#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:38:26 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179981 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/75/7027585.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7027585
loop_
_publ_author_name
'King, Lawrence'
'Motevalli, Majid'
'Sullivan, Alice C.'
_publ_section_title
;
 High oxidation state chromium, molybdenum and tungsten imido
 metallasiloxanes
;
_journal_issue                   18
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              3225
_journal_paper_doi               10.1039/a904429i
_journal_year                    1999
_chemical_compound_source        'synthesis as described'
_chemical_formula_moiety         'C56 H58 O8 N2 SI4 CR2'
_chemical_formula_structural     'C56 H58 O8 N2 SI4 CR2'
_chemical_formula_sum            'C63 H66 Cr2 N2 O8 Si4'
_chemical_formula_weight         1195.54
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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_date             1999-05-14T11:28:18-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                68.08(6)
_cell_angle_beta                 111.08(5)
_cell_angle_gamma                89.96(7)
_cell_formula_units_Z            2
_cell_length_a                   13.931(7)
_cell_length_b                   15.948(9)
_cell_length_c                   16.469(8)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      0
_cell_measurement_theta_min      0
_cell_measurement_wavelength     0.71073
_cell_volume                     3129(4)
_computing_cell_refinement       'CAD4 /PC (Enraf Nonius, 1992)'
_computing_data_collection       'CAD4 /PC (Enraf Nonius, 1992)'
_computing_data_reduction        'XCAD4 (Harms & Wocadlo, 1995)'
_computing_molecular_graphics    'Ortep-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX publication routines (Farrugia, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.874
_diffrn_measured_fraction_theta_max 0.874
_diffrn_measurement_device       'Enraf Nonius CAD4'
_diffrn_measurement_method       'non-profiled omega/2theta scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.3003
_diffrn_reflns_av_sigmaI/netI    0.2745
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            9964
_diffrn_reflns_theta_full        24.98
_diffrn_reflns_theta_max         24.98
_diffrn_reflns_theta_min         1.45
_diffrn_standards_decay_%        23
_diffrn_standards_interval_time  60
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    0.477
_exptl_absorpt_correction_T_max  0.8987
_exptl_absorpt_correction_T_min  0.7806
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
;
North A.C.T., Phillips D.C. & Mathews F.S. (1968) Acta. Cryst. A24, 351
        Number of psi-scan sets used was   3
        Theta correction was applied.
        Averaged transmission function was used.
        No Fourier smoothing was applied.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.269
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1252
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.4
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.801
_refine_diff_density_min         -0.443
_refine_diff_density_rms         0.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.946
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     623
_refine_ls_number_reflns         9614
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.946
_refine_ls_R_factor_all          0.2487
_refine_ls_R_factor_gt           0.0716
_refine_ls_shift/su_max          0.441
_refine_ls_shift/su_mean         0.017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1543
_refine_ls_wR_factor_ref         0.2077
_reflns_number_gt                3953
_reflns_number_total             9614
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            904429Isup1.cif
_cod_data_source_block           lkcr4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        3129(3)
_cod_database_code               7027585
#BEGIN Tags that were not found in dictionaries:
_exptl_absorpt_factor_mur        0.106
_exptl_absorpt_correction_t_ave  0.8551
_diffrn_standards_decay_corr_max 1.624
_diffrn_standards_decay_corr_min 0.899
#END Tags that were not found in dictionaries
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
Cr1 Cr 0.38563(10) 0.20024(8) 0.44324(9) 0.0297(4) Uani 1 1 d .
Cr2 Cr 0.11228(10) -0.33970(8) 0.55428(9) 0.0284(4) Uani 1 1 d .
Si1 Si 0.42650(19) 0.05827(15) 0.65475(16) 0.0324(6) Uani 1 1 d .
Si2 Si 0.41973(19) 0.10694(15) 0.31270(16) 0.0322(6) Uani 1 1 d .
Si3 Si 0.07488(18) -0.32498(14) 0.34641(16) 0.0288(6) Uani 1 1 d .
Si4 Si -0.07756(18) -0.46586(14) 0.31699(16) 0.0282(6) Uani 1 1 d .
O1 O 0.3967(5) 0.3046(3) 0.4106(4) 0.0433(16) Uani 1 1 d .
O2 O 0.4478(4) 0.1463(3) 0.3950(4) 0.0308(14) Uani 1 1 d .
O3 O 0.4347(4) 0.1475(4) 0.5687(4) 0.0365(14) Uani 1 1 d .
O4 O 0.5177(4) 0.0319(4) 0.3437(4) 0.0424(15) Uani 1 1 d .
O5 O 0.1002(4) -0.2598(4) 0.5858(4) 0.0419(15) Uani 1 1 d .
O6 O 0.0494(4) -0.4302(3) 0.6026(4) 0.0293(13) Uani 1 1 d .
O7 O 0.0648(4) -0.2968(3) 0.4287(4) 0.0322(14) Uani 1 1 d .
O8 O 0.0218(4) -0.4157(3) 0.3497(4) 0.0352(14) Uani 1 1 d .
N1 N 0.2623(5) 0.1947(4) 0.3995(4) 0.0332(17) Uani 1 1 d .
N2 N 0.2355(5) -0.3796(4) 0.5998(4) 0.0346(18) Uani 1 1 d .
C1 C 0.5005(5) 0.0765(4) 0.7654(3) 0.038(2) Uani 1 1 d G
C2 C 0.5996(5) 0.0994(4) 0.7784(4) 0.052(3) Uani 1 1 d G
H2 H 0.6279 0.103 0.7342 0.104(17) Uiso 1 1 calc R
C3 C 0.6565(4) 0.1167(4) 0.8576(5) 0.078(4) Uani 1 1 d G
H3 H 0.7228 0.132 0.8664 0.104(17) Uiso 1 1 calc R
C4 C 0.6142(7) 0.1112(5) 0.9238(4) 0.094(5) Uani 1 1 d G
H4 H 0.6523 0.1228 0.9768 0.104(17) Uiso 1 1 calc R
C5 C 0.5151(7) 0.0884(5) 0.9108(4) 0.082(4) Uani 1 1 d G
H5 H 0.4868 0.0847 0.9551 0.104(17) Uiso 1 1 calc R
C6 C 0.4582(5) 0.0710(4) 0.8316(5) 0.056(3) Uani 1 1 d G
H6 H 0.3919 0.0557 0.8229 0.104(17) Uiso 1 1 calc R
C7 C 0.2884(4) 0.0437(4) 0.6370(4) 0.032(2) Uani 1 1 d G
C8 C 0.2206(5) 0.1099(3) 0.6339(4) 0.050(3) Uani 1 1 d G
H8 H 0.2442 0.1619 0.642 0.068(13) Uiso 1 1 calc R
C9 C 0.1175(4) 0.0984(4) 0.6185(5) 0.056(3) Uani 1 1 d G
H9 H 0.0722 0.1427 0.6164 0.068(13) Uiso 1 1 calc R
C10 C 0.0823(4) 0.0208(5) 0.6063(5) 0.053(3) Uani 1 1 d G
H10 H 0.0133 0.0131 0.596 0.068(13) Uiso 1 1 calc R
C11 C 0.1501(5) -0.0454(4) 0.6094(5) 0.065(3) Uani 1 1 d G
H11 H 0.1265 -0.0974 0.6013 0.068(13) Uiso 1 1 calc R
C12 C 0.2531(5) -0.0339(3) 0.6248(5) 0.051(3) Uani 1 1 d G
H12 H 0.2985 -0.0782 0.6269 0.068(13) Uiso 1 1 calc R
C13 C 0.4035(5) 0.2014(4) 0.1976(4) 0.041(2) Uani 1 1 d G
C14 C 0.3846(5) 0.2921(4) 0.1844(4) 0.054(3) Uani 1 1 d G
H14 H 0.379 0.3059 0.2328 0.103(18) Uiso 1 1 calc R
C15 C 0.3741(6) 0.3622(3) 0.0988(5) 0.068(3) Uani 1 1 d G
H15 H 0.3615 0.4229 0.09 0.103(18) Uiso 1 1 calc R
C16 C 0.3825(7) 0.3416(5) 0.0265(4) 0.093(4) Uani 1 1 d G
H16 H 0.3755 0.3885 -0.0307 0.103(18) Uiso 1 1 calc R
C17 C 0.4014(7) 0.2508(6) 0.0398(4) 0.108(5) Uani 1 1 d G
H17 H 0.407 0.2371 -0.0086 0.103(18) Uiso 1 1 calc R
C18 C 0.4119(6) 0.1807(4) 0.1253(5) 0.081(4) Uani 1 1 d G
H18 H 0.4245 0.1201 0.1342 0.103(18) Uiso 1 1 calc R
C19 C 0.3006(4) 0.0507(4) 0.3038(4) 0.033(2) Uani 1 1 d G
C20 C 0.2203(5) 0.0691(4) 0.2165(3) 0.053(3) Uani 1 1 d G
H20 H 0.2239 0.1117 0.1612 0.078(14) Uiso 1 1 calc R
C21 C 0.1344(4) 0.0239(5) 0.2119(4) 0.065(3) Uani 1 1 d G
H21 H 0.0807 0.0362 0.1535 0.078(14) Uiso 1 1 calc R
C22 C 0.1290(4) -0.0397(4) 0.2946(6) 0.059(3) Uani 1 1 d G
H22 H 0.0715 -0.0699 0.2915 0.078(14) Uiso 1 1 calc R
C23 C 0.2093(6) -0.0581(4) 0.3818(5) 0.060(3) Uani 1 1 d G
H23 H 0.2056 -0.1006 0.4371 0.078(14) Uiso 1 1 calc R
C24 C 0.2951(4) -0.0129(4) 0.3864(3) 0.046(2) Uani 1 1 d G
H24 H 0.3489 -0.0252 0.4448 0.078(14) Uiso 1 1 calc R
C25 C 0.1581(7) 0.2468(6) 0.3424(7) 0.042(2) Uani 1 1 d .
C26 C 0.0816(7) 0.1776(7) 0.3485(7) 0.065(3) Uani 1 1 d .
H26A H 0.0116 0.2093 0.3107 0.112(14) Uiso 1 1 calc R
H26B H 0.0894 0.1461 0.4134 0.112(14) Uiso 1 1 calc R
H26C H 0.0959 0.1341 0.3253 0.112(14) Uiso 1 1 calc R
C27 C 0.1420(8) 0.3132(7) 0.3855(8) 0.071(3) Uani 1 1 d .
H27A H 0.0712 0.3437 0.3534 0.112(14) Uiso 1 1 calc R
H27B H 0.1881 0.3577 0.3782 0.112(14) Uiso 1 1 calc R
H27C H 0.1567 0.2799 0.4517 0.112(14) Uiso 1 1 calc R
C28 C 0.1491(8) 0.2951(7) 0.2415(7) 0.075(4) Uani 1 1 d .
H28A H 0.1899 0.3439 0.2371 0.112(14) Uiso 1 1 calc R
H28B H 0.0775 0.3197 0.2007 0.112(14) Uiso 1 1 calc R
H28C H 0.1742 0.2525 0.2224 0.112(14) Uiso 1 1 calc R
C29 C 0.2129(4) -0.3548(4) 0.3650(4) 0.036(2) Uani 1 1 d G
C30 C 0.2820(5) -0.2923(3) 0.3703(4) 0.048(3) Uani 1 1 d G
H30 H 0.2594 -0.2344 0.3639 0.080(14) Uiso 1 1 calc R
C31 C 0.3847(4) -0.3163(4) 0.3852(5) 0.049(3) Uani 1 1 d G
H31 H 0.4309 -0.2745 0.3888 0.080(14) Uiso 1 1 calc R
C32 C 0.4184(4) -0.4028(4) 0.3948(5) 0.058(3) Uani 1 1 d G
H32 H 0.4872 -0.4189 0.4047 0.080(14) Uiso 1 1 calc R
C33 C 0.3494(5) -0.4653(3) 0.3894(5) 0.058(3) Uani 1 1 d G
H33 H 0.3719 -0.5232 0.3958 0.080(14) Uiso 1 1 calc R
C34 C 0.2466(4) -0.4413(3) 0.3745(5) 0.047(3) Uani 1 1 d G
H34 H 0.2004 -0.4831 0.371 0.080(14) Uiso 1 1 calc R
C35 C 0.0025(4) -0.2264(3) 0.2312(3) 0.032(2) Uani 1 1 d G
C36 C 0.0461(4) -0.1925(4) 0.1637(4) 0.045(2) Uani 1 1 d G
H36 H 0.1134 -0.217 0.1771 0.113(18) Uiso 1 1 calc R
C37 C -0.0107(6) -0.1221(4) 0.0763(4) 0.074(3) Uani 1 1 d G
H37 H 0.0184 -0.0995 0.0312 0.113(18) Uiso 1 1 calc R
C38 C -0.1112(6) -0.0855(4) 0.0564(4) 0.084(4) Uani 1 1 d G
H38 H -0.1493 -0.0384 -0.0021 0.113(18) Uiso 1 1 calc R
C39 C -0.1548(4) -0.1194(4) 0.1238(5) 0.076(4) Uani 1 1 d G
H39 H -0.222 -0.0949 0.1105 0.113(18) Uiso 1 1 calc R
C40 C -0.0979(5) -0.1898(4) 0.2112(4) 0.051(3) Uani 1 1 d G
H40 H -0.1271 -0.2124 0.2564 0.113(18) Uiso 1 1 calc R
C41 C -0.0942(5) -0.4694(4) 0.1998(3) 0.036(2) Uani 1 1 d G
C42 C -0.0788(6) -0.3944(4) 0.1307(5) 0.077(4) Uani 1 1 d G
H42 H -0.0623 -0.3421 0.1418 0.073(14) Uiso 1 1 calc R
C43 C -0.0880(7) -0.3975(5) 0.0450(4) 0.100(5) Uani 1 1 d G
H43 H -0.0776 -0.3473 -0.0012 0.073(14) Uiso 1 1 calc R
C44 C -0.1125(6) -0.4757(6) 0.0285(4) 0.079(4) Uani 1 1 d G
H44 H -0.1187 -0.4778 -0.0289 0.073(14) Uiso 1 1 calc R
C45 C -0.1279(5) -0.5507(4) 0.0976(5) 0.064(3) Uani 1 1 d G
H45 H -0.1444 -0.603 0.0865 0.073(14) Uiso 1 1 calc R
C46 C -0.1187(5) -0.5476(3) 0.1832(4) 0.053(3) Uani 1 1 d G
H46 H -0.129 -0.5978 0.2295 0.073(14) Uiso 1 1 calc R
C47 C -0.1959(4) -0.4045(3) 0.3115(4) 0.032(2) Uani 1 1 d G
C48 C -0.2790(5) -0.3593(4) 0.2252(3) 0.048(3) Uani 1 1 d G
H48 H -0.2764 -0.36 0.1698 0.054(12) Uiso 1 1 calc R
C49 C -0.3661(4) -0.3132(4) 0.2217(4) 0.058(3) Uani 1 1 d G
H49 H -0.4217 -0.2829 0.1639 0.054(12) Uiso 1 1 calc R
C50 C -0.3700(4) -0.3122(4) 0.3045(5) 0.051(3) Uani 1 1 d G
H50 H -0.4282 -0.2813 0.3021 0.054(12) Uiso 1 1 calc R
C51 C -0.2868(5) -0.3573(4) 0.3908(4) 0.054(3) Uani 1 1 d G
H51 H -0.2894 -0.3567 0.4462 0.054(12) Uiso 1 1 calc R
C52 C -0.1998(4) -0.4035(4) 0.3944(3) 0.045(2) Uani 1 1 d G
H52 H -0.1441 -0.4337 0.4521 0.054(12) Uiso 1 1 calc R
C53 C -0.3406(7) -0.6297(5) 0.3454(7) 0.043(2) Uani 1 1 d .
C54 C 0.3557(8) -0.2710(6) 0.6102(7) 0.065(3) Uani 1 1 d .
H54A H 0.4222 -0.2622 0.6484 0.097(13) Uiso 1 1 calc R
H54B H 0.3015 -0.2311 0.6069 0.097(13) Uiso 1 1 calc R
H54C H 0.3528 -0.2574 0.5474 0.097(13) Uiso 1 1 calc R
C55 C -0.4188(7) -0.5658(7) 0.3503(7) 0.065(3) Uani 1 1 d .
H55A H -0.4884 -0.5706 0.3139 0.097(13) Uiso 1 1 calc R
H55B H -0.4068 -0.5038 0.3248 0.097(13) Uiso 1 1 calc R
H55C H -0.4102 -0.5828 0.4152 0.097(13) Uiso 1 1 calc R
C56 C -0.3493(8) -0.6036(8) 0.2452(7) 0.076(4) Uani 1 1 d .
H56A H -0.4163 -0.6127 0.2079 0.097(13) Uiso 1 1 calc R
H56B H -0.2956 -0.6411 0.2449 0.097(13) Uiso 1 1 calc R
H56C H -0.3417 -0.5405 0.2188 0.097(13) Uiso 1 1 calc R
C57 C -0.280(3) -0.6721(12) -0.0587(12) 0.24(2) Uani 1 1 d G
C58 C -0.3297(11) -0.6951(19) 0.004(3) 0.181(13) Uani 1 1 d G
H58 H -0.3959 -0.6646 -0.0144 0.48(10) Uiso 1 1 calc R
C59 C -0.281(3) -0.764(2) 0.095(2) 0.229(18) Uani 1 1 d G
H59 H -0.3147 -0.7792 0.1366 0.48(10) Uiso 1 1 calc R
C60 C -0.182(3) -0.8093(11) 0.1222(14) 0.23(2) Uani 1 1 d G
H60 H -0.1497 -0.8553 0.1828 0.48(10) Uiso 1 1 calc R
C61 C -0.1321(12) -0.786(2) 0.059(3) 0.27(3) Uani 1 1 d G
H61 H -0.0659 -0.8168 0.0779 0.48(10) Uiso 1 1 calc R
C62 C -0.181(3) -0.718(2) -0.031(3) 0.222(18) Uani 1 1 d G
H62 H -0.1471 -0.7023 -0.0731 0.48(10) Uiso 1 1 calc R
C63 C -0.301(4) -0.611(2) -0.143(2) 0.41(4) Uani 1 1 d .
H63A H -0.239 -0.5891 -0.148 0.9(3) Uiso 1 1 calc R
H63B H -0.3505 -0.5615 -0.1546 0.9(3) Uiso 1 1 calc R
H63C H -0.3311 -0.6378 -0.188 0.9(3) Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.006 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
0 2 -5
2 0 -8
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
O1 Cr1 N1 107.0(3) . .
O1 Cr1 O2 110.6(3) . .
N1 Cr1 O2 107.2(3) . .
O1 Cr1 O3 109.6(3) . .
N1 Cr1 O3 109.9(3) . .
O2 Cr1 O3 112.4(3) . .
O5 Cr2 N2 107.1(3) . .
O5 Cr2 O6 110.4(3) . .
N2 Cr2 O6 107.0(3) . .
O5 Cr2 O7 109.8(3) . .
N2 Cr2 O7 110.0(3) . .
O6 Cr2 O7 112.5(2) . .
O4 Si1 O3 108.1(3) 2_656 .
O4 Si1 C7 107.6(3) 2_656 .
O3 Si1 C7 112.0(3) . .
O4 Si1 C1 110.5(3) 2_656 .
O3 Si1 C1 104.9(3) . .
C7 Si1 C1 113.6(3) . .
O4 Si2 O2 106.7(3) . .
O4 Si2 C13 108.9(3) . .
O2 Si2 C13 109.6(3) . .
O4 Si2 C19 109.2(3) . .
O2 Si2 C19 110.6(3) . .
C13 Si2 C19 111.7(3) . .
O8 Si3 O7 108.5(3) . .
O8 Si3 C29 106.3(3) . .
O7 Si3 C29 112.8(3) . .
O8 Si3 C35 110.6(3) . .
O7 Si3 C35 106.3(3) . .
C29 Si3 C35 112.3(3) . .
O8 Si4 O6 106.4(3) . 2_546
O8 Si4 C47 109.5(3) . .
O6 Si4 C47 110.1(3) 2_546 .
O8 Si4 C41 108.8(3) . .
O6 Si4 C41 109.1(3) 2_546 .
C47 Si4 C41 112.6(3) . .
Si2 O2 Cr1 140.3(3) . .
Si1 O3 Cr1 141.0(3) . .
Si2 O4 Si1 154.2(4) . 2_656
Si4 O6 Cr2 140.0(3) 2_546 .
Si3 O7 Cr2 139.2(3) . .
Si3 O8 Si4 151.8(4) . .
C25 N1 Cr1 145.6(6) . .
C53 N2 Cr2 146.4(6) 2_546 .
C2 C1 C6 120 . .
C2 C1 Si1 117.6(4) . .
C6 C1 Si1 122.4(4) . .
C1 C2 C3 120 . .
C1 C2 H2 120 . .
C3 C2 H2 120 . .
C4 C3 C2 120 . .
C4 C3 H3 120 . .
C2 C3 H3 120 . .
C5 C4 C3 120 . .
C5 C4 H4 120 . .
C3 C4 H4 120 . .
C6 C5 C4 120 . .
C6 C5 H5 120 . .
C4 C5 H5 120 . .
C5 C6 C1 120 . .
C5 C6 H6 120 . .
C1 C6 H6 120 . .
C8 C7 C12 120 . .
C8 C7 Si1 121.1(4) . .
C12 C7 Si1 118.9(4) . .
C9 C8 C7 120 . .
C9 C8 H8 120 . .
C7 C8 H8 120 . .
C8 C9 C10 120 . .
C8 C9 H9 120 . .
C10 C9 H9 120 . .
C11 C10 C9 120 . .
C11 C10 H10 120 . .
C9 C10 H10 120 . .
C10 C11 C12 120 . .
C10 C11 H11 120 . .
C12 C11 H11 120 . .
C11 C12 C7 120 . .
C11 C12 H12 120 . .
C7 C12 H12 120 . .
C14 C13 C18 120 . .
C14 C13 Si2 120.3(4) . .
C18 C13 Si2 119.7(4) . .
C13 C14 C15 120 . .
C13 C14 H14 120 . .
C15 C14 H14 120 . .
C16 C15 C14 120 . .
C16 C15 H15 120 . .
C14 C15 H15 120 . .
C17 C16 C15 120 . .
C17 C16 H16 120 . .
C15 C16 H16 120 . .
C16 C17 C18 120 . .
C16 C17 H17 120 . .
C18 C17 H17 120 . .
C17 C18 C13 120 . .
C17 C18 H18 120 . .
C13 C18 H18 120 . .
C20 C19 C24 120 . .
C20 C19 Si2 121.4(4) . .
C24 C19 Si2 118.6(4) . .
C19 C20 C21 120 . .
C19 C20 H20 120 . .
C21 C20 H20 120 . .
C20 C21 C22 120 . .
C20 C21 H21 120 . .
C22 C21 H21 120 . .
C23 C22 C21 120 . .
C23 C22 H22 120 . .
C21 C22 H22 120 . .
C22 C23 C24 120 . .
C22 C23 H23 120 . .
C24 C23 H23 120 . .
C23 C24 C19 120 . .
C23 C24 H24 120 . .
C19 C24 H24 120 . .
N1 C25 C28 108.3(7) . .
N1 C25 C27 107.8(7) . .
C28 C25 C27 112.7(9) . .
N1 C25 C26 106.9(7) . .
C28 C25 C26 110.3(8) . .
C27 C25 C26 110.7(8) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C30 C29 C34 120 . .
C30 C29 Si3 121.0(4) . .
C34 C29 Si3 119.0(4) . .
C31 C30 C29 120 . .
C31 C30 H30 120 . .
C29 C30 H30 120 . .
C30 C31 C32 120 . .
C30 C31 H31 120 . .
C32 C31 H31 120 . .
C31 C32 C33 120 . .
C31 C32 H32 120 . .
C33 C32 H32 120 . .
C34 C33 C32 120 . .
C34 C33 H33 120 . .
C32 C33 H33 120 . .
C33 C34 C29 120 . .
C33 C34 H34 120 . .
C29 C34 H34 120 . .
C36 C35 C40 120 . .
C36 C35 Si3 120.6(4) . .
C40 C35 Si3 119.3(4) . .
C35 C36 C37 120 . .
C35 C36 H36 120 . .
C37 C36 H36 120 . .
C36 C37 C38 120 . .
C36 C37 H37 120 . .
C38 C37 H37 120 . .
C39 C38 C37 120 . .
C39 C38 H38 120 . .
C37 C38 H38 120 . .
C38 C39 C40 120 . .
C38 C39 H39 120 . .
C40 C39 H39 120 . .
C39 C40 C35 120 . .
C39 C40 H40 120 . .
C35 C40 H40 120 . .
C42 C41 C46 120 . .
C42 C41 Si4 119.7(4) . .
C46 C41 Si4 120.3(4) . .
C43 C42 C41 120 . .
C43 C42 H42 120 . .
C41 C42 H42 120 . .
C42 C43 C44 120 . .
C42 C43 H43 120 . .
C44 C43 H43 120 . .
C45 C44 C43 120 . .
C45 C44 H44 120 . .
C43 C44 H44 120 . .
C44 C45 C46 120 . .
C44 C45 H45 120 . .
C46 C45 H45 120 . .
C45 C46 C41 120 . .
C45 C46 H46 120 . .
C41 C46 H46 120 . .
C48 C47 C52 120 . .
C48 C47 Si4 120.4(4) . .
C52 C47 Si4 119.6(4) . .
C49 C48 C47 120 . .
C49 C48 H48 120 . .
C47 C48 H48 120 . .
C50 C49 C48 120 . .
C50 C49 H49 120 . .
C48 C49 H49 120 . .
C49 C50 C51 120 . .
C49 C50 H50 120 . .
C51 C50 H50 120 . .
C52 C51 C50 120 . .
C52 C51 H51 120 . .
C50 C51 H51 120 . .
C51 C52 C47 120 . .
C51 C52 H52 120 . .
C47 C52 H52 120 . .
N2 C53 C56 107.1(7) 2_546 .
N2 C53 C54 108.2(7) 2_546 2_546
C56 C53 C54 111.6(8) . 2_546
N2 C53 C55 108.5(7) 2_546 .
C56 C53 C55 111.3(8) . .
C54 C53 C55 110.0(8) 2_546 .
C53 C54 H54A 109.5 2_546 .
C53 C54 H54B 109.5 2_546 .
H54A C54 H54B 109.5 . .
C53 C54 H54C 109.5 2_546 .
H54A C54 H54C 109.5 . .
H54B C54 H54C 109.5 . .
C53 C55 H55A 109.5 . .
C53 C55 H55B 109.5 . .
H55A C55 H55B 109.5 . .
C53 C55 H55C 109.5 . .
H55A C55 H55C 109.5 . .
H55B C55 H55C 109.5 . .
C53 C56 H56A 109.5 . .
C53 C56 H56B 109.5 . .
H56A C56 H56B 109.5 . .
C53 C56 H56C 109.5 . .
H56A C56 H56C 109.5 . .
H56B C56 H56C 109.5 . .
C63 C57 C58 134(4) . .
C63 C57 C62 106(4) . .
C58 C57 C62 120 . .
C59 C58 C57 120 . .
C59 C58 H58 120 . .
C57 C58 H58 120 . .
C58 C59 C60 120 . .
C58 C59 H59 120 . .
C60 C59 H59 120 . .
C59 C60 C61 120 . .
C59 C60 H60 120 . .
C61 C60 H60 120 . .
C62 C61 C60 120 . .
C62 C61 H61 120 . .
C60 C61 H61 120 . .
C61 C62 C57 120 . .
C61 C62 H62 120 . .
C57 C62 H62 120 . .
C57 C63 H63A 110 . .
C57 C63 H63B 110.1 . .
H63A C63 H63B 108.8 . .
C57 C63 H63C 110.2 . .
H63A C63 H63C 108.8 . .
H63B C63 H63C 108.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cr1 O1 1.573(5) .
Cr1 N1 1.624(7) .
Cr1 O2 1.767(5) .
Cr1 O3 1.769(5) .
Cr2 O5 1.574(5) .
Cr2 N2 1.621(7) .
Cr2 O6 1.769(5) .
Cr2 O7 1.772(5) .
Si1 O4 1.621(6) 2_656
Si1 O3 1.630(6) .
Si1 C7 1.868(5) .
Si1 C1 1.874(5) .
Si2 O4 1.611(6) .
Si2 O2 1.625(5) .
Si2 C13 1.863(5) .
Si2 C19 1.872(5) .
Si3 O8 1.617(5) .
Si3 O7 1.629(5) .
Si3 C29 1.867(5) .
Si3 C35 1.867(5) .
Si4 O8 1.623(5) .
Si4 O6 1.625(5) 2_546
Si4 C47 1.873(5) .
Si4 C41 1.883(5) .
O4 Si1 1.621(6) 2_656
O6 Si4 1.625(5) 2_546
N1 C25 1.454(10) .
N2 C53 1.460(10) 2_546
C1 C2 1.39 .
C1 C6 1.39 .
C2 C3 1.39 .
C2 H2 0.93 .
C3 C4 1.39 .
C3 H3 0.93 .
C4 C5 1.39 .
C4 H4 0.93 .
C5 C6 1.39 .
C5 H5 0.93 .
C6 H6 0.93 .
C7 C8 1.39 .
C7 C12 1.39 .
C8 C9 1.39 .
C8 H8 0.93 .
C9 C10 1.39 .
C9 H9 0.93 .
C10 C11 1.39 .
C10 H10 0.93 .
C11 C12 1.39 .
C11 H11 0.93 .
C12 H12 0.93 .
C13 C14 1.39 .
C13 C18 1.39 .
C14 C15 1.39 .
C14 H14 0.93 .
C15 C16 1.39 .
C15 H15 0.93 .
C16 C17 1.39 .
C16 H16 0.93 .
C17 C18 1.39 .
C17 H17 0.93 .
C18 H18 0.93 .
C19 C20 1.39 .
C19 C24 1.39 .
C20 C21 1.39 .
C20 H20 0.93 .
C21 C22 1.39 .
C21 H21 0.93 .
C22 C23 1.39 .
C22 H22 0.93 .
C23 C24 1.39 .
C23 H23 0.93 .
C24 H24 0.93 .
C25 C28 1.505(13) .
C25 C27 1.533(12) .
C25 C26 1.536(12) .
C26 H26A 0.96 .
C26 H26B 0.96 .
C26 H26C 0.96 .
C27 H27A 0.96 .
C27 H27B 0.96 .
C27 H27C 0.96 .
C28 H28A 0.96 .
C28 H28B 0.96 .
C28 H28C 0.96 .
C29 C30 1.39 .
C29 C34 1.39 .
C30 C31 1.39 .
C30 H30 0.93 .
C31 C32 1.39 .
C31 H31 0.93 .
C32 C33 1.39 .
C32 H32 0.93 .
C33 C34 1.39 .
C33 H33 0.93 .
C34 H34 0.93 .
C35 C36 1.39 .
C35 C40 1.39 .
C36 C37 1.39 .
C36 H36 0.93 .
C37 C38 1.39 .
C37 H37 0.93 .
C38 C39 1.39 .
C38 H38 0.93 .
C39 C40 1.39 .
C39 H39 0.93 .
C40 H40 0.93 .
C41 C42 1.39 .
C41 C46 1.39 .
C42 C43 1.39 .
C42 H42 0.93 .
C43 C44 1.39 .
C43 H43 0.93 .
C44 C45 1.39 .
C44 H44 0.93 .
C45 C46 1.39 .
C45 H45 0.93 .
C46 H46 0.93 .
C47 C48 1.39 .
C47 C52 1.39 .
C48 C49 1.39 .
C48 H48 0.93 .
C49 C50 1.39 .
C49 H49 0.93 .
C50 C51 1.39 .
C50 H50 0.93 .
C51 C52 1.39 .
C51 H51 0.93 .
C52 H52 0.93 .
C53 N2 1.460(10) 2_546
C53 C56 1.502(13) .
C53 C54 1.526(11) 2_546
C53 C55 1.535(12) .
C54 C53 1.526(11) 2_546
C54 H54A 0.96 .
C54 H54B 0.96 .
C54 H54C 0.96 .
C55 H55A 0.96 .
C55 H55B 0.96 .
C55 H55C 0.96 .
C56 H56A 0.96 .
C56 H56B 0.96 .
C56 H56C 0.96 .
C57 C63 1.28(3) .
C57 C58 1.39 .
C57 C62 1.39 .
C58 C59 1.39 .
C58 H58 0.93 .
C59 C60 1.39 .
C59 H59 0.93 .
C60 C61 1.39 .
C60 H60 0.93 .
C61 C62 1.39 .
C61 H61 0.93 .
C62 H62 0.93 .
C63 H63A 0.9652 .
C63 H63B 0.9653 .
C63 H63C 0.9653 .
