#------------------------------------------------------------------------------
#$Date: 2016-03-26 03:10:15 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180171 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/67/7106733.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_7106733
loop_
_publ_author_name
'Marisa J. Monreal'
'Saeed I. Khan'
'Jaqueline L. Kiplinger'
'Paula L. Diaconescu'
_publ_section_title
;
 Molecular quadrangle formation from a diuranium
 m-e⁶,e⁶-toluene complex
;
_journal_name_full               Chem.Commun.
_journal_page_first              9119
_journal_paper_doi               10.1039/c1cc12367j
_journal_volume                  47
_journal_year                    2011
_chemical_formula_moiety         'C51 H84 Fe2 N4 Si4 U2'
_chemical_formula_sum            'C51 H84 Fe2 N4 Si4 U2'
_chemical_formula_weight         1453.34
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.4720(10)
_cell_angle_beta                 118.8930(10)
_cell_angle_gamma                100.7300(10)
_cell_formula_units_Z            2
_cell_length_a                   14.3594(14)
_cell_length_b                   14.9877(14)
_cell_length_c                   15.2355(15)
_cell_measurement_reflns_used    4517
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.99
_cell_measurement_theta_min      3.83
_cell_volume                     2795.0(5)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1095
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            23597
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         3.83
_exptl_absorpt_coefficient_mu    6.407
_exptl_absorpt_correction_T_max  0.7400
_exptl_absorpt_correction_T_min  0.4973
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Twinabs (Bruker)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.727
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1420
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.011
_refine_diff_density_min         -1.628
_refine_diff_density_rms         0.264
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     590
_refine_ls_number_reflns         23597
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0984
_refine_ls_R_factor_gt           0.0522
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0357P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0931
_refine_ls_wR_factor_ref         0.1098
_reflns_number_gt                15546
_reflns_number_total             23597
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1cc12367j.txt
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7106733
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
_atom_site_disorder_assembly
_atom_site_disorder_group
U1 U 0.34034(2) 0.723166(17) 0.438837(18) 0.01578(7) Uani 1 1 d . . .
U2 U 0.31964(2) 0.712541(17) 0.149733(18) 0.01604(7) Uani 1 1 d . . .
Fe1 Fe 0.26233(8) 0.56212(6) -0.02583(7) 0.0174(2) Uani 1 1 d . . .
Fe2 Fe 0.51508(7) 0.77825(6) 0.66520(7) 0.0168(2) Uani 1 1 d . . .
Si1 Si 0.10469(16) 0.81566(13) -0.04937(14) 0.0205(4) Uani 1 1 d . . .
Si2 Si 0.52531(17) 0.82521(13) 0.09100(14) 0.0228(4) Uani 1 1 d . . .
Si3 Si 0.22720(15) 0.53808(13) 0.53704(14) 0.0204(4) Uani 1 1 d . . .
Si4 Si 0.18329(15) 0.87178(13) 0.49113(15) 0.0208(4) Uani 1 1 d . . .
N1 N 0.1722(4) 0.7304(4) 0.0016(4) 0.0179(12) Uani 1 1 d . . .
N2 N 0.4605(4) 0.7273(4) 0.1128(4) 0.0181(12) Uani 1 1 d . . .
N3 N 0.2968(4) 0.8332(4) 0.5104(4) 0.0185(12) Uani 1 1 d . . .
N4 N 0.3361(4) 0.6016(4) 0.5313(4) 0.0168(12) Uani 1 1 d . . .
C1 C 0.3635(5) 0.8149(5) 0.3044(5) 0.0197(15) Uani 1 1 d . . .
H1 H 0.3847 0.8779 0.3069 0.024 Uiso 1 1 calc R . .
C2 C 0.2499(5) 0.7707(4) 0.2614(5) 0.0187(14) Uani 1 1 d . . .
H2 H 0.1980 0.8061 0.2409 0.022 Uiso 1 1 calc R . .
C3 C 0.2155(5) 0.6726(5) 0.2498(5) 0.0223(16) Uani 1 1 d . . .
H3 H 0.1424 0.6453 0.2262 0.027 Uiso 1 1 calc R . .
C4 C 0.2951(6) 0.6153(5) 0.2752(5) 0.0213(16) Uani 1 1 d . . .
C5 C 0.4093(6) 0.6608(5) 0.3272(5) 0.0226(16) Uani 1 1 d . . .
H5 H 0.4613 0.6255 0.3506 0.027 Uiso 1 1 calc R . .
C6 C 0.4456(6) 0.7590(5) 0.3442(5) 0.0215(16) Uani 1 1 d . . .
H6 H 0.5197 0.7867 0.3797 0.026 Uiso 1 1 calc R . .
C7 C 0.4075(5) 0.5587(4) 0.1052(5) 0.0199(15) Uani 1 1 d . . .
H7 H 0.4172 0.5584 0.1701 0.024 Uiso 1 1 calc R . .
C8 C 0.4275(5) 0.6383(5) 0.0617(5) 0.0186(15) Uani 1 1 d . . .
C9 C 0.3986(6) 0.6070(5) -0.0396(5) 0.0237(16) Uani 1 1 d . . .
H9 H 0.4005 0.6441 -0.0870 0.028 Uiso 1 1 calc R . .
C10 C 0.3663(6) 0.5100(5) -0.0559(5) 0.0234(16) Uani 1 1 d . . .
H10 H 0.3461 0.4725 -0.1147 0.028 Uiso 1 1 calc R . .
C11 C 0.3704(6) 0.4803(5) 0.0327(5) 0.0233(16) Uani 1 1 d . . .
H11 H 0.3519 0.4198 0.0421 0.028 Uiso 1 1 calc R . .
C12 C 0.1470(5) 0.6423(4) -0.0487(5) 0.0162(14) Uani 1 1 d . . .
C13 C 0.1468(5) 0.6145(5) -0.1402(5) 0.0212(15) Uani 1 1 d . . .
H13 H 0.1613 0.6537 -0.1807 0.025 Uiso 1 1 calc R . .
C14 C 0.1207(6) 0.5172(5) -0.1580(5) 0.0269(17) Uani 1 1 d . . .
H14 H 0.1125 0.4819 -0.2134 0.032 Uiso 1 1 calc R . .
C15 C 0.1091(5) 0.4829(5) -0.0774(5) 0.0252(16) Uani 1 1 d . . .
H15 H 0.0930 0.4213 -0.0706 0.030 Uiso 1 1 calc R . .
C16 C 0.1262(5) 0.5577(5) -0.0089(5) 0.0209(15) Uani 1 1 d . . .
H16 H 0.1245 0.5538 0.0512 0.025 Uiso 1 1 calc R . .
C17 C 0.4423(5) 0.6361(4) 0.6116(5) 0.0149(14) Uani 1 1 d . . .
C18 C 0.5337(5) 0.6655(5) 0.5969(5) 0.0207(15) Uani 1 1 d . . .
H18 H 0.5324 0.6621 0.5353 0.025 Uiso 1 1 calc R . .
C19 C 0.6276(5) 0.7013(5) 0.6937(5) 0.0226(16) Uani 1 1 d . . .
H19 H 0.6984 0.7238 0.7062 0.027 Uiso 1 1 calc R . .
C20 C 0.5941(5) 0.6964(5) 0.7661(5) 0.0230(16) Uani 1 1 d . . .
H20 H 0.6396 0.7151 0.8352 0.028 Uiso 1 1 calc R . .
C21 C 0.4798(6) 0.6586(4) 0.7179(5) 0.0224(15) Uani 1 1 d . . .
H21 H 0.4373 0.6499 0.7489 0.027 Uiso 1 1 calc R . .
C22 C 0.5000(6) 0.8943(4) 0.5905(5) 0.0216(15) Uani 1 1 d . . .
H22 H 0.5036 0.9004 0.5315 0.026 Uiso 1 1 calc R . .
C23 C 0.5916(6) 0.9134(4) 0.6910(5) 0.0225(16) Uani 1 1 d . . .
H23 H 0.6644 0.9344 0.7090 0.027 Uiso 1 1 calc R . .
C24 C 0.5508(6) 0.8943(5) 0.7573(5) 0.0271(17) Uani 1 1 d . . .
H24 H 0.5928 0.9022 0.8274 0.033 Uiso 1 1 calc R . .
C25 C 0.4358(5) 0.8612(4) 0.7011(5) 0.0201(15) Uani 1 1 d . . .
H25 H 0.3908 0.8413 0.7279 0.024 Uiso 1 1 calc R . .
C26 C 0.4007(5) 0.8637(4) 0.5950(5) 0.0152(14) Uani 1 1 d . . .
C27 C 0.1924(6) 0.9240(5) 0.0371(6) 0.0295(18) Uani 1 1 d . . .
H27A H 0.2079 0.9160 0.1048 0.044 Uiso 1 1 calc R . .
H27B H 0.1547 0.9728 0.0155 0.044 Uiso 1 1 calc R . .
H27C H 0.2595 0.9390 0.0356 0.044 Uiso 1 1 calc R . .
C28 C 0.0830(6) 0.8296(5) -0.1794(5) 0.0349(19) Uani 1 1 d . . .
H28A H 0.1517 0.8380 -0.1780 0.052 Uiso 1 1 calc R . .
H28B H 0.0526 0.8820 -0.2015 0.052 Uiso 1 1 calc R . .
H28C H 0.0337 0.7758 -0.2254 0.052 Uiso 1 1 calc R . .
C29 C -0.0346(6) 0.7909(5) -0.0571(5) 0.0269(17) Uani 1 1 d . . .
C30 C -0.0974(6) 0.6946(5) -0.1100(6) 0.0308(18) Uani 1 1 d . . .
H30A H -0.0577 0.6512 -0.0722 0.046 Uiso 1 1 calc R . .
H30B H -0.1067 0.6885 -0.1768 0.046 Uiso 1 1 calc R . .
H30C H -0.1678 0.6831 -0.1145 0.046 Uiso 1 1 calc R . .
C31 C -0.0999(6) 0.8619(5) -0.1150(6) 0.039(2) Uani 1 1 d . . .
H31A H -0.1157 0.8543 -0.1840 0.058 Uiso 1 1 calc R . .
H31B H -0.0574 0.9227 -0.0835 0.058 Uiso 1 1 calc R . .
H31C H -0.1670 0.8525 -0.1135 0.058 Uiso 1 1 calc R . .
C32 C -0.0208(6) 0.7996(6) 0.0499(6) 0.038(2) Uani 1 1 d . . .
H32A H -0.0906 0.7786 0.0454 0.057 Uiso 1 1 calc R . .
H32B H 0.0085 0.8625 0.0801 0.057 Uiso 1 1 calc R . .
H32C H 0.0281 0.7629 0.0908 0.057 Uiso 1 1 calc R . .
C33 C 0.1718(7) 0.8820(6) 0.6077(6) 0.038(2) Uani 1 1 d . . .
H33A H 0.1722 0.8242 0.6333 0.056 Uiso 1 1 calc R . .
H33B H 0.1048 0.8993 0.5917 0.056 Uiso 1 1 calc R . .
H33C H 0.2324 0.9278 0.6579 0.056 Uiso 1 1 calc R . .
C34 C 0.0636(6) 0.7858(5) 0.3920(6) 0.037(2) Uani 1 1 d . . .
H34A H 0.0746 0.7743 0.3358 0.055 Uiso 1 1 calc R . .
H34B H -0.0012 0.8090 0.3695 0.055 Uiso 1 1 calc R . .
H34C H 0.0555 0.7299 0.4195 0.055 Uiso 1 1 calc R . .
C35 C 0.1840(6) 0.9874(5) 0.4426(5) 0.0247(16) Uani 1 1 d . . .
C36 C 0.0921(6) 1.0287(5) 0.4397(6) 0.034(2) Uani 1 1 d . . .
H36A H 0.1058 1.0423 0.5074 0.051 Uiso 1 1 calc R . .
H36B H 0.0233 0.9855 0.4009 0.051 Uiso 1 1 calc R . .
H36C H 0.0898 1.0840 0.4091 0.051 Uiso 1 1 calc R . .
C37 C 0.1635(7) 0.9749(5) 0.3337(5) 0.035(2) Uani 1 1 d . . .
H37A H 0.1660 1.0334 0.3098 0.053 Uiso 1 1 calc R . .
H37B H 0.0930 0.9353 0.2909 0.053 Uiso 1 1 calc R . .
H37C H 0.2188 0.9482 0.3326 0.053 Uiso 1 1 calc R . .
C38 C 0.2028(6) 0.5933(5) 0.6339(5) 0.0321(18) Uani 1 1 d . . .
H38A H 0.2522 0.5805 0.6998 0.048 Uiso 1 1 calc R . .
H38B H 0.1289 0.5693 0.6184 0.048 Uiso 1 1 calc R . .
H38C H 0.2147 0.6584 0.6329 0.048 Uiso 1 1 calc R . .
C39 C 0.2447(5) 0.4173(5) 0.5647(5) 0.0206(15) Uani 1 1 d . . .
C40 C 0.1457(6) 0.3616(5) 0.5685(7) 0.043(2) Uani 1 1 d . . .
H40A H 0.1575 0.3020 0.5858 0.065 Uiso 1 1 calc R . .
H40B H 0.0814 0.3553 0.5035 0.065 Uiso 1 1 calc R . .
H40C H 0.1363 0.3928 0.6185 0.065 Uiso 1 1 calc R . .
C41 C 0.5128(6) 0.9206(5) 0.1631(6) 0.0323(18) Uani 1 1 d . . .
H41A H 0.4383 0.9264 0.1305 0.048 Uiso 1 1 calc R . .
H41B H 0.5589 0.9768 0.1651 0.048 Uiso 1 1 calc R . .
H41C H 0.5348 0.9076 0.2309 0.048 Uiso 1 1 calc R . .
C42 C 0.4595(8) 0.8424(6) -0.0466(6) 0.059(3) Uani 1 1 d . . .
H42A H 0.4743 0.7991 -0.0831 0.088 Uiso 1 1 calc R . .
H42B H 0.4886 0.9035 -0.0525 0.088 Uiso 1 1 calc R . .
H42C H 0.3820 0.8332 -0.0742 0.088 Uiso 1 1 calc R . .
C43 C 0.6746(7) 0.8292(5) 0.1407(6) 0.035(2) Uani 1 1 d . . .
C44 C 0.7345(6) 0.8367(6) 0.2546(7) 0.049(2) Uani 1 1 d . . .
H44A H 0.6964 0.7903 0.2755 0.074 Uiso 1 1 calc R . .
H44B H 0.7381 0.8961 0.2828 0.074 Uiso 1 1 calc R . .
H44C H 0.8072 0.8284 0.2781 0.074 Uiso 1 1 calc R . .
C45 C 0.7289(8) 0.9137(6) 0.1118(8) 0.062(3) Uani 1 1 d . . .
H45A H 0.7018 0.9056 0.0402 0.093 Uiso 1 1 calc R . .
H45B H 0.8067 0.9201 0.1471 0.093 Uiso 1 1 calc R . .
H45C H 0.7119 0.9678 0.1301 0.093 Uiso 1 1 calc R . .
C46 C 0.6889(8) 0.7429(7) 0.0977(9) 0.074(3) Uani 1 1 d U . .
H46A H 0.7634 0.7508 0.1134 0.111 Uiso 1 1 calc R . .
H46B H 0.6418 0.7322 0.0257 0.111 Uiso 1 1 calc R . .
H46C H 0.6703 0.6915 0.1271 0.111 Uiso 1 1 calc R . .
C47 C 0.2936(6) 1.0537(5) 0.5097(6) 0.0337(19) Uani 1 1 d . . .
H47A H 0.2974 1.1081 0.4786 0.051 Uiso 1 1 calc R . .
H47B H 0.3516 1.0252 0.5183 0.051 Uiso 1 1 calc R . .
H47C H 0.3009 1.0696 0.5745 0.051 Uiso 1 1 calc R . .
C48 C 0.1048(5) 0.5324(5) 0.4103(5) 0.0298(18) Uani 1 1 d . . .
H48A H 0.0962 0.5933 0.3962 0.045 Uiso 1 1 calc R . .
H48B H 0.0410 0.4982 0.4099 0.045 Uiso 1 1 calc R . .
H48C H 0.1143 0.5027 0.3594 0.045 Uiso 1 1 calc R . .
C49 C 0.2581(7) 0.3680(5) 0.4829(6) 0.041(2) Uani 1 1 d . . .
H49A H 0.2700 0.3082 0.4994 0.062 Uiso 1 1 calc R . .
H49B H 0.3195 0.4030 0.4799 0.062 Uiso 1 1 calc R . .
H49C H 0.1932 0.3621 0.4185 0.062 Uiso 1 1 calc R . .
C50 C 0.3486(6) 0.4223(5) 0.6666(5) 0.0325(19) Uani 1 1 d . . .
H50A H 0.3413 0.4505 0.7196 0.049 Uiso 1 1 calc R . .
H50B H 0.4103 0.4580 0.6648 0.049 Uiso 1 1 calc R . .
H50C H 0.3592 0.3616 0.6793 0.049 Uiso 1 1 calc R . .
C51 C 0.2606(7) 0.5117(5) 0.2666(6) 0.038(2) Uani 1 1 d . . .
H51A H 0.2852 0.4830 0.2271 0.057 Uiso 1 1 calc R . .
H51B H 0.1824 0.4934 0.2344 0.057 Uiso 1 1 calc R . .
H51C H 0.2924 0.4933 0.3330 0.057 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'
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'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
U U -9.6767 9.6646 '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
N3 U1 N4 102.66(18) . . ?
N3 U1 C3 116.4(2) . . ?
N4 U1 C3 111.2(2) . . ?
N3 U1 C6 123.4(2) . . ?
N4 U1 C6 128.8(2) . . ?
C3 U1 C6 69.3(2) . . ?
N3 U1 C2 95.0(2) . . ?
N4 U1 C2 143.3(2) . . ?
C3 U1 C2 32.8(2) . . ?
C6 U1 C2 58.8(2) . . ?
N3 U1 C5 155.3(2) . . ?
N4 U1 C5 101.5(2) . . ?
C3 U1 C5 58.1(2) . . ?
C6 U1 C5 32.6(2) . . ?
C2 U1 C5 67.91(19) . . ?
N3 U1 C1 98.3(2) . . ?
N4 U1 C1 159.07(19) . . ?
C3 U1 C1 58.1(2) . . ?
C6 U1 C1 33.1(2) . . ?
C2 U1 C1 32.3(2) . . ?
C5 U1 C1 57.7(2) . . ?
N3 U1 C4 149.0(2) . . ?
N4 U1 C4 94.21(19) . . ?
C3 U1 C4 32.6(2) . . ?
C6 U1 C4 57.9(2) . . ?
C2 U1 C4 57.6(2) . . ?
C5 U1 C4 31.9(2) . . ?
C1 U1 C4 67.2(2) . . ?
N3 U1 Fe2 69.98(13) . . ?
N4 U1 Fe2 69.09(13) . . ?
C3 U1 Fe2 172.87(15) . . ?
C6 U1 Fe2 104.73(16) . . ?
C2 U1 Fe2 147.56(15) . . ?
C5 U1 Fe2 114.73(15) . . ?
C1 U1 Fe2 119.10(15) . . ?
C4 U1 Fe2 140.99(15) . . ?
N1 U2 N2 104.34(19) . . ?
N1 U2 C1 115.6(2) . . ?
N2 U2 C1 114.7(2) . . ?
N1 U2 C4 121.3(2) . . ?
N2 U2 C4 126.7(2) . . ?
C1 U2 C4 70.4(2) . . ?
N1 U2 C2 93.95(19) . . ?
N2 U2 C2 147.4(2) . . ?
C1 U2 C2 33.0(2) . . ?
C4 U2 C2 59.1(2) . . ?
N1 U2 C5 153.2(2) . . ?
N2 U2 C5 101.2(2) . . ?
C1 U2 C5 58.8(2) . . ?
C4 U2 C5 32.6(2) . . ?
C2 U2 C5 67.76(19) . . ?
N1 U2 C6 148.9(2) . . ?
N2 U2 C6 95.7(2) . . ?
C1 U2 C6 33.3(2) . . ?
C4 U2 C6 58.6(2) . . ?
C2 U2 C6 58.1(2) . . ?
C5 U2 C6 32.2(2) . . ?
N1 U2 C3 96.81(19) . . ?
N2 U2 C3 158.26(19) . . ?
C1 U2 C3 58.4(2) . . ?
C4 U2 C3 32.9(2) . . ?
C2 U2 C3 32.3(2) . . ?
C5 U2 C3 57.2(2) . . ?
C6 U2 C3 67.4(2) . . ?
N1 U2 Fe1 68.93(13) . . ?
N2 U2 Fe1 69.06(13) . . ?
C1 U2 Fe1 171.88(15) . . ?
C4 U2 Fe1 101.52(15) . . ?
C2 U2 Fe1 143.51(15) . . ?
C5 U2 Fe1 113.93(15) . . ?
C6 U2 Fe1 141.59(15) . . ?
C3 U2 Fe1 115.30(15) . . ?
C14 Fe1 C10 100.4(3) . . ?
C14 Fe1 C11 120.0(3) . . ?
C10 Fe1 C11 40.6(3) . . ?
C14 Fe1 C13 40.9(3) . . ?
C10 Fe1 C13 117.1(3) . . ?
C11 Fe1 C13 154.6(3) . . ?
C14 Fe1 C15 40.6(3) . . ?
C10 Fe1 C15 117.8(3) . . ?
C11 Fe1 C15 107.9(3) . . ?
C13 Fe1 C15 68.6(3) . . ?
C14 Fe1 C9 115.3(3) . . ?
C10 Fe1 C9 40.5(3) . . ?
C11 Fe1 C9 68.0(3) . . ?
C13 Fe1 C9 102.6(3) . . ?
C15 Fe1 C9 151.7(3) . . ?
C14 Fe1 C16 67.9(3) . . ?
C10 Fe1 C16 156.1(3) . . ?
C11 Fe1 C16 126.0(3) . . ?
C13 Fe1 C16 68.5(3) . . ?
C15 Fe1 C16 40.0(3) . . ?
C9 Fe1 C16 163.2(3) . . ?
C14 Fe1 C7 159.5(3) . . ?
C10 Fe1 C7 67.6(3) . . ?
C11 Fe1 C7 40.3(2) . . ?
C13 Fe1 C7 159.3(3) . . ?
C15 Fe1 C7 128.9(3) . . ?
C9 Fe1 C7 67.1(3) . . ?
C16 Fe1 C7 116.2(3) . . ?
C14 Fe1 C12 68.0(3) . . ?
C10 Fe1 C12 155.8(3) . . ?
C11 Fe1 C12 163.5(3) . . ?
C13 Fe1 C12 40.5(2) . . ?
C15 Fe1 C12 67.9(3) . . ?
C9 Fe1 C12 123.5(3) . . ?
C16 Fe1 C12 40.7(2) . . ?
C7 Fe1 C12 129.2(2) . . ?
C14 Fe1 C8 152.7(3) . . ?
C10 Fe1 C8 67.4(3) . . ?
C11 Fe1 C8 67.3(3) . . ?
C13 Fe1 C8 121.3(3) . . ?
C15 Fe1 C8 166.7(3) . . ?
C9 Fe1 C8 39.8(2) . . ?
C16 Fe1 C8 131.8(3) . . ?
C7 Fe1 C8 39.5(2) . . ?
C12 Fe1 C8 112.9(2) . . ?
C14 Fe1 U2 129.4(2) . . ?
C10 Fe1 U2 128.2(2) . . ?
C11 Fe1 U2 107.31(19) . . ?
C13 Fe1 U2 97.16(18) . . ?
C15 Fe1 U2 110.1(2) . . ?
C9 Fe1 U2 97.49(19) . . ?
C16 Fe1 U2 70.48(18) . . ?
C7 Fe1 U2 67.73(18) . . ?
C12 Fe1 U2 61.78(17) . . ?
C8 Fe1 U2 61.68(17) . . ?
C20 Fe2 C24 101.6(3) . . ?
C20 Fe2 C19 40.3(3) . . ?
C24 Fe2 C19 121.5(3) . . ?
C20 Fe2 C23 117.5(3) . . ?
C24 Fe2 C23 40.3(3) . . ?
C19 Fe2 C23 108.3(3) . . ?
C20 Fe2 C25 118.5(3) . . ?
C24 Fe2 C25 40.6(3) . . ?
C19 Fe2 C25 156.1(3) . . ?
C23 Fe2 C25 68.5(3) . . ?
C20 Fe2 C21 40.8(3) . . ?
C24 Fe2 C21 114.7(3) . . ?
C19 Fe2 C21 68.4(3) . . ?
C23 Fe2 C21 150.6(3) . . ?
C25 Fe2 C21 102.3(3) . . ?
C20 Fe2 C18 67.7(3) . . ?
C24 Fe2 C18 161.2(3) . . ?
C19 Fe2 C18 40.5(2) . . ?
C23 Fe2 C18 129.6(3) . . ?
C25 Fe2 C18 157.9(3) . . ?
C21 Fe2 C18 67.9(3) . . ?
C20 Fe2 C22 156.2(3) . . ?
C24 Fe2 C22 67.2(3) . . ?
C19 Fe2 C22 126.5(3) . . ?
C23 Fe2 C22 40.5(2) . . ?
C25 Fe2 C22 67.5(3) . . ?
C21 Fe2 C22 162.7(3) . . ?
C18 Fe2 C22 116.3(3) . . ?
C20 Fe2 C17 67.3(3) . . ?
C24 Fe2 C17 152.1(3) . . ?
C19 Fe2 C17 67.2(3) . . ?
C23 Fe2 C17 167.5(3) . . ?
C25 Fe2 C17 120.6(3) . . ?
C21 Fe2 C17 40.3(2) . . ?
C18 Fe2 C17 39.5(2) . . ?
C22 Fe2 C17 131.9(2) . . ?
C20 Fe2 C26 156.8(3) . . ?
C24 Fe2 C26 67.4(3) . . ?
C19 Fe2 C26 162.7(3) . . ?
C23 Fe2 C26 68.0(3) . . ?
C25 Fe2 C26 40.1(2) . . ?
C21 Fe2 C26 123.5(3) . . ?
C18 Fe2 C26 128.1(2) . . ?
C22 Fe2 C26 39.9(2) . . ?
C17 Fe2 C26 112.5(2) . . ?
C20 Fe2 U1 128.0(2) . . ?
C24 Fe2 U1 128.8(2) . . ?
C19 Fe2 U1 106.18(19) . . ?
C23 Fe2 U1 110.09(19) . . ?
C25 Fe2 U1 96.87(18) . . ?
C21 Fe2 U1 98.52(18) . . ?
C18 Fe2 U1 66.50(18) . . ?
C22 Fe2 U1 70.11(18) . . ?
C17 Fe2 U1 61.97(16) . . ?
C26 Fe2 U1 61.78(17) . . ?
N1 Si1 C27 106.3(3) . . ?
N1 Si1 C28 112.7(3) . . ?
C27 Si1 C28 109.0(4) . . ?
N1 Si1 C29 110.6(3) . . ?
C27 Si1 C29 110.0(3) . . ?
C28 Si1 C29 108.2(3) . . ?
N2 Si2 C41 104.7(3) . . ?
N2 Si2 C43 112.0(3) . . ?
C41 Si2 C43 108.8(3) . . ?
N2 Si2 C42 113.3(3) . . ?
C41 Si2 C42 108.5(4) . . ?
C43 Si2 C42 109.3(4) . . ?
N4 Si3 C48 106.2(3) . . ?
N4 Si3 C38 112.5(3) . . ?
C48 Si3 C38 107.8(3) . . ?
N4 Si3 C39 111.7(3) . . ?
C48 Si3 C39 109.5(3) . . ?
C38 Si3 C39 109.1(3) . . ?
N3 Si4 C34 105.8(3) . . ?
N3 Si4 C33 112.9(3) . . ?
C34 Si4 C33 109.6(4) . . ?
N3 Si4 C35 110.9(3) . . ?
C34 Si4 C35 108.8(3) . . ?
C33 Si4 C35 108.7(3) . . ?
C12 N1 Si1 125.1(4) . . ?
C12 N1 U2 97.0(4) . . ?
Si1 N1 U2 137.8(3) . . ?
C8 N2 Si2 128.1(4) . . ?
C8 N2 U2 95.8(4) . . ?
Si2 N2 U2 127.1(3) . . ?
C26 N3 Si4 124.2(4) . . ?
C26 N3 U1 96.5(4) . . ?
Si4 N3 U1 139.1(3) . . ?
C17 N4 Si3 127.5(4) . . ?
C17 N4 U1 94.3(4) . . ?
Si3 N4 U1 128.8(3) . . ?
C2 C1 C6 119.1(6) . . ?
C2 C1 U2 75.3(4) . . ?
C6 C1 U2 76.7(4) . . ?
C2 C1 U1 71.8(4) . . ?
C6 C1 U1 71.1(4) . . ?
U2 C1 U1 112.6(3) . . ?
C2 C1 H1 120.5 . . ?
C6 C1 H1 120.5 . . ?
U2 C1 H1 118.5 . . ?
U1 C1 H1 128.9 . . ?
C3 C2 C1 120.9(6) . . ?
C3 C2 U1 73.0(4) . . ?
C1 C2 U1 75.9(4) . . ?
C3 C2 U2 76.0(4) . . ?
C1 C2 U2 71.8(4) . . ?
U1 C2 U2 112.8(2) . . ?
C3 C2 H2 119.5 . . ?
C1 C2 H2 119.5 . . ?
U1 C2 H2 122.9 . . ?
U2 C2 H2 124.3 . . ?
C2 C3 C4 120.3(6) . . ?
C2 C3 U1 74.2(4) . . ?
C4 C3 U1 78.1(4) . . ?
C2 C3 U2 71.8(4) . . ?
C4 C3 U2 71.1(4) . . ?
U1 C3 U2 111.5(2) . . ?
C2 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
U1 C3 H3 118.7 . . ?
U2 C3 H3 129.8 . . ?
C5 C4 C3 117.6(6) . . ?
C5 C4 C51 120.4(6) . . ?
C3 C4 C51 120.8(7) . . ?
C5 C4 U2 75.0(4) . . ?
C3 C4 U2 76.0(4) . . ?
C51 C4 U2 129.3(4) . . ?
C5 C4 U1 70.7(4) . . ?
C3 C4 U1 69.3(4) . . ?
C51 C4 U1 120.8(4) . . ?
U2 C4 U1 109.8(2) . . ?
C6 C5 C4 122.3(6) . . ?
C6 C5 U1 72.7(4) . . ?
C4 C5 U1 77.3(4) . . ?
C6 C5 U2 74.6(4) . . ?
C4 C5 U2 72.3(4) . . ?
U1 C5 U2 111.5(2) . . ?
C6 C5 H5 118.9 . . ?
C4 C5 H5 118.9 . . ?
U1 C5 H5 122.4 . . ?
U2 C5 H5 126.1 . . ?
C5 C6 C1 118.8(6) . . ?
C5 C6 U1 74.7(4) . . ?
C1 C6 U1 75.9(4) . . ?
C5 C6 U2 73.2(4) . . ?
C1 C6 U2 70.0(4) . . ?
U1 C6 U2 111.7(3) . . ?
C5 C6 H6 120.6 . . ?
C1 C6 H6 120.6 . . ?
U1 C6 H6 119.9 . . ?
U2 C6 H6 128.4 . . ?
C11 C7 C8 108.5(6) . . ?
C11 C7 Fe1 67.8(4) . . ?
C8 C7 Fe1 72.1(4) . . ?
C11 C7 H7 125.7 . . ?
C8 C7 H7 125.7 . . ?
Fe1 C7 H7 125.9 . . ?
N2 C8 C7 122.4(6) . . ?
N2 C8 C9 130.8(6) . . ?
C7 C8 C9 106.5(6) . . ?
N2 C8 Fe1 125.2(4) . . ?
C7 C8 Fe1 68.4(4) . . ?
C9 C8 Fe1 67.1(4) . . ?
C10 C9 C8 108.7(6) . . ?
C10 C9 Fe1 68.7(4) . . ?
C8 C9 Fe1 73.1(4) . . ?
C10 C9 H9 125.6 . . ?
C8 C9 H9 125.6 . . ?
Fe1 C9 H9 124.1 . . ?
C11 C10 C9 108.0(6) . . ?
C11 C10 Fe1 69.8(4) . . ?
C9 C10 Fe1 70.7(4) . . ?
C11 C10 H10 126.0 . . ?
C9 C10 H10 126.0 . . ?
Fe1 C10 H10 125.1 . . ?
C10 C11 C7 108.1(6) . . ?
C10 C11 Fe1 69.6(4) . . ?
C7 C11 Fe1 71.9(4) . . ?
C10 C11 H11 125.9 . . ?
C7 C11 H11 125.9 . . ?
Fe1 C11 H11 124.1 . . ?
N1 C12 C13 129.6(6) . . ?
N1 C12 C16 124.2(6) . . ?
C13 C12 C16 105.9(6) . . ?
N1 C12 Fe1 125.0(4) . . ?
C13 C12 Fe1 66.7(4) . . ?
C16 C12 Fe1 68.1(4) . . ?
C14 C13 C12 108.4(6) . . ?
C14 C13 Fe1 69.0(4) . . ?
C12 C13 Fe1 72.9(4) . . ?
C14 C13 H13 125.8 . . ?
C12 C13 H13 125.8 . . ?
Fe1 C13 H13 123.9 . . ?
C15 C14 C13 108.6(6) . . ?
C15 C14 Fe1 70.3(4) . . ?
C13 C14 Fe1 70.1(4) . . ?
C15 C14 H14 125.7 . . ?
C13 C14 H14 125.7 . . ?
Fe1 C14 H14 125.5 . . ?
C14 C15 C16 108.7(6) . . ?
C14 C15 Fe1 69.1(4) . . ?
C16 C15 Fe1 71.4(4) . . ?
C14 C15 H15 125.7 . . ?
C16 C15 H15 125.7 . . ?
Fe1 C15 H15 125.4 . . ?
C15 C16 C12 108.2(6) . . ?
C15 C16 Fe1 68.5(4) . . ?
C12 C16 Fe1 71.2(4) . . ?
C15 C16 H16 125.9 . . ?
C12 C16 H16 125.9 . . ?
Fe1 C16 H16 125.9 . . ?
N4 C17 C18 122.8(6) . . ?
N4 C17 C21 129.4(6) . . ?
C18 C17 C21 107.4(6) . . ?
N4 C17 Fe2 124.5(4) . . ?
C18 C17 Fe2 68.4(4) . . ?
C21 C17 Fe2 67.1(4) . . ?
C17 C18 C19 108.0(6) . . ?
C17 C18 Fe2 72.0(4) . . ?
C19 C18 Fe2 68.1(4) . . ?
C17 C18 H18 126.0 . . ?
C19 C18 H18 126.0 . . ?
Fe2 C18 H18 125.5 . . ?
C20 C19 C18 107.9(6) . . ?
C20 C19 Fe2 69.0(4) . . ?
C18 C19 Fe2 71.4(4) . . ?
C20 C19 H19 126.0 . . ?
C18 C19 H19 126.0 . . ?
Fe2 C19 H19 125.1 . . ?
C19 C20 C21 109.5(6) . . ?
C19 C20 Fe2 70.7(4) . . ?
C21 C20 Fe2 71.1(4) . . ?
C19 C20 H20 125.2 . . ?
C21 C20 H20 125.2 . . ?
Fe2 C20 H20 124.6 . . ?
C20 C21 C17 107.0(6) . . ?
C20 C21 Fe2 68.1(4) . . ?
C17 C21 Fe2 72.6(4) . . ?
C20 C21 H21 126.5 . . ?
C17 C21 H21 126.5 . . ?
Fe2 C21 H21 124.4 . . ?
C23 C22 C26 109.2(6) . . ?
C23 C22 Fe2 68.0(4) . . ?
C26 C22 Fe2 72.4(4) . . ?
C23 C22 H22 125.4 . . ?
C26 C22 H22 125.4 . . ?
Fe2 C22 H22 125.8 . . ?
C24 C23 C22 107.1(6) . . ?
C24 C23 Fe2 69.2(4) . . ?
C22 C23 Fe2 71.5(4) . . ?
C24 C23 H23 126.4 . . ?
C22 C23 H23 126.4 . . ?
Fe2 C23 H23 124.5 . . ?
C23 C24 C25 109.7(6) . . ?
C23 C24 Fe2 70.5(4) . . ?
C25 C24 Fe2 70.9(4) . . ?
C23 C24 H24 125.1 . . ?
C25 C24 H24 125.1 . . ?
Fe2 C24 H24 125.1 . . ?
C24 C25 C26 108.4(6) . . ?
C24 C25 Fe2 68.5(4) . . ?
C26 C25 Fe2 73.6(3) . . ?
C24 C25 H25 125.8 . . ?
C26 C25 H25 125.8 . . ?
Fe2 C25 H25 123.7 . . ?
N3 C26 C25 129.7(6) . . ?
N3 C26 C22 124.4(6) . . ?
C25 C26 C22 105.4(6) . . ?
N3 C26 Fe2 124.2(4) . . ?
C25 C26 Fe2 66.4(3) . . ?
C22 C26 Fe2 67.7(4) . . ?
Si1 C27 H27A 109.5 . . ?
Si1 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si1 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si1 C28 H28A 109.5 . . ?
Si1 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si1 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C30 C29 C32 108.8(6) . . ?
C30 C29 C31 110.2(6) . . ?
C32 C29 C31 107.5(6) . . ?
C30 C29 Si1 110.0(5) . . ?
C32 C29 Si1 110.4(5) . . ?
C31 C29 Si1 109.8(5) . . ?
C29 C30 H30A 109.5 . . ?
C29 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
C29 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
C29 C31 H31A 109.5 . . ?
C29 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C29 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C29 C32 H32A 109.5 . . ?
C29 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C29 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si4 C33 H33A 109.5 . . ?
Si4 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si4 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si4 C34 H34A 109.5 . . ?
Si4 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si4 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C47 C35 C37 109.5(6) . . ?
C47 C35 C36 109.2(6) . . ?
C37 C35 C36 107.3(6) . . ?
C47 C35 Si4 110.3(5) . . ?
C37 C35 Si4 109.3(5) . . ?
C36 C35 Si4 111.2(5) . . ?
C35 C36 H36A 109.5 . . ?
C35 C36 H36B 109.5 . . ?
H36A C36 H36B 109.5 . . ?
C35 C36 H36C 109.5 . . ?
H36A C36 H36C 109.5 . . ?
H36B C36 H36C 109.5 . . ?
C35 C37 H37A 109.5 . . ?
C35 C37 H37B 109.5 . . ?
H37A C37 H37B 109.5 . . ?
C35 C37 H37C 109.5 . . ?
H37A C37 H37C 109.5 . . ?
H37B C37 H37C 109.5 . . ?
Si3 C38 H38A 109.5 . . ?
Si3 C38 H38B 109.5 . . ?
H38A C38 H38B 109.5 . . ?
Si3 C38 H38C 109.5 . . ?
H38A C38 H38C 109.5 . . ?
H38B C38 H38C 109.5 . . ?
C50 C39 C40 109.4(6) . . ?
C50 C39 C49 107.7(6) . . ?
C40 C39 C49 109.3(6) . . ?
C50 C39 Si3 109.4(5) . . ?
C40 C39 Si3 110.6(5) . . ?
C49 C39 Si3 110.4(5) . . ?
C39 C40 H40A 109.5 . . ?
C39 C40 H40B 109.5 . . ?
H40A C40 H40B 109.5 . . ?
C39 C40 H40C 109.5 . . ?
H40A C40 H40C 109.5 . . ?
H40B C40 H40C 109.5 . . ?
Si2 C41 H41A 109.5 . . ?
Si2 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
Si2 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
Si2 C42 H42A 109.5 . . ?
Si2 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
Si2 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C46 108.8(8) . . ?
C44 C43 C45 107.4(7) . . ?
C46 C43 C45 108.6(7) . . ?
C44 C43 Si2 110.4(5) . . ?
C46 C43 Si2 110.5(6) . . ?
C45 C43 Si2 111.0(6) . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C43 C46 H46A 109.5 . . ?
C43 C46 H46B 109.5 . . ?
H46A C46 H46B 109.5 . . ?
C43 C46 H46C 109.5 . . ?
H46A C46 H46C 109.5 . . ?
H46B C46 H46C 109.5 . . ?
C35 C47 H47A 109.5 . . ?
C35 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C35 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
Si3 C48 H48A 109.5 . . ?
Si3 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
Si3 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
C39 C49 H49A 109.5 . . ?
C39 C49 H49B 109.5 . . ?
H49A C49 H49B 109.5 . . ?
C39 C49 H49C 109.5 . . ?
H49A C49 H49C 109.5 . . ?
H49B C49 H49C 109.5 . . ?
C39 C50 H50A 109.5 . . ?
C39 C50 H50B 109.5 . . ?
H50A C50 H50B 109.5 . . ?
C39 C50 H50C 109.5 . . ?
H50A C50 H50C 109.5 . . ?
H50B C50 H50C 109.5 . . ?
C4 C51 H51A 109.5 . . ?
C4 C51 H51B 109.5 . . ?
H51A C51 H51B 109.5 . . ?
C4 C51 H51C 109.5 . . ?
H51A C51 H51C 109.5 . . ?
H51B C51 H51C 109.5 . . ?
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
U1 N3 2.290(5) . ?
U1 N4 2.342(5) . ?
U1 C3 2.544(6) . ?
U1 C6 2.549(6) . ?
U1 C2 2.560(6) . ?
U1 C5 2.576(6) . ?
U1 C1 2.613(6) . ?
U1 C4 2.662(6) . ?
U1 Fe2 3.0970(10) . ?
U2 N1 2.295(5) . ?
U2 N2 2.322(5) . ?
U2 C1 2.515(6) . ?
U2 C4 2.550(7) . ?
U2 C2 2.560(6) . ?
U2 C5 2.585(6) . ?
U2 C6 2.604(7) . ?
U2 C3 2.615(7) . ?
U2 Fe1 3.1283(10) . ?
Fe1 C14 2.027(7) . ?
Fe1 C10 2.031(6) . ?
Fe1 C11 2.033(7) . ?
Fe1 C13 2.042(7) . ?
Fe1 C15 2.043(7) . ?
Fe1 C9 2.058(7) . ?
Fe1 C16 2.082(7) . ?
Fe1 C7 2.088(6) . ?
Fe1 C12 2.125(6) . ?
Fe1 C8 2.137(7) . ?
Fe2 C20 2.021(7) . ?
Fe2 C24 2.026(7) . ?
Fe2 C19 2.043(7) . ?
Fe2 C23 2.043(7) . ?
Fe2 C25 2.058(6) . ?
Fe2 C21 2.061(7) . ?
Fe2 C18 2.087(7) . ?
Fe2 C22 2.090(7) . ?
Fe2 C17 2.134(6) . ?
Fe2 C26 2.154(6) . ?
Si1 N1 1.721(5) . ?
Si1 C27 1.867(7) . ?
Si1 C28 1.875(7) . ?
Si1 C29 1.909(7) . ?
Si2 N2 1.717(6) . ?
Si2 C41 1.868(7) . ?
Si2 C43 1.886(8) . ?
Si2 C42 1.886(8) . ?
Si3 N4 1.715(6) . ?
Si3 C48 1.866(7) . ?
Si3 C38 1.879(7) . ?
Si3 C39 1.904(7) . ?
Si4 N3 1.726(5) . ?
Si4 C34 1.861(8) . ?
Si4 C33 1.866(7) . ?
Si4 C35 1.902(7) . ?
N1 C12 1.401(8) . ?
N2 C8 1.401(8) . ?
N3 C26 1.398(8) . ?
N4 C17 1.400(8) . ?
C1 C2 1.440(9) . ?
C1 C6 1.470(9) . ?
C1 H1 0.9300 . ?
C2 C3 1.439(9) . ?
C2 H2 0.9300 . ?
C3 C4 1.466(9) . ?
C3 H3 0.9300 . ?
C4 C5 1.443(10) . ?
C4 C51 1.522(9) . ?
C5 C6 1.438(9) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C11 1.421(9) . ?
C7 C8 1.430(9) . ?
C7 H7 0.9300 . ?
C8 C9 1.430(9) . ?
C9 C10 1.417(9) . ?
C9 H9 0.9300 . ?
C10 C11 1.410(9) . ?
C10 H10 0.9300 . ?
C11 H11 0.9300 . ?
C12 C13 1.444(8) . ?
C12 C16 1.462(9) . ?
C13 C14 1.421(9) . ?
C13 H13 0.9300 . ?
C14 C15 1.413(9) . ?
C14 H14 0.9300 . ?
C15 C16 1.413(9) . ?
C15 H15 0.9300 . ?
C16 H16 0.9300 . ?
C17 C18 1.428(9) . ?
C17 C21 1.445(9) . ?
C18 C19 1.431(9) . ?
C18 H18 0.9300 . ?
C19 C20 1.400(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.422(9) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C23 1.431(9) . ?
C22 C26 1.449(9) . ?
C22 H22 0.9300 . ?
C23 C24 1.402(9) . ?
C23 H23 0.9300 . ?
C24 C25 1.418(9) . ?
C24 H24 0.9300 . ?
C25 C26 1.445(8) . ?
C25 H25 0.9300 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 C30 1.517(9) . ?
C29 C32 1.544(10) . ?
C29 C31 1.552(10) . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 C47 1.523(10) . ?
C35 C37 1.538(9) . ?
C35 C36 1.541(9) . ?
C36 H36A 0.9600 . ?
C36 H36B 0.9600 . ?
C36 H36C 0.9600 . ?
C37 H37A 0.9600 . ?
C37 H37B 0.9600 . ?
C37 H37C 0.9600 . ?
C38 H38A 0.9600 . ?
C38 H38B 0.9600 . ?
C38 H38C 0.9600 . ?
C39 C50 1.535(9) . ?
C39 C40 1.537(9) . ?
C39 C49 1.539(10) . ?
C40 H40A 0.9600 . ?
C40 H40B 0.9600 . ?
C40 H40C 0.9600 . ?
C41 H41A 0.9600 . ?
C41 H41B 0.9600 . ?
C41 H41C 0.9600 . ?
C42 H42A 0.9600 . ?
C42 H42B 0.9600 . ?
C42 H42C 0.9600 . ?
C43 C44 1.508(11) . ?
C43 C46 1.526(11) . ?
C43 C45 1.549(11) . ?
C44 H44A 0.9600 . ?
C44 H44B 0.9600 . ?
C44 H44C 0.9600 . ?
C45 H45A 0.9600 . ?
C45 H45B 0.9600 . ?
C45 H45C 0.9600 . ?
C46 H46A 0.9600 . ?
C46 H46B 0.9600 . ?
C46 H46C 0.9600 . ?
C47 H47A 0.9600 . ?
C47 H47B 0.9600 . ?
C47 H47C 0.9600 . ?
C48 H48A 0.9600 . ?
C48 H48B 0.9600 . ?
C48 H48C 0.9600 . ?
C49 H49A 0.9600 . ?
C49 H49B 0.9600 . ?
C49 H49C 0.9600 . ?
C50 H50A 0.9600 . ?
C50 H50B 0.9600 . ?
C50 H50C 0.9600 . ?
C51 H51A 0.9600 . ?
C51 H51B 0.9600 . ?
C51 H51C 0.9600 . ?
