#------------------------------------------------------------------------------
#$Date: 2020-04-29 22:55:48 +0300 (Wed, 29 Apr 2020) $
#$Revision: 251279 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/13/48/4134831.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4134831
loop_
_publ_author_name
'Shima, Takanori'
'Yang, Jimin'
'Luo, Gen'
'Luo, Yi'
'Hou, Zhaomin'
_publ_section_title
;
 Dinitrogen Activation and Hydrogenation by
 C₅Me₄SiMe₃-Ligated Di- and Trinuclear
 Chromium Hydride Complexes.
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_paper_doi               10.1021/jacs.0c02939
_journal_year                    2020
_chemical_formula_moiety         'C48 H88 Cr4 N2 Si4, 2(C3 H6)'
_chemical_formula_sum            'C54 H100 Cr4 N2 Si4'
_chemical_formula_weight         1097.71
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_date             2019-02-18
_audit_creation_method
;
Olex2 1.2
(compiled 2018.05.29 svn.r3508 for OlexSys, GUI svn.r5506)
;
_cell_angle_alpha                90
_cell_angle_beta                 107.7499(15)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   24.5565(11)
_cell_length_b                   11.8827(5)
_cell_length_c                   21.1647(9)
_cell_measurement_reflns_used    9994
_cell_measurement_temperature    173.15
_cell_measurement_theta_max      26.60
_cell_measurement_theta_min      2.23
_cell_volume                     5881.8(4)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_diffrn_ambient_temperature      173.15
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CMOS area detector'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0948
_diffrn_reflns_av_unetI/netI     0.0571
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            118281
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.500
_diffrn_reflns_theta_min         0.871
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.835
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.7037
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2014/5 (Bruker,2014/5) was used for absorption correction.
wR2(int) was 0.1045 before and 0.0534 after correction.
The Ratio of minimum to maximum transmission is 0.9438.
The λ/2 correction factor is 0.00150.
;
_exptl_crystal_colour            black
_exptl_crystal_colour_primary    black
_exptl_crystal_density_diffrn    1.240
_exptl_crystal_description       block
_exptl_crystal_F_000             2360
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.812
_refine_diff_density_min         -0.406
_refine_diff_density_rms         0.071
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.010
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     626
_refine_ls_number_reflns         13529
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.010
_refine_ls_R_factor_all          0.0895
_refine_ls_R_factor_gt           0.0421
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0379P)²+5.8659P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0882
_refine_ls_wR_factor_ref         0.1038
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8729
_reflns_number_total             13529
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            ja0c02939_si_003.cif
_cod_data_source_block           Complex4_25099ts
_cod_database_code               4134831
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.851
_shelx_estimated_absorpt_t_min   0.731
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups, All N(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Others
 Fixed Sof: N1(0.6) H1(0.6) N2(0.6) H2(0.6) H3(0.6) H4(0.6) N3(0.4) H5(0.4)
 N4(0.4) H6(0.4) H7(0.4) H8(0.4)
 Fixed Uiso: H3(0.05) H4(0.05) H7(0.05) H8(0.05)
3.a Everything fixed:
 H3, H4, H8
3.b Ternary CH refined with riding coordinates:
 N1(H1), N2(H2), N3(H5), N4(H6)
3.c Secondary CH2 refined with riding coordinates:
 C49(H49A,H49B), C50(H50A,H50B), C51(H51A,H51B), C52(H52A,H52B), C53(H53A,
 H53B), C54(H54A,H54B)
3.d Idealised Me refined as rotating group:
 C6(H6A,H6B,H6C), C7(H7A,H7B,H7C), C8(H8A,H8B,H8C), C9(H9A,H9B,H9C), C10(H10A,
 H10B,H10C), C11(H11A,H11B,H11C), C12(H12A,H12B,H12C), C18(H18A,H18B,H18C),
 C19(H19A,H19B,H19C), C20(H20A,H20B,H20C), C21(H21A,H21B,H21C), C22(H22A,H22B,
 H22C), C23(H23A,H23B,H23C), C24(H24A,H24B,H24C), C30(H30A,H30B,H30C), C31(H31A,
 H31B,H31C), C32(H32A,H32B,H32C), C33(H33A,H33B,H33C), C34(H34A,H34B,H34C),
 C35(H35A,H35B,H35C), C36(H36A,H36B,H36C), C42(H42A,H42B,H42C), C43(H43A,H43B,
 H43C), C44(H44A,H44B,H44C), C45(H45A,H45B,H45C), C46(H46A,H46B,H46C), C47(H47A,
 H47B,H47C), C48(H48A,H48B,H48C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Cr1 Cr 0.30847(2) 0.16859(3) 0.27695(2) 0.01723(10) Uani 1 1 d . . . . .
Cr2 Cr 0.19162(2) 0.16449(3) 0.20307(2) 0.01781(10) Uani 1 1 d . . . . .
Cr3 Cr 0.26521(2) 0.00045(3) 0.18389(2) 0.01876(10) Uani 1 1 d . . . . .
Cr4 Cr 0.23841(2) -0.00205(3) 0.29609(2) 0.01974(10) Uani 1 1 d . . . . .
Si1 Si 0.39865(3) 0.37449(6) 0.20710(4) 0.02301(17) Uani 1 1 d . . . . .
Si2 Si 0.09661(3) 0.36500(6) 0.27084(4) 0.02463(17) Uani 1 1 d . . . . .
Si3 Si 0.17373(3) -0.20299(6) 0.04997(4) 0.02233(17) Uani 1 1 d . . . . .
Si4 Si 0.33449(3) -0.19558(6) 0.43164(4) 0.02388(17) Uani 1 1 d . . . . .
N1 N 0.3128(2) 0.0025(5) 0.2771(3) 0.0132(7) Uani 0.6 1 d . . P A 1
H1 H 0.347212 -0.044912 0.297944 0.016 Uiso 0.6 1 calc R . P A 1
N2 N 0.19127(14) -0.0018(3) 0.20318(15) 0.0137(7) Uani 0.6 1 d . . P A 1
H2 H 0.157874 -0.051790 0.182339 0.016 Uiso 0.6 1 calc R . P A 1
H3 H 0.235160 0.168380 0.298600 0.050 Uiso 0.6 1 d . . P B 1
H4 H 0.265110 0.169020 0.180950 0.050 Uiso 0.6 1 d . . P C 1
N3 N 0.2352(2) 0.1683(4) 0.2988(3) 0.0195(11) Uani 0.4 1 d . . P A 2
H5 H 0.226003 0.214870 0.333562 0.023 Uiso 0.4 1 calc R . P A 2
N4 N 0.2651(2) 0.1690(4) 0.1809(3) 0.0214(12) Uani 0.4 1 d . . P A 2
H6 H 0.273372 0.216664 0.145986 0.026 Uiso 0.4 1 calc R . P A 2
H7 H 0.308(6) 0.011(12) 0.272(7) 0.050 Uiso 0.4 1 d . . P D 2
H8 H 0.191280 -0.001710 0.203150 0.050 Uiso 0.4 1 d . . P E 2
C1 C 0.37842(10) 0.2960(2) 0.27331(12) 0.0175(5) Uani 1 1 d . . . . .
C2 C 0.34327(10) 0.3451(2) 0.30900(12) 0.0178(5) Uani 1 1 d . . . . .
C3 C 0.34882(11) 0.2817(2) 0.36750(12) 0.0180(5) Uani 1 1 d . . . . .
C4 C 0.38681(11) 0.1916(2) 0.36855(12) 0.0190(5) Uani 1 1 d . . . . .
C5 C 0.40492(10) 0.1996(2) 0.31108(12) 0.0189(5) Uani 1 1 d . . . . .
C6 C 0.31260(12) 0.4559(2) 0.29620(14) 0.0257(6) Uani 1 1 d . . . . .
H6A H 0.305016 0.476634 0.249493 0.038 Uiso 1 1 calc GR . . . .
H6B H 0.336417 0.513871 0.324446 0.038 Uiso 1 1 calc GR . . . .
H6C H 0.276341 0.449633 0.306310 0.038 Uiso 1 1 calc GR . . . .
C7 C 0.32420(12) 0.3160(2) 0.42120(13) 0.0267(6) Uani 1 1 d . . . . .
H7A H 0.282387 0.311741 0.404518 0.040 Uiso 1 1 calc GR . . . .
H7B H 0.335789 0.393393 0.434964 0.040 Uiso 1 1 calc GR . . . .
H7C H 0.338308 0.265430 0.459267 0.040 Uiso 1 1 calc GR . . . .
C8 C 0.40975(13) 0.1089(2) 0.42389(13) 0.0304(7) Uani 1 1 d . . . . .
H8A H 0.401641 0.135807 0.463866 0.046 Uiso 1 1 calc GR . . . .
H8B H 0.451165 0.101276 0.432940 0.046 Uiso 1 1 calc GR . . . .
H8C H 0.391422 0.035628 0.410992 0.046 Uiso 1 1 calc GR . . . .
C9 C 0.45050(12) 0.1256(2) 0.29956(14) 0.0296(6) Uani 1 1 d . . . . .
H9A H 0.446765 0.049402 0.315423 0.044 Uiso 1 1 calc GR . . . .
H9B H 0.488218 0.155949 0.323703 0.044 Uiso 1 1 calc GR . . . .
H9C H 0.446277 0.123237 0.252016 0.044 Uiso 1 1 calc GR . . . .
C10 C 0.42664(13) 0.5154(2) 0.24165(16) 0.0370(7) Uani 1 1 d . . . . .
H10A H 0.398221 0.553212 0.258173 0.055 Uiso 1 1 calc GR . . . .
H10B H 0.434192 0.561146 0.206728 0.055 Uiso 1 1 calc GR . . . .
H10C H 0.462159 0.505467 0.278143 0.055 Uiso 1 1 calc GR . . . .
C11 C 0.45829(12) 0.3102(3) 0.18101(15) 0.0360(7) Uani 1 1 d . . . . .
H11A H 0.490664 0.293967 0.220404 0.054 Uiso 1 1 calc GR . . . .
H11B H 0.470372 0.362974 0.152288 0.054 Uiso 1 1 calc GR . . . .
H11C H 0.444951 0.240249 0.156736 0.054 Uiso 1 1 calc GR . . . .
C12 C 0.33632(13) 0.3964(3) 0.13150(14) 0.0379(8) Uani 1 1 d . . . . .
H12A H 0.320305 0.323339 0.113748 0.057 Uiso 1 1 calc GR . . . .
H12B H 0.348828 0.436751 0.097962 0.057 Uiso 1 1 calc GR . . . .
H12C H 0.307073 0.440794 0.143052 0.057 Uiso 1 1 calc GR . . . .
C13 C 0.11886(10) 0.2865(2) 0.20584(12) 0.0180(5) Uani 1 1 d . . . . .
C14 C 0.15267(10) 0.3381(2) 0.16928(12) 0.0179(5) Uani 1 1 d . . . . .
C15 C 0.14831(10) 0.2729(2) 0.11164(12) 0.0185(5) Uani 1 1 d . . . . .
C16 C 0.11244(11) 0.1798(2) 0.11184(12) 0.0197(5) Uani 1 1 d . . . . .
C17 C 0.09439(10) 0.1874(2) 0.16956(12) 0.0187(5) Uani 1 1 d . . . . .
C18 C 0.18013(12) 0.4521(2) 0.17976(14) 0.0279(6) Uani 1 1 d . . . . .
H18A H 0.188406 0.473879 0.226403 0.042 Uiso 1 1 calc GR . . . .
H18B H 0.154110 0.507212 0.151575 0.042 Uiso 1 1 calc GR . . . .
H18C H 0.215815 0.449754 0.168153 0.042 Uiso 1 1 calc GR . . . .
C19 C 0.17180(12) 0.3088(2) 0.05690(13) 0.0271(6) Uani 1 1 d . . . . .
H19A H 0.213643 0.311120 0.073750 0.041 Uiso 1 1 calc GR . . . .
H19B H 0.157166 0.383736 0.041107 0.041 Uiso 1 1 calc GR . . . .
H19C H 0.159880 0.254923 0.020201 0.041 Uiso 1 1 calc GR . . . .
C20 C 0.09148(13) 0.0949(2) 0.05758(13) 0.0305(7) Uani 1 1 d . . . . .
H20A H 0.098397 0.122689 0.017101 0.046 Uiso 1 1 calc GR . . . .
H20B H 0.050405 0.082777 0.049143 0.046 Uiso 1 1 calc GR . . . .
H20C H 0.111917 0.023783 0.070981 0.046 Uiso 1 1 calc GR . . . .
C21 C 0.05104(12) 0.1098(2) 0.18272(14) 0.0303(7) Uani 1 1 d . . . . .
H21A H 0.056394 0.033780 0.167632 0.045 Uiso 1 1 calc GR . . . .
H21B H 0.012509 0.136438 0.158726 0.045 Uiso 1 1 calc GR . . . .
H21C H 0.055837 0.108322 0.230407 0.045 Uiso 1 1 calc GR . . . .
C22 C 0.03943(13) 0.2945(3) 0.29856(15) 0.0384(8) Uani 1 1 d . . . . .
H22A H 0.007532 0.273533 0.259651 0.058 Uiso 1 1 calc GR . . . .
H22B H 0.025794 0.346306 0.326449 0.058 Uiso 1 1 calc GR . . . .
H22C H 0.055103 0.226748 0.324060 0.058 Uiso 1 1 calc GR . . . .
C23 C 0.15791(13) 0.3968(3) 0.34608(14) 0.0375(7) Uani 1 1 d . . . . .
H23A H 0.172968 0.326497 0.368949 0.056 Uiso 1 1 calc GR . . . .
H23B H 0.144886 0.445546 0.375958 0.056 Uiso 1 1 calc GR . . . .
H23C H 0.188053 0.435168 0.332848 0.056 Uiso 1 1 calc GR . . . .
C24 C 0.06426(15) 0.5019(3) 0.23394(17) 0.0443(8) Uani 1 1 d . . . . .
H24A H 0.092396 0.544895 0.219516 0.066 Uiso 1 1 calc GR . . . .
H24B H 0.052871 0.545139 0.267259 0.066 Uiso 1 1 calc GR . . . .
H24C H 0.030597 0.487172 0.195722 0.066 Uiso 1 1 calc GR . . . .
C25 C 0.23915(11) -0.1205(2) 0.09535(12) 0.0182(5) Uani 1 1 d . . . . .
C26 C 0.26154(11) -0.0193(2) 0.07591(12) 0.0188(5) Uani 1 1 d . . . . .
C27 C 0.31986(11) -0.0081(2) 0.11445(12) 0.0207(6) Uani 1 1 d . . . . .
C28 C 0.33450(11) -0.1013(2) 0.15776(12) 0.0207(6) Uani 1 1 d . . . . .
C29 C 0.28520(11) -0.1693(2) 0.14680(12) 0.0198(5) Uani 1 1 d . . . . .
C30 C 0.23305(12) 0.0568(2) 0.01911(12) 0.0262(6) Uani 1 1 d . . . . .
H30A H 0.191986 0.060241 0.013588 0.039 Uiso 1 1 calc GR . . . .
H30B H 0.238980 0.027514 -0.021588 0.039 Uiso 1 1 calc GR . . . .
H30C H 0.249528 0.132384 0.028131 0.039 Uiso 1 1 calc GR . . . .
C31 C 0.36056(12) 0.0807(2) 0.10625(14) 0.0321(7) Uani 1 1 d . . . . .
H31A H 0.340909 0.153513 0.097859 0.048 Uiso 1 1 calc GR . . . .
H31B H 0.374268 0.061252 0.068727 0.048 Uiso 1 1 calc GR . . . .
H31C H 0.393113 0.085438 0.146802 0.048 Uiso 1 1 calc GR . . . .
C32 C 0.39334(12) -0.1314(2) 0.20111(14) 0.0316(7) Uani 1 1 d . . . . .
H32A H 0.417460 -0.063978 0.209705 0.047 Uiso 1 1 calc GR . . . .
H32B H 0.409958 -0.187975 0.178730 0.047 Uiso 1 1 calc GR . . . .
H32C H 0.391057 -0.161991 0.243237 0.047 Uiso 1 1 calc GR . . . .
C33 C 0.28623(13) -0.2825(2) 0.17917(14) 0.0292(6) Uani 1 1 d . . . . .
H33A H 0.309500 -0.278009 0.225831 0.044 Uiso 1 1 calc GR . . . .
H33B H 0.302722 -0.338481 0.156288 0.044 Uiso 1 1 calc GR . . . .
H33C H 0.247151 -0.304707 0.176467 0.044 Uiso 1 1 calc GR . . . .
C34 C 0.12426(13) -0.2255(3) 0.10066(14) 0.0344(7) Uani 1 1 d . . . . .
H34A H 0.145292 -0.260122 0.143113 0.052 Uiso 1 1 calc GR . . . .
H34B H 0.092944 -0.275228 0.076647 0.052 Uiso 1 1 calc GR . . . .
H34C H 0.108604 -0.152986 0.108788 0.052 Uiso 1 1 calc GR . . . .
C35 C 0.19852(13) -0.3434(2) 0.02887(15) 0.0335(7) Uani 1 1 d . . . . .
H35A H 0.229223 -0.332413 0.008832 0.050 Uiso 1 1 calc GR . . . .
H35B H 0.166478 -0.382604 -0.002596 0.050 Uiso 1 1 calc GR . . . .
H35C H 0.212798 -0.388424 0.069347 0.050 Uiso 1 1 calc GR . . . .
C36 C 0.13245(13) -0.1432(3) -0.03251(14) 0.0366(7) Uani 1 1 d . . . . .
H36A H 0.116963 -0.069551 -0.026143 0.055 Uiso 1 1 calc GR . . . .
H36B H 0.100971 -0.194105 -0.054493 0.055 Uiso 1 1 calc GR . . . .
H36C H 0.157803 -0.134699 -0.060099 0.055 Uiso 1 1 calc GR . . . .
C37 C 0.26679(11) -0.1197(2) 0.38631(11) 0.0185(5) Uani 1 1 d . . . . .
C38 C 0.24232(11) -0.0192(2) 0.40403(12) 0.0187(5) Uani 1 1 d . . . . .
C39 C 0.18395(11) -0.0132(2) 0.36545(12) 0.0204(6) Uani 1 1 d . . . . .
C40 C 0.17113(11) -0.1079(2) 0.32336(12) 0.0214(6) Uani 1 1 d . . . . .
C41 C 0.22149(11) -0.1728(2) 0.33502(12) 0.0204(6) Uani 1 1 d . . . . .
C42 C 0.26931(12) 0.0602(2) 0.45944(13) 0.0266(6) Uani 1 1 d . . . . .
H42A H 0.310630 0.063137 0.466528 0.040 Uiso 1 1 calc GR . . . .
H42B H 0.262061 0.034158 0.500065 0.040 Uiso 1 1 calc GR . . . .
H42C H 0.252952 0.135516 0.448081 0.040 Uiso 1 1 calc GR . . . .
C43 C 0.14227(12) 0.0741(2) 0.37236(14) 0.0316(7) Uani 1 1 d . . . . .
H43A H 0.153655 0.147806 0.359836 0.047 Uiso 1 1 calc GR . . . .
H43B H 0.141863 0.076572 0.418498 0.047 Uiso 1 1 calc GR . . . .
H43C H 0.103988 0.055184 0.343283 0.047 Uiso 1 1 calc GR . . . .
C44 C 0.11296(12) -0.1430(2) 0.28048(14) 0.0314(7) Uani 1 1 d . . . . .
H44A H 0.086375 -0.079695 0.275344 0.047 Uiso 1 1 calc GR . . . .
H44B H 0.099395 -0.206341 0.301269 0.047 Uiso 1 1 calc GR . . . .
H44C H 0.115075 -0.165876 0.236809 0.047 Uiso 1 1 calc GR . . . .
C45 C 0.22242(13) -0.2864(2) 0.30449(14) 0.0311(7) Uani 1 1 d . . . . .
H45A H 0.199058 -0.284609 0.257801 0.047 Uiso 1 1 calc GR . . . .
H45B H 0.206945 -0.342644 0.328265 0.047 Uiso 1 1 calc GR . . . .
H45C H 0.261860 -0.306264 0.307466 0.047 Uiso 1 1 calc GR . . . .
C46 C 0.38360(13) -0.2116(3) 0.37977(15) 0.0387(8) Uani 1 1 d . . . . .
H46A H 0.363182 -0.248565 0.337851 0.058 Uiso 1 1 calc GR . . . .
H46B H 0.416643 -0.257352 0.403698 0.058 Uiso 1 1 calc GR . . . .
H46C H 0.396676 -0.137177 0.370593 0.058 Uiso 1 1 calc GR . . . .
C47 C 0.31504(14) -0.3391(2) 0.45484(15) 0.0351(7) Uani 1 1 d . . . . .
H47A H 0.289055 -0.331678 0.481740 0.053 Uiso 1 1 calc GR . . . .
H47B H 0.349761 -0.378719 0.480412 0.053 Uiso 1 1 calc GR . . . .
H47C H 0.296142 -0.381788 0.414501 0.053 Uiso 1 1 calc GR . . . .
C48 C 0.37445(13) -0.1312(3) 0.51376(14) 0.0366(7) Uani 1 1 d . . . . .
H48A H 0.388002 -0.056148 0.506570 0.055 Uiso 1 1 calc GR . . . .
H48B H 0.407213 -0.178845 0.536197 0.055 Uiso 1 1 calc GR . . . .
H48C H 0.348967 -0.125059 0.541342 0.055 Uiso 1 1 calc GR . . . .
C49 C -0.03793(15) 0.4636(3) 0.03723(18) 0.0501(9) Uani 1 1 d . . . . .
H49A H -0.043626 0.445840 0.080477 0.060 Uiso 1 1 calc R . . . .
H49B H -0.074812 0.452265 0.002131 0.060 Uiso 1 1 calc R . . . .
C50 C 0.00596(14) 0.3861(3) 0.02559(18) 0.0492(9) Uani 1 1 d . . . . .
H50A H -0.008263 0.307738 0.022956 0.059 Uiso 1 1 calc R . . . .
H50B H 0.041370 0.390923 0.063600 0.059 Uiso 1 1 calc R . . . .
C51 C 0.01944(15) 0.4142(3) -0.03698(18) 0.0496(9) Uani 1 1 d . . . . .
H51A H -0.014781 0.400660 -0.075545 0.060 Uiso 1 1 calc R . . . .
H51B H 0.050409 0.364403 -0.041325 0.060 Uiso 1 1 calc R . . . .
C52 C 0.4870(2) 0.5431(4) 0.4336(2) 0.0781(14) Uani 1 1 d . . . . .
H52A H 0.445140 0.555682 0.420143 0.094 Uiso 1 1 calc R . . . .
H52B H 0.500753 0.566374 0.396245 0.094 Uiso 1 1 calc R . . . .
C53 C 0.4984(2) 0.4238(4) 0.4463(2) 0.0850(15) Uani 1 1 d . . . . .
H53A H 0.539261 0.408962 0.451707 0.102 Uiso 1 1 calc R . . . .
H53B H 0.475374 0.380295 0.407383 0.102 Uiso 1 1 calc R . . . .
C54 C 0.48484(18) 0.3838(3) 0.50681(19) 0.0623(11) Uani 1 1 d . . . . .
H54A H 0.498116 0.305201 0.516477 0.075 Uiso 1 1 calc R . . . .
H54B H 0.442896 0.384870 0.498290 0.075 Uiso 1 1 calc R . . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cr Cr 0.3209 0.6236 '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'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Cr3 Cr1 Cr2 59.329(14) . . ?
Cr4 Cr1 Cr2 59.701(15) . . ?
Cr4 Cr1 Cr3 57.090(14) . . ?
N1 Cr1 Cr2 91.63(15) . . ?
N1 Cr1 Cr3 44.91(15) . . ?
N1 Cr1 Cr4 45.86(16) . . ?
N1 Cr1 C1 127.94(17) . . ?
N1 Cr1 C2 154.15(17) . . ?
N1 Cr1 C3 124.91(16) . . ?
N1 Cr1 C4 95.01(16) . . ?
N1 Cr1 C5 96.35(17) . . ?
N3 Cr1 Cr2 44.68(15) . . ?
N3 Cr1 Cr3 89.19(15) . . ?
N3 Cr1 Cr4 47.02(15) . . ?
N3 Cr1 C1 138.06(16) . . ?
N3 Cr1 C2 102.43(16) . . ?
N3 Cr1 C3 89.88(16) . . ?
N3 Cr1 C4 112.89(16) . . ?
N3 Cr1 C5 148.26(16) . . ?
N4 Cr1 Cr2 45.14(15) . . ?
N4 Cr1 Cr3 46.11(15) . . ?
N4 Cr1 Cr4 89.32(16) . . ?
N4 Cr1 N3 89.8(2) . . ?
N4 Cr1 C1 97.86(17) . . ?
N4 Cr1 C2 109.66(17) . . ?
N4 Cr1 C3 144.16(17) . . ?
N4 Cr1 C4 156.15(17) . . ?
N4 Cr1 C5 120.26(17) . . ?
C1 Cr1 Cr2 129.41(6) . . ?
C1 Cr1 Cr3 125.12(6) . . ?
C1 Cr1 Cr4 170.88(6) . . ?
C2 Cr1 Cr2 113.91(6) . . ?
C2 Cr1 Cr3 153.71(6) . . ?
C2 Cr1 Cr4 145.16(6) . . ?
C2 Cr1 C1 36.34(8) . . ?
C2 Cr1 C3 36.04(9) . . ?
C2 Cr1 C4 59.92(9) . . ?
C3 Cr1 Cr2 125.36(6) . . ?
C3 Cr1 Cr3 169.69(6) . . ?
C3 Cr1 Cr4 115.76(6) . . ?
C3 Cr1 C1 60.62(9) . . ?
C4 Cr1 Cr2 157.02(7) . . ?
C4 Cr1 Cr3 136.53(6) . . ?
C4 Cr1 Cr4 111.24(6) . . ?
C4 Cr1 C1 60.59(9) . . ?
C4 Cr1 C3 35.87(9) . . ?
C5 Cr1 Cr2 163.67(7) . . ?
C5 Cr1 Cr3 118.37(6) . . ?
C5 Cr1 Cr4 134.60(7) . . ?
C5 Cr1 C1 36.38(9) . . ?
C5 Cr1 C2 60.09(9) . . ?
C5 Cr1 C3 60.10(9) . . ?
C5 Cr1 C4 36.13(9) . . ?
Cr3 Cr2 Cr1 59.626(14) . . ?
Cr3 Cr2 Cr4 57.037(14) . . ?
Cr4 Cr2 Cr1 59.239(14) . . ?
N2 Cr2 Cr1 91.19(10) . . ?
N2 Cr2 Cr3 45.57(9) . . ?
N2 Cr2 Cr4 44.65(9) . . ?
N2 Cr2 C13 128.49(11) . . ?
N2 Cr2 C14 153.88(11) . . ?
N2 Cr2 C15 124.10(11) . . ?
N2 Cr2 C16 94.45(11) . . ?
N2 Cr2 C17 96.58(11) . . ?
N3 Cr2 Cr1 44.91(15) . . ?
N3 Cr2 Cr3 89.60(15) . . ?
N3 Cr2 Cr4 46.76(15) . . ?
N3 Cr2 N4 89.7(2) . . ?
N3 Cr2 C13 98.04(16) . . ?
N3 Cr2 C14 109.98(16) . . ?
N3 Cr2 C15 144.56(16) . . ?
N3 Cr2 C16 156.08(16) . . ?
N3 Cr2 C17 120.04(16) . . ?
N4 Cr2 Cr1 44.82(15) . . ?
N4 Cr2 Cr3 46.27(15) . . ?
N4 Cr2 Cr4 88.72(15) . . ?
N4 Cr2 C13 138.41(17) . . ?
N4 Cr2 C14 102.89(17) . . ?
N4 Cr2 C15 90.36(16) . . ?
N4 Cr2 C16 113.24(16) . . ?
N4 Cr2 C17 148.71(16) . . ?
C13 Cr2 Cr1 129.64(6) . . ?
C13 Cr2 Cr3 170.73(6) . . ?
C13 Cr2 Cr4 125.67(6) . . ?
C14 Cr2 Cr1 114.49(6) . . ?
C14 Cr2 Cr3 144.62(6) . . ?
C14 Cr2 Cr4 154.62(6) . . ?
C14 Cr2 C13 36.24(9) . . ?
C14 Cr2 C15 36.05(9) . . ?
C15 Cr2 Cr1 126.08(7) . . ?
C15 Cr2 Cr3 115.23(6) . . ?
C15 Cr2 Cr4 168.65(7) . . ?
C15 Cr2 C13 60.51(9) . . ?
C16 Cr2 Cr1 157.62(7) . . ?
C16 Cr2 Cr3 110.86(6) . . ?
C16 Cr2 Cr4 135.58(7) . . ?
C16 Cr2 C13 60.57(9) . . ?
C16 Cr2 C14 60.00(9) . . ?
C16 Cr2 C15 35.92(9) . . ?
C17 Cr2 Cr1 163.45(7) . . ?
C17 Cr2 Cr3 134.68(7) . . ?
C17 Cr2 Cr4 118.07(6) . . ?
C17 Cr2 C13 36.27(9) . . ?
C17 Cr2 C14 60.03(9) . . ?
C17 Cr2 C15 60.09(9) . . ?
C17 Cr2 C16 36.20(9) . . ?
Cr2 Cr3 Cr1 61.045(14) . . ?
Cr4 Cr3 Cr1 61.237(15) . . ?
Cr4 Cr3 Cr2 61.675(15) . . ?
N1 Cr3 Cr1 45.33(16) . . ?
N1 Cr3 Cr2 93.38(16) . . ?
N1 Cr3 Cr4 48.23(16) . . ?
N1 Cr3 N2 95.47(19) . . ?
N1 Cr3 C25 139.61(17) . . ?
N1 Cr3 C26 147.28(17) . . ?
N1 Cr3 C27 111.24(17) . . ?
N1 Cr3 C28 89.48(17) . . ?
N1 Cr3 C29 103.49(17) . . ?
N2 Cr3 Cr1 92.28(9) . . ?
N2 Cr3 Cr2 45.47(9) . . ?
N2 Cr3 Cr4 47.24(9) . . ?
N2 Cr3 C25 96.62(11) . . ?
N2 Cr3 C26 116.66(11) . . ?
N2 Cr3 C27 153.11(11) . . ?
N2 Cr3 C28 147.09(11) . . ?
N2 Cr3 C29 111.60(11) . . ?
N4 Cr3 Cr1 45.61(14) . . ?
N4 Cr3 Cr2 46.10(15) . . ?
N4 Cr3 Cr4 92.36(15) . . ?
N4 Cr3 C25 127.11(16) . . ?
N4 Cr3 C26 94.15(16) . . ?
N4 Cr3 C27 91.13(17) . . ?
N4 Cr3 C28 120.97(17) . . ?
N4 Cr3 C29 151.04(17) . . ?
C25 Cr3 Cr1 168.85(6) . . ?
C25 Cr3 Cr2 121.93(7) . . ?
C25 Cr3 Cr4 129.91(6) . . ?
C26 Cr3 Cr1 132.58(7) . . ?
C26 Cr3 Cr2 113.11(6) . . ?
C26 Cr3 Cr4 162.86(7) . . ?
C26 Cr3 C25 36.61(8) . . ?
C26 Cr3 C27 36.45(9) . . ?
C26 Cr3 C28 60.43(9) . . ?
C26 Cr3 C29 60.46(9) . . ?
C27 Cr3 Cr1 108.46(7) . . ?
C27 Cr3 Cr2 131.73(7) . . ?
C27 Cr3 Cr4 159.21(7) . . ?
C27 Cr3 C25 61.09(9) . . ?
C27 Cr3 C28 36.06(9) . . ?
C28 Cr3 Cr1 113.54(7) . . ?
C28 Cr3 Cr2 166.73(7) . . ?
C28 Cr3 Cr4 128.07(7) . . ?
C28 Cr3 C25 60.92(9) . . ?
C29 Cr3 Cr1 143.80(7) . . ?
C29 Cr3 Cr2 153.45(7) . . ?
C29 Cr3 Cr4 116.01(6) . . ?
C29 Cr3 C25 36.56(9) . . ?
C29 Cr3 C27 60.32(9) . . ?
C29 Cr3 C28 36.14(9) . . ?
Cr1 Cr4 Cr2 61.060(14) . . ?
Cr3 Cr4 Cr1 61.673(15) . . ?
Cr3 Cr4 Cr2 61.287(15) . . ?
N1 Cr4 Cr1 45.55(16) . . ?
N1 Cr4 Cr2 92.53(15) . . ?
N1 Cr4 Cr3 47.45(15) . . ?
N1 Cr4 C37 96.91(16) . . ?
N1 Cr4 C38 116.59(16) . . ?
N1 Cr4 C39 153.03(16) . . ?
N1 Cr4 C40 147.75(17) . . ?
N1 Cr4 C41 112.23(17) . . ?
N2 Cr4 Cr1 93.17(10) . . ?
N2 Cr4 Cr2 45.26(9) . . ?
N2 Cr4 Cr3 48.03(9) . . ?
N2 Cr4 N1 95.47(18) . . ?
N2 Cr4 C37 140.73(11) . . ?
N2 Cr4 C38 147.62(12) . . ?
N2 Cr4 C39 111.44(11) . . ?
N2 Cr4 C40 90.17(11) . . ?
N2 Cr4 C41 104.39(11) . . ?
N3 Cr4 Cr1 45.89(14) . . ?
N3 Cr4 Cr2 45.41(14) . . ?
N3 Cr4 Cr3 92.09(15) . . ?
N3 Cr4 C37 126.09(16) . . ?
N3 Cr4 C38 92.94(16) . . ?
N3 Cr4 C39 90.25(16) . . ?
N3 Cr4 C40 120.32(16) . . ?
N3 Cr4 C41 150.13(16) . . ?
C37 Cr4 Cr1 121.54(7) . . ?
C37 Cr4 Cr2 167.67(6) . . ?
C37 Cr4 Cr3 131.02(6) . . ?
C38 Cr4 Cr1 112.09(7) . . ?
C38 Cr4 Cr2 131.21(6) . . ?
C38 Cr4 Cr3 163.41(7) . . ?
C38 Cr4 C37 36.72(8) . . ?
C38 Cr4 C39 36.44(9) . . ?
C38 Cr4 C40 60.52(9) . . ?
C38 Cr4 C41 60.74(9) . . ?
C39 Cr4 Cr1 130.71(7) . . ?
C39 Cr4 Cr2 107.55(7) . . ?
C39 Cr4 Cr3 159.33(7) . . ?
C39 Cr4 C37 61.08(9) . . ?
C39 Cr4 C40 36.04(9) . . ?
C39 Cr4 C41 60.34(9) . . ?
C40 Cr4 Cr1 165.78(7) . . ?
C40 Cr4 Cr2 113.32(7) . . ?
C40 Cr4 Cr3 128.92(7) . . ?
C40 Cr4 C37 60.96(9) . . ?
C41 Cr4 Cr1 153.72(7) . . ?
C41 Cr4 Cr2 144.03(7) . . ?
C41 Cr4 Cr3 117.20(6) . . ?
C41 Cr4 C37 36.75(9) . . ?
C41 Cr4 C40 36.10(9) . . ?
C1 Si1 C11 115.22(13) . . ?
C10 Si1 C1 107.63(12) . . ?
C10 Si1 C11 104.60(13) . . ?
C12 Si1 C1 112.11(13) . . ?
C12 Si1 C10 108.52(15) . . ?
C12 Si1 C11 108.32(14) . . ?
C13 Si2 C22 114.85(13) . . ?
C23 Si2 C13 112.77(13) . . ?
C23 Si2 C22 108.03(14) . . ?
C23 Si2 C24 108.00(15) . . ?
C24 Si2 C13 107.89(13) . . ?
C24 Si2 C22 104.81(14) . . ?
C34 Si3 C25 112.69(12) . . ?
C34 Si3 C35 108.92(14) . . ?
C34 Si3 C36 109.14(14) . . ?
C35 Si3 C25 107.27(12) . . ?
C36 Si3 C25 114.52(13) . . ?
C36 Si3 C35 103.78(14) . . ?
C37 Si4 C48 114.12(12) . . ?
C46 Si4 C37 112.18(12) . . ?
C46 Si4 C47 108.80(14) . . ?
C46 Si4 C48 109.63(15) . . ?
C47 Si4 C37 108.29(13) . . ?
C47 Si4 C48 103.34(14) . . ?
Cr1 N1 Cr4 88.6(2) . . ?
Cr3 N1 Cr1 89.8(2) . . ?
Cr3 N1 Cr4 84.3(2) . . ?
Cr2 N2 Cr3 88.96(13) . . ?
Cr4 N2 Cr2 90.09(13) . . ?
Cr4 N2 Cr3 84.73(13) . . ?
Cr1 N3 Cr4 87.1(2) . . ?
Cr2 N3 Cr1 90.4(2) . . ?
Cr2 N3 Cr4 87.8(2) . . ?
Cr1 N4 Cr2 90.0(2) . . ?
Cr1 N4 Cr3 88.3(2) . . ?
Cr2 N4 Cr3 87.6(2) . . ?
Si1 C1 Cr1 136.19(13) . . ?
C2 C1 Cr1 71.08(14) . . ?
C2 C1 Si1 122.08(19) . . ?
C2 C1 C5 106.0(2) . . ?
C5 C1 Cr1 70.95(14) . . ?
C5 C1 Si1 129.51(19) . . ?
C1 C2 Cr1 72.58(14) . . ?
C1 C2 C6 127.8(2) . . ?
C3 C2 Cr1 72.53(14) . . ?
C3 C2 C1 109.3(2) . . ?
C3 C2 C6 122.2(2) . . ?
C6 C2 Cr1 129.02(18) . . ?
C2 C3 Cr1 71.44(14) . . ?
C2 C3 C7 124.3(2) . . ?
C4 C3 Cr1 71.71(14) . . ?
C4 C3 C2 107.6(2) . . ?
C4 C3 C7 127.6(2) . . ?
C7 C3 Cr1 128.31(18) . . ?
C3 C4 Cr1 72.42(14) . . ?
C3 C4 C5 108.3(2) . . ?
C3 C4 C8 126.6(2) . . ?
C5 C4 Cr1 71.63(14) . . ?
C5 C4 C8 124.8(2) . . ?
C8 C4 Cr1 126.86(18) . . ?
C1 C5 Cr1 72.67(14) . . ?
C1 C5 C9 127.7(2) . . ?
C4 C5 Cr1 72.24(14) . . ?
C4 C5 C1 108.8(2) . . ?
C4 C5 C9 123.0(2) . . ?
C9 C5 Cr1 127.37(18) . . ?
Si2 C13 Cr2 136.83(13) . . ?
C14 C13 Cr2 71.09(14) . . ?
C14 C13 Si2 121.94(19) . . ?
C14 C13 C17 106.2(2) . . ?
C17 C13 Cr2 70.90(14) . . ?
C17 C13 Si2 129.27(19) . . ?
C13 C14 Cr2 72.68(14) . . ?
C13 C14 C18 127.9(2) . . ?
C15 C14 Cr2 72.11(14) . . ?
C15 C14 C13 109.0(2) . . ?
C15 C14 C18 122.1(2) . . ?
C18 C14 Cr2 129.81(18) . . ?
C14 C15 Cr2 71.84(14) . . ?
C14 C15 C19 124.1(2) . . ?
C16 C15 Cr2 71.80(14) . . ?
C16 C15 C14 107.9(2) . . ?
C16 C15 C19 127.5(2) . . ?
C19 C15 Cr2 128.29(17) . . ?
C15 C16 Cr2 72.28(14) . . ?
C15 C16 C17 108.1(2) . . ?
C15 C16 C20 126.4(2) . . ?
C17 C16 Cr2 71.84(14) . . ?
C17 C16 C20 125.2(2) . . ?
C20 C16 Cr2 126.72(18) . . ?
C13 C17 Cr2 72.83(14) . . ?
C13 C17 C21 127.7(2) . . ?
C16 C17 Cr2 71.96(14) . . ?
C16 C17 C13 108.8(2) . . ?
C16 C17 C21 123.1(2) . . ?
C21 C17 Cr2 127.04(18) . . ?
Si3 C25 Cr3 136.69(13) . . ?
C26 C25 Cr3 70.91(13) . . ?
C26 C25 Si3 129.37(19) . . ?
C29 C25 Cr3 70.94(14) . . ?
C29 C25 Si3 122.14(19) . . ?
C29 C25 C26 106.0(2) . . ?
C25 C26 Cr3 72.48(13) . . ?
C25 C26 C30 127.7(2) . . ?
C27 C26 Cr3 71.89(14) . . ?
C27 C26 C25 108.7(2) . . ?
C27 C26 C30 123.1(2) . . ?
C30 C26 Cr3 127.66(17) . . ?
C26 C27 Cr3 71.66(14) . . ?
C26 C27 C31 126.2(2) . . ?
C28 C27 Cr3 72.49(14) . . ?
C28 C27 C26 108.1(2) . . ?
C28 C27 C31 125.5(2) . . ?
C31 C27 Cr3 126.07(18) . . ?
C27 C28 Cr3 71.45(14) . . ?
C27 C28 C29 107.8(2) . . ?
C27 C28 C32 126.2(2) . . ?
C29 C28 Cr3 71.30(14) . . ?
C29 C28 C32 125.5(2) . . ?
C32 C28 Cr3 128.82(18) . . ?
C25 C29 Cr3 72.51(14) . . ?
C25 C29 C33 127.4(2) . . ?
C28 C29 Cr3 72.56(14) . . ?
C28 C29 C25 109.3(2) . . ?
C28 C29 C33 122.7(2) . . ?
C33 C29 Cr3 127.67(17) . . ?
Si4 C37 Cr4 135.58(13) . . ?
C38 C37 Cr4 70.48(13) . . ?
C38 C37 Si4 129.89(19) . . ?
C38 C37 C41 105.8(2) . . ?
C41 C37 Cr4 70.80(13) . . ?
C41 C37 Si4 122.33(18) . . ?
C37 C38 Cr4 72.79(13) . . ?
C37 C38 C42 127.5(2) . . ?
C39 C38 Cr4 71.97(14) . . ?
C39 C38 C37 108.7(2) . . ?
C39 C38 C42 123.3(2) . . ?
C42 C38 Cr4 127.38(17) . . ?
C38 C39 Cr4 71.59(14) . . ?
C38 C39 C43 125.4(2) . . ?
C40 C39 Cr4 72.56(14) . . ?
C40 C39 C38 108.4(2) . . ?
C40 C39 C43 126.0(2) . . ?
C43 C39 Cr4 125.32(18) . . ?
C39 C40 Cr4 71.40(14) . . ?
C39 C40 C41 108.0(2) . . ?
C39 C40 C44 126.3(2) . . ?
C41 C40 Cr4 71.51(14) . . ?
C41 C40 C44 125.1(2) . . ?
C44 C40 Cr4 128.96(18) . . ?
C37 C41 Cr4 72.45(14) . . ?
C37 C41 C45 127.5(2) . . ?
C40 C41 Cr4 72.39(14) . . ?
C40 C41 C37 109.1(2) . . ?
C40 C41 C45 122.9(2) . . ?
C45 C41 Cr4 128.19(18) . . ?
C50 C49 C51 110.9(3) . 3_565 ?
C49 C50 C51 111.9(3) . . ?
C50 C51 C49 111.3(3) . 3_565 ?
C53 C52 C54 113.1(4) . 3_666 ?
C52 C53 C54 112.7(4) . . ?
C53 C54 C52 111.5(3) . 3_666 ?
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
Cr1 Cr2 2.8187(6) . ?
Cr1 Cr3 2.7792(6) . ?
Cr1 Cr4 2.7677(6) . ?
Cr1 N1 1.976(6) . ?
Cr1 N3 1.990(5) . ?
Cr1 N4 1.987(5) . ?
Cr1 C1 2.308(2) . ?
Cr1 C2 2.288(2) . ?
Cr1 C3 2.303(2) . ?
Cr1 C4 2.294(2) . ?
Cr1 C5 2.286(2) . ?
Cr2 Cr3 2.7707(6) . ?
Cr2 Cr4 2.7809(6) . ?
Cr2 N2 1.975(3) . ?
Cr2 N3 1.982(5) . ?
Cr2 N4 1.998(5) . ?
Cr2 C13 2.316(2) . ?
Cr2 C14 2.295(2) . ?
Cr2 C15 2.298(2) . ?
Cr2 C16 2.292(2) . ?
Cr2 C17 2.290(2) . ?
Cr3 Cr4 2.6506(5) . ?
Cr3 N1 1.962(5) . ?
Cr3 N2 1.979(3) . ?
Cr3 N4 2.004(5) . ?
Cr3 C25 2.293(2) . ?
Cr3 C26 2.272(2) . ?
Cr3 C27 2.275(2) . ?
Cr3 C28 2.288(2) . ?
Cr3 C29 2.272(2) . ?
Cr4 N1 1.987(6) . ?
Cr4 N2 1.954(3) . ?
Cr4 N3 2.027(5) . ?
Cr4 C37 2.297(2) . ?
Cr4 C38 2.266(2) . ?
Cr4 C39 2.271(2) . ?
Cr4 C40 2.286(2) . ?
Cr4 C41 2.275(2) . ?
Si1 C1 1.872(2) . ?
Si1 C10 1.871(3) . ?
Si1 C11 1.878(3) . ?
Si1 C12 1.865(3) . ?
Si2 C13 1.876(3) . ?
Si2 C22 1.876(3) . ?
Si2 C23 1.866(3) . ?
Si2 C24 1.873(3) . ?
Si3 C25 1.877(3) . ?
Si3 C34 1.869(3) . ?
Si3 C35 1.876(3) . ?
Si3 C36 1.871(3) . ?
Si4 C37 1.877(3) . ?
Si4 C46 1.872(3) . ?
Si4 C47 1.876(3) . ?
Si4 C48 1.878(3) . ?
C1 C2 1.433(3) . ?
C1 C5 1.434(3) . ?
C2 C3 1.420(3) . ?
C2 C6 1.500(3) . ?
C3 C4 1.415(3) . ?
C3 C7 1.498(3) . ?
C4 C5 1.420(3) . ?
C4 C8 1.501(3) . ?
C5 C9 1.500(3) . ?
C13 C14 1.434(3) . ?
C13 C17 1.434(3) . ?
C14 C15 1.421(3) . ?
C14 C18 1.499(4) . ?
C15 C16 1.415(3) . ?
C15 C19 1.505(3) . ?
C16 C17 1.424(3) . ?
C16 C20 1.497(3) . ?
C17 C21 1.498(3) . ?
C25 C26 1.434(3) . ?
C25 C29 1.432(3) . ?
C26 C27 1.422(4) . ?
C26 C30 1.496(3) . ?
C27 C28 1.412(4) . ?
C27 C31 1.499(4) . ?
C28 C29 1.415(4) . ?
C28 C32 1.500(4) . ?
C29 C33 1.506(3) . ?
C37 C38 1.438(3) . ?
C37 C41 1.441(3) . ?
C38 C39 1.419(4) . ?
C38 C42 1.494(3) . ?
C39 C40 1.410(4) . ?
C39 C43 1.496(4) . ?
C40 C41 1.413(4) . ?
C40 C44 1.499(4) . ?
C41 C45 1.501(3) . ?
C49 C50 1.494(5) . ?
C49 C51 1.521(5) 3_565 ?
C50 C51 1.498(5) . ?
C52 C53 1.455(6) . ?
C52 C54 1.513(5) 3_666 ?
C53 C54 1.496(6) . ?
