(11) 0.0058(11) -0.0045(11)
C103 0.0388(13) 0.0273(12) 0.0268(11) -0.0027(9) 0.0056(9) -0.0053(10)
C201 0.0464(14) 0.0300(13) 0.0337(13) 0.0007(11) 0.0077(11) -0.0055(11)
C202 0.0439(15) 0.0330(13) 0.0272(11) -0.0044(10) 0.0074(10) 0.0036(11)
C203 0.0420(13) 0.0248(12) 0.0346(12) -0.0047(10) 0.0078(10) -0.0005(10)
Co1 0.03096(19) 0.0239(2) 0.02210(17) 0.00150(14) 0.00374(14) -0.00174(14)
Co2 0.0336(2) 0.0227(2) 0.02616(18) -0.00259(14) 0.00776(15) -0.00215(14)
Ge1 0.02580(13) 0.02215(13) 0.02269(12) -0.00046(10) 0.00553(9) -0.00051(9)
N1 0.0288(10) 0.0290(10) 0.0263(9) 0.0011(8) 0.0046(8) 0.0019(8)
N2 0.0265(9) 0.0287(10) 0.0218(9) -0.0006(7) 0.0033(7) 0.0013(7)
N3 0.0272(9) 0.0269(10) 0.0296(9) -0.0010(8) 0.0051(7) 0.0010(7)
O101 0.0614(12) 0.0267(10) 0.0435(10) 0.0023(8) 0.0048(9) -0.0044(8)
O102 0.0570(12) 0.0791(16) 0.0305(10) -0.0006(10) -0.0063(9) -0.0067(11)
O103 0.0578(11) 0.0372(10) 0.0330(9) -0.0010(8) 0.0208(8) -0.0055(8)
O201 0.0743(14) 0.0495(13) 0.0401(11) -0.0092(9) -0.0017(10) -0.0191(11)
O202 0.0415(11) 0.0621(14) 0.0437(10) -0.0117(9) 0.0064(8) 0.0132(9)
O203 0.0615(12) 0.0393(11) 0.0461(11) 0.0021(9) 0.0223(9) -0.0114(9)
Si1 0.0300(3) 0.0280(3) 0.0349(3) -0.0006(3) 0.0057(3) -0.0045(2)
Si2 0.0301(3) 0.0314(4) 0.0328(3) -0.0007(3) 0.0011(2) 0.0031(3)

_geom_special_details            
;
All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell s.u.'s are taken
into account individually in the estimation of s.u.'s in distances, angles
and torsion angles; correlations between s.u.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell s.u.'s is used for estimating s.u.'s 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 C3 1.518(4) . ?
C2 C3 1.519(4) . ?
C3 N1 1.491(3) . ?
C4 N1 1.311(3) . ?
C4 N2 1.364(3) . ?
C4 C5 1.496(3) . ?
C5 C10 1.386(3) . ?
C5 C6 1.392(3) . ?
C6 C7 1.383(4) . ?
C7 C8 1.377(4) . ?
C8 C9 1.381(4) . ?
C9 C10 1.392(3) . ?
C11 N2 1.494(3) . ?
C11 C13 1.528(4) . ?
C11 C12 1.528(4) . ?
C14 Si1 1.864(3) . ?
C15 Si1 1.864(3) . ?
C16 Si1 1.867(3) . ?
C17 Si2 1.874(3) . ?
C18 Si2 1.877(3) . ?
C19 Si2 1.869(3) . ?
C101 O101 1.140(3) . ?
C101 Co1 1.768(2) . ?
C102 O102 1.135(3) . ?
C102 Co1 1.817(3) . ?
C103 O103 1.173(3) . ?
C103 Co1 1.862(2) . ?
C103 Co2 1.995(2) . ?
C201 O201 1.133(3) . ?
C201 Co2 1.807(3) . ?
C202 O202 1.135(3) . ?
C202 Co2 1.793(3) . ?
C203 O203 1.146(3) . ?
C203 Co2 1.786(2) . ?
Co1 N1 2.0672(19) . ?
Co1 Ge1 2.2983(4) . ?
Co1 Co2 2.5624(5) . ?
Co2 Ge1 2.3633(4) . ?
Ge1 N3 1.8452(19) . ?
Ge1 N2 1.8845(18) . ?
N3 Si2 1.754(2) . ?
N3 Si1 1.766(2) . ?

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 C3 C1 110.7(2) . . ?
N1 C3 C2 111.4(2) . . ?
C1 C3 C2 113.8(2) . . ?
N1 C4 N2 120.4(2) . . ?
N1 C4 C5 122.1(2) . . ?
N2 C4 C5 117.44(19) . . ?
C10 C5 C6 119.3(2) . . ?
C10 C5 C4 119.7(2) . . ?
C6 C5 C4 121.0(2) . . ?
C7 C6 C5 120.4(2) . . ?
C8 C7 C6 119.8(2) . . ?
C7 C8 C9 120.6(2) . . ?
C8 C9 C10 119.6(3) . . ?
C5 C10 C9 120.2(2) . . ?
N2 C11 C13 115.5(2) . . ?
N2 C11 C12 113.4(2) . . ?
C13 C11 C12 111.7(2) . . ?
O101 C101 Co1 173.8(2) . . ?
O102 C102 Co1 170.6(2) . . ?
O103 C103 Co1 142.7(2) . . ?
O103 C103 Co2 134.1(2) . . ?
Co1 C103 Co2 83.19(9) . . ?
O201 C201 Co2 179.4(3) . . ?
O202 C202 Co2 177.3(2) . . ?
O203 C203 Co2 179.9(3) . . ?
C101 Co1 C102 100.00(11) . . ?
C101 Co1 C103 101.95(11) . . ?
C102 Co1 C103 85.99(11) . . ?
C101 Co1 N1 104.45(9) . . ?
C102 Co1 N1 102.01(10) . . ?
C103 Co1 N1 150.51(9) . . ?
C101 Co1 Ge1 97.97(8) . . ?
C102 Co1 Ge1 160.15(9) . . ?
C103 Co1 Ge1 82.08(7) . . ?
N1 Co1 Ge1 81.48(5) . . ?
C101 Co1 Co2 142.47(8) . . ?
C102 Co1 Co2 102.35(9) . . ?
C103 Co1 Co2 50.62(7) . . ?
N1 Co1 Co2 99.90(6) . . ?
Ge1 Co1 Co2 57.877(13) . . ?
C203 Co2 C202 113.67(12) . . ?
C203 Co2 C201 97.72(11) . . ?
C202 Co2 C201 105.09(12) . . ?
C203 Co2 C103 151.33(11) . . ?
C202 Co2 C103 91.68(11) . . ?
C201 Co2 C103 87.73(10) . . ?
C203 Co2 Ge1 86.50(8) . . ?
C202 Co2 Ge1 94.92(8) . . ?
C201 Co2 Ge1 155.65(9) . . ?
C103 Co2 Ge1 77.80(7) . . ?
C203 Co2 Co1 105.22(8) . . ?
C202 Co2 Co1 129.22(9) . . ?
C201 Co2 Co1 100.51(9) . . ?
C103 Co2 Co1 46.19(7) . . ?
Ge1 Co2 Co1 55.449(13) . . ?
N3 Ge1 N2 107.50(8) . . ?
N3 Ge1 Co1 138.81(6) . . ?
N2 Ge1 Co1 98.70(6) . . ?
N3 Ge1 Co2 120.89(6) . . ?
N2 Ge1 Co2 120.52(6) . . ?
Co1 Ge1 Co2 66.674(15) . . ?
C4 N1 C3 117.12(19) . . ?
C4 N1 Co1 123.30(15) . . ?
C3 N1 Co1 119.57(15) . . ?
C4 N2 C11 125.08(18) . . ?
C4 N2 Ge1 113.60(14) . . ?
C11 N2 Ge1 120.87(15) . . ?
Si2 N3 Si1 122.09(11) . . ?
Si2 N3 Ge1 120.65(11) . . ?
Si1 N3 Ge1 117.18(10) . . ?
N3 Si1 C14 111.45(12) . . ?
N3 Si1 C15 109.53(11) . . ?
C14 Si1 C15 110.84(14) . . ?
N3 Si1 C16 112.15(12) . . ?
C14 Si1 C16 106.16(14) . . ?
C15 Si1 C16 106.57(14) . . ?
N3 Si2 C19 111.73(12) . . ?
N3 Si2 C17 111.24(11) . . ?
C19 Si2 C17 107.72(13) . . ?
N3 Si2 C18 111.89(11) . . ?
C19 Si2 C18 108.65(13) . . ?
C17 Si2 C18 105.30(13) . . ?

_diffrn_measured_fraction_theta_max 0.993
_diffrn_reflns_theta_full        68.00
_diffrn_measured_fraction_theta_full 0.993
_refine_diff_density_max         0.313
_refine_diff_density_min         -0.318
_refine_diff_density_rms         0.052