#------------------------------------------------------------------------------
#$Date: 2016-03-23 16:11:56 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179366 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/63/4326396.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_4326396
loop_
_publ_author_name
'Benedict M. Gardner'
'William Lewis'
'Alexander J. Blake'
'Stephen T. Liddle'
_publ_section_title
;
 Halide, Amide, Cationic, Manganese Carbonylate, and Oxide Derivatives of
 Triamidosilylamine Uranium Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9631
_journal_page_last               9641
_journal_paper_doi               10.1021/ic201372a
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C29 H57 Mn N4 O5 Si3 U'
_chemical_formula_sum            'C29 H57 Mn N4 O5 Si3 U'
_chemical_formula_weight         919.03
_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, Me from difmap'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'enCIFer editing of SHELXL97 CIF output'
_cell_angle_alpha                93.776(3)
_cell_angle_beta                 104.620(3)
_cell_angle_gamma                101.686(3)
_cell_formula_units_Z            2
_cell_length_a                   12.508(2)
_cell_length_b                   12.523(2)
_cell_length_c                   13.281(2)
_cell_measurement_reflns_used    4039
_cell_measurement_temperature    90(2)
_cell_measurement_theta_max      27.3
_cell_measurement_theta_min      2.17
_cell_volume                     1956.1(5)
_computing_cell_refinement       'Bruker SAINT version 6.36A (Bruker, 2002)'
_computing_data_collection       'Bruker SMART version 5.625 (Bruker, 2001)'
_computing_data_reduction        'Bruker SAINT; SHELXTL (Sheldrick, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'enCIFer(Allen et al.,2004);PLATON(Spek,2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      90(2)
_diffrn_detector_area_resol_mean 8.366
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX CCD area detector'
_diffrn_measurement_method       ω
_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  0.0509
_diffrn_reflns_av_sigmaI/netI    0.0777
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14023
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.01
_diffrn_standards_decay_%        0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.586
_exptl_absorpt_correction_T_max  0.642
_exptl_absorpt_correction_T_min  0.452
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2007/2'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.560
_exptl_crystal_description       plate
_exptl_crystal_F_000             916
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.01
_refine_diff_density_max         8.316
_refine_diff_density_min         -3.708
_refine_diff_density_rms         0.317
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.037
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         6840
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.037
_refine_ls_R_factor_all          0.0786
_refine_ls_R_factor_gt           0.0668
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1331P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1752
_refine_ls_wR_factor_ref         0.1836
_reflns_number_gt                5792
_reflns_number_total             6840
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic201372a_si_001_12.cif
_cod_data_source_block           12
_cod_original_cell_volume        1956.2(6)
_cod_database_code               4326396
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
U1 U 0.90960(3) 0.70630(3) 0.28348(3) 0.01573(16) Uani 1 1 d .
N1 N 0.7844(7) 0.6563(7) 0.1283(7) 0.0198(19) Uani 1 1 d .
Si1 Si 0.7860(3) 0.7353(2) 0.0253(2) 0.0193(6) Uani 1 1 d .
C1 C 0.8978(10) 0.8637(9) 0.0814(9) 0.026(3) Uani 1 1 d .
H1A H 0.8787 0.9015 0.1391 0.039 Uiso 1 1 calc R
H1C H 0.9020 0.9120 0.0267 0.039 Uiso 1 1 calc R
H1B H 0.9713 0.8447 0.1076 0.039 Uiso 1 1 calc R
C2 C 0.8303(10) 0.6618(9) -0.0789(8) 0.024(2) Uani 1 1 d .
H2B H 0.8976 0.6346 -0.0467 0.035 Uiso 1 1 calc R
H2C H 0.8482 0.7126 -0.1286 0.035 Uiso 1 1 calc R
H2A H 0.7684 0.5998 -0.1162 0.035 Uiso 1 1 calc R
C3 C 0.6458(10) 0.7735(9) -0.0353(8) 0.023(2) Uani 1 1 d .
C4 C 0.6289(11) 0.8676(9) 0.0341(9) 0.032(3) Uani 1 1 d .
H4B H 0.5549 0.8837 0.0034 0.047 Uiso 1 1 calc R
H4C H 0.6890 0.9331 0.0393 0.047 Uiso 1 1 calc R
H4A H 0.6319 0.8462 0.1043 0.047 Uiso 1 1 calc R
C5 C 0.5450(10) 0.6752(10) -0.0509(10) 0.035(3) Uani 1 1 d .
H5B H 0.5564 0.6134 -0.0931 0.053 Uiso 1 1 calc R
H5C H 0.4750 0.6958 -0.0872 0.053 Uiso 1 1 calc R
H5A H 0.5393 0.6537 0.0175 0.053 Uiso 1 1 calc R
C6 C 0.6468(12) 0.8128(11) -0.1421(10) 0.037(3) Uani 1 1 d .
H6A H 0.6427 0.7503 -0.1924 0.055 Uiso 1 1 calc R
H6C H 0.7169 0.8681 -0.1349 0.055 Uiso 1 1 calc R
H6B H 0.5813 0.8452 -0.1673 0.055 Uiso 1 1 calc R
C7 C 0.7247(10) 0.5401(8) 0.1011(8) 0.024(2) Uani 1 1 d .
H7B H 0.6843 0.5260 0.0255 0.028 Uiso 1 1 calc R
H7A H 0.6679 0.5231 0.1412 0.028 Uiso 1 1 calc R
C8 C 0.8074(9) 0.4672(9) 0.1256(9) 0.026(3) Uani 1 1 d .
H8A H 0.8583 0.4774 0.0791 0.031 Uiso 1 1 calc R
H8B H 0.7656 0.3893 0.1129 0.031 Uiso 1 1 calc R
N2 N 0.8031(8) 0.6189(7) 0.3752(7) 0.022(2) Uani 1 1 d .
Si2 Si 0.6806(3) 0.6510(2) 0.3955(2) 0.0210(6) Uani 1 1 d .
C9 C 0.6319(9) 0.7447(9) 0.3000(9) 0.024(2) Uani 1 1 d .
H9A H 0.6226 0.7110 0.2287 0.037 Uiso 1 1 calc R
H9C H 0.6883 0.8146 0.3145 0.037 Uiso 1 1 calc R
H9B H 0.5592 0.7579 0.3063 0.037 Uiso 1 1 calc R
C10 C 0.5645(11) 0.5252(9) 0.3718(10) 0.034(3) Uani 1 1 d .
H10B H 0.4994 0.5436 0.3914 0.051 Uiso 1 1 calc R
H10C H 0.5913 0.4698 0.4141 0.051 Uiso 1 1 calc R
H10A H 0.5418 0.4960 0.2973 0.051 Uiso 1 1 calc R
C11 C 0.7070(10) 0.7203(10) 0.5340(8) 0.025(2) Uani 1 1 d .
C12 C 0.7466(10) 0.6424(9) 0.6126(9) 0.027(3) Uani 1 1 d .
H12A H 0.6881 0.5741 0.6000 0.041 Uiso 1 1 calc R
H12C H 0.7597 0.6775 0.6841 0.041 Uiso 1 1 calc R
H12B H 0.8172 0.6258 0.6037 0.041 Uiso 1 1 calc R
C13 C 0.5988(11) 0.7508(10) 0.5494(9) 0.031(3) Uani 1 1 d .
H13B H 0.5860 0.8147 0.5131 0.047 Uiso 1 1 calc R
H13C H 0.6076 0.7687 0.6244 0.047 Uiso 1 1 calc R
H13A H 0.5340 0.6886 0.5205 0.047 Uiso 1 1 calc R
C14 C 0.8021(10) 0.8248(9) 0.5537(9) 0.024(2) Uani 1 1 d .
H14B H 0.8680 0.8069 0.5352 0.036 Uiso 1 1 calc R
H14C H 0.8239 0.8547 0.6279 0.036 Uiso 1 1 calc R
H14A H 0.7752 0.8796 0.5105 0.036 Uiso 1 1 calc R
C15 C 0.8335(11) 0.5161(9) 0.4066(8) 0.024(2) Uani 1 1 d .
H15A H 0.7871 0.4836 0.4520 0.029 Uiso 1 1 calc R
H15B H 0.9145 0.5307 0.4462 0.029 Uiso 1 1 calc R
C16 C 0.8114(10) 0.4381(9) 0.3081(9) 0.024(2) Uani 1 1 d .
H16B H 0.8367 0.3701 0.3259 0.028 Uiso 1 1 calc R
H16A H 0.7293 0.4181 0.2720 0.028 Uiso 1 1 calc R
N3 N 1.0629(7) 0.6645(7) 0.2498(7) 0.0210(19) Uani 1 1 d .
Si3 Si 1.1931(3) 0.7592(2) 0.2805(2) 0.0214(6) Uani 1 1 d .
C17 C 1.2940(10) 0.7196(9) 0.3958(9) 0.027(3) Uani 1 1 d .
H17A H 1.2631 0.7208 0.4566 0.040 Uiso 1 1 calc R
H17C H 1.3676 0.7719 0.4125 0.040 Uiso 1 1 calc R
H17B H 1.3035 0.6455 0.3781 0.040 Uiso 1 1 calc R
C18 C 1.1658(9) 0.8952(8) 0.3204(9) 0.022(2) Uani 1 1 d .
H18B H 1.1215 0.9214 0.2590 0.033 Uiso 1 1 calc R
H18C H 1.2383 0.9484 0.3499 0.033 Uiso 1 1 calc R
H18A H 1.1234 0.8871 0.3733 0.033 Uiso 1 1 calc R
C19 C 1.2632(10) 0.7770(10) 0.1679(9) 0.028(3) Uani 1 1 d .
C20 C 1.1805(11) 0.7961(11) 0.0689(9) 0.036(3) Uani 1 1 d .
H20A H 1.1066 0.7458 0.0591 0.054 Uiso 1 1 calc R
H20C H 1.2096 0.7827 0.0084 0.054 Uiso 1 1 calc R
H20B H 1.1721 0.8722 0.0754 0.054 Uiso 1 1 calc R
C21 C 1.3641(12) 0.8761(10) 0.2033(11) 0.041(3) Uani 1 1 d .
H21A H 1.3369 0.9424 0.2163 0.061 Uiso 1 1 calc R
H21C H 1.4037 0.8853 0.1484 0.061 Uiso 1 1 calc R
H21B H 1.4164 0.8641 0.2679 0.061 Uiso 1 1 calc R
C22 C 1.3098(10) 0.6749(10) 0.1456(10) 0.032(3) Uani 1 1 d .
H22B H 1.3659 0.6654 0.2089 0.048 Uiso 1 1 calc R
H22C H 1.3459 0.6853 0.0884 0.048 Uiso 1 1 calc R
H22A H 1.2473 0.6095 0.1256 0.048 Uiso 1 1 calc R
C23 C 1.0659(10) 0.5518(9) 0.2118(9) 0.025(2) Uani 1 1 d .
H23B H 1.1443 0.5413 0.2352 0.030 Uiso 1 1 calc R
H23A H 1.0415 0.5404 0.1342 0.030 Uiso 1 1 calc R
C24 C 0.9881(10) 0.4698(9) 0.2543(9) 0.024(2) Uani 1 1 d .
H24A H 0.9797 0.3953 0.2190 0.029 Uiso 1 1 calc R
H24B H 1.0222 0.4702 0.3302 0.029 Uiso 1 1 calc R
N4 N 0.8763(8) 0.4950(7) 0.2382(7) 0.0209(19) Uani 1 1 d .
Mn1 Mn 0.83017(14) 1.10488(12) 0.33285(12) 0.0190(4) Uani 1 1 d .
C25 C 0.8734(10) 0.9802(9) 0.3379(9) 0.022(2) Uani 1 1 d .
O1 O 0.9071(7) 0.8976(6) 0.3422(6) 0.0263(18) Uani 1 1 d .
C26 C 0.7236(10) 1.1352(9) 0.2225(8) 0.025(2) Uani 1 1 d .
O2 O 0.6589(8) 1.1537(8) 0.1502(7) 0.042(2) Uani 1 1 d .
C27 C 0.9351(10) 1.1494(8) 0.2594(8) 0.023(2) Uani 1 1 d .
O3 O 0.9970(7) 1.1731(7) 0.2119(7) 0.034(2) Uani 1 1 d .
C28 C 0.9021(9) 1.2035(9) 0.4445(9) 0.022(2) Uani 1 1 d .
O4 O 0.9528(7) 1.2649(6) 0.5191(6) 0.0248(17) Uani 1 1 d .
C29 C 0.7117(11) 1.0558(9) 0.3908(9) 0.028(3) Uani 1 1 d .
O5 O 0.6369(7) 1.0254(7) 0.4242(7) 0.035(2) Uani 1 1 d .
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'
Mn Mn 0.3368 0.7283 '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 0.0060 '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'
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_3
N2 U1 N1 96.6(3) .
N2 U1 N3 127.3(3) .
N1 U1 N3 101.1(3) .
N2 U1 O1 99.0(3) .
N1 U1 O1 107.5(3) .
N3 U1 O1 121.4(3) .
N2 U1 N4 69.5(3) .
N1 U1 N4 71.6(3) .
N3 U1 N4 69.9(3) .
O1 U1 N4 168.0(3) .
N2 U1 O4 75.5(3) 2_776
N1 U1 O4 170.6(3) 2_776
N3 U1 O4 80.4(3) 2_776
O1 U1 O4 79.1(2) 2_776
N4 U1 O4 100.6(2) 2_776
C7 N1 Si1 117.1(7) .
C7 N1 U1 118.0(6) .
Si1 N1 U1 121.8(5) .
N1 Si1 C1 105.8(5) .
N1 Si1 C2 109.6(5) .
C1 Si1 C2 107.9(5) .
N1 Si1 C3 114.6(5) .
C1 Si1 C3 109.2(5) .
C2 Si1 C3 109.4(5) .
Si1 C1 H1A 109.5 .
Si1 C1 H1C 109.5 .
H1A C1 H1C 109.5 .
Si1 C1 H1B 109.5 .
H1A C1 H1B 109.5 .
H1C C1 H1B 109.5 .
Si1 C2 H2B 109.5 .
Si1 C2 H2C 109.5 .
H2B C2 H2C 109.5 .
Si1 C2 H2A 109.5 .
H2B C2 H2A 109.5 .
H2C C2 H2A 109.5 .
C4 C3 C5 108.7(10) .
C4 C3 C6 107.6(10) .
C5 C3 C6 108.7(10) .
C4 C3 Si1 110.7(8) .
C5 C3 Si1 111.4(8) .
C6 C3 Si1 109.5(8) .
C3 C4 H4B 109.5 .
C3 C4 H4C 109.5 .
H4B C4 H4C 109.5 .
C3 C4 H4A 109.5 .
H4B C4 H4A 109.5 .
H4C C4 H4A 109.5 .
C3 C5 H5B 109.5 .
C3 C5 H5C 109.5 .
H5B C5 H5C 109.5 .
C3 C5 H5A 109.5 .
H5B C5 H5A 109.5 .
H5C C5 H5A 109.5 .
C3 C6 H6A 109.5 .
C3 C6 H6C 109.5 .
H6A C6 H6C 109.5 .
C3 C6 H6B 109.5 .
H6A C6 H6B 109.5 .
H6C C6 H6B 109.5 .
N1 C7 C8 110.5(9) .
N1 C7 H7B 109.6 .
C8 C7 H7B 109.6 .
N1 C7 H7A 109.6 .
C8 C7 H7A 109.6 .
H7B C7 H7A 108.1 .
C7 C8 N4 109.9(9) .
C7 C8 H8A 109.7 .
N4 C8 H8A 109.7 .
C7 C8 H8B 109.7 .
N4 C8 H8B 109.7 .
H8A C8 H8B 108.2 .
C15 N2 Si2 119.7(8) .
C15 N2 U1 113.7(7) .
Si2 N2 U1 125.9(5) .
N2 Si2 C9 108.7(5) .
N2 Si2 C10 110.8(5) .
C9 Si2 C10 107.4(6) .
N2 Si2 C11 111.4(5) .
C9 Si2 C11 109.4(5) .
C10 Si2 C11 109.1(6) .
Si2 C9 H9A 109.5 .
Si2 C9 H9C 109.5 .
H9A C9 H9C 109.5 .
Si2 C9 H9B 109.5 .
H9A C9 H9B 109.5 .
H9C C9 H9B 109.5 .
Si2 C10 H10B 109.5 .
Si2 C10 H10C 109.5 .
H10B C10 H10C 109.5 .
Si2 C10 H10A 109.5 .
H10B C10 H10A 109.5 .
H10C C10 H10A 109.5 .
C12 C11 C13 110.3(9) .
C12 C11 C14 108.0(9) .
C13 C11 C14 109.4(10) .
C12 C11 Si2 109.1(8) .
C13 C11 Si2 110.6(8) .
C14 C11 Si2 109.3(7) .
C11 C12 H12A 109.5 .
C11 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
C11 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
H12C C12 H12B 109.5 .
C11 C13 H13B 109.5 .
C11 C13 H13C 109.5 .
H13B C13 H13C 109.5 .
C11 C13 H13A 109.5 .
H13B C13 H13A 109.5 .
H13C C13 H13A 109.5 .
C11 C14 H14B 109.5 .
C11 C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C11 C14 H14A 109.5 .
H14B C14 H14A 109.5 .
H14C C14 H14A 109.5 .
N2 C15 C16 107.8(8) .
N2 C15 H15A 110.1 .
C16 C15 H15A 110.1 .
N2 C15 H15B 110.1 .
C16 C15 H15B 110.1 .
H15A C15 H15B 108.5 .
N4 C16 C15 108.0(9) .
N4 C16 H16B 110.1 .
C15 C16 H16B 110.1 .
N4 C16 H16A 110.1 .
C15 C16 H16A 110.1 .
H16B C16 H16A 108.4 .
C23 N3 Si3 114.8(7) .
C23 N3 U1 122.7(7) .
Si3 N3 U1 122.1(5) .
N3 Si3 C18 106.6(5) .
N3 Si3 C17 109.2(5) .
C18 Si3 C17 108.6(5) .
N3 Si3 C19 115.4(5) .
C18 Si3 C19 107.6(5) .
C17 Si3 C19 109.3(5) .
Si3 C17 H17A 109.5 .
Si3 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
Si3 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
H17C C17 H17B 109.5 .
Si3 C18 H18B 109.5 .
Si3 C18 H18C 109.5 .
H18B C18 H18C 109.5 .
Si3 C18 H18A 109.5 .
H18B C18 H18A 109.5 .
H18C C18 H18A 109.5 .
C20 C19 C21 109.8(10) .
C20 C19 C22 110.0(10) .
C21 C19 C22 107.7(10) .
C20 C19 Si3 111.3(8) .
C21 C19 Si3 107.7(8) .
C22 C19 Si3 110.3(8) .
C19 C20 H20A 109.5 .
C19 C20 H20C 109.5 .
H20A C20 H20C 109.5 .
C19 C20 H20B 109.5 .
H20A C20 H20B 109.5 .
H20C C20 H20B 109.5 .
C19 C21 H21A 109.5 .
C19 C21 H21C 109.5 .
H21A C21 H21C 109.5 .
C19 C21 H21B 109.5 .
H21A C21 H21B 109.5 .
H21C C21 H21B 109.5 .
C19 C22 H22B 109.5 .
C19 C22 H22C 109.5 .
H22B C22 H22C 109.5 .
C19 C22 H22A 109.5 .
H22B C22 H22A 109.5 .
H22C C22 H22A 109.5 .
N3 C23 C24 109.6(9) .
N3 C23 H23B 109.7 .
C24 C23 H23B 109.7 .
N3 C23 H23A 109.7 .
C24 C23 H23A 109.7 .
H23B C23 H23A 108.2 .
N4 C24 C23 111.5(9) .
N4 C24 H24A 109.3 .
C23 C24 H24A 109.3 .
N4 C24 H24B 109.3 .
C23 C24 H24B 109.3 .
H24A C24 H24B 108.0 .
C24 N4 C8 112.0(8) .
C24 N4 C16 111.8(8) .
C8 N4 C16 110.1(8) .
C24 N4 U1 106.9(6) .
C8 N4 U1 106.7(6) .
C16 N4 U1 109.1(6) .
C25 Mn1 C28 113.9(5) .
C25 Mn1 C26 124.2(5) .
C28 Mn1 C26 121.9(5) .
C25 Mn1 C27 87.6(5) .
C28 Mn1 C27 94.4(5) .
C26 Mn1 C27 87.0(5) .
C25 Mn1 C29 93.4(5) .
C28 Mn1 C29 91.6(5) .
C26 Mn1 C29 86.7(5) .
C27 Mn1 C29 172.9(5) .
O1 C25 Mn1 177.5(10) .
C25 O1 U1 155.7(8) .
O2 C26 Mn1 177.3(11) .
O3 C27 Mn1 177.4(10) .
O4 C28 Mn1 176.7(10) .
C28 O4 U1 147.1(7) 2_776
O5 C29 Mn1 178.4(11) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 N2 2.204(9) .
U1 N1 2.212(9) .
U1 N3 2.227(9) .
U1 O1 2.479(8) .
U1 N4 2.599(9) .
U1 O4 2.705(8) 2_776
N1 C7 1.469(13) .
N1 Si1 1.742(9) .
Si1 C1 1.871(11) .
Si1 C2 1.871(11) .
Si1 C3 1.905(12) .
C1 H1A 0.9800 .
C1 H1C 0.9800 .
C1 H1B 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C2 H2A 0.9800 .
C3 C4 1.530(15) .
C3 C5 1.534(16) .
C3 C6 1.534(15) .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C4 H4A 0.9800 .
C5 H5B 0.9800 .
C5 H5C 0.9800 .
C5 H5A 0.9800 .
C6 H6A 0.9800 .
C6 H6C 0.9800 .
C6 H6B 0.9800 .
C7 C8 1.503(16) .
C7 H7B 0.9900 .
C7 H7A 0.9900 .
C8 N4 1.503(14) .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
N2 C15 1.472(13) .
N2 Si2 1.739(10) .
Si2 C9 1.858(12) .
Si2 C10 1.862(12) .
Si2 C11 1.900(11) .
C9 H9A 0.9800 .
C9 H9C 0.9800 .
C9 H9B 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C10 H10A 0.9800 .
C11 C12 1.534(15) .
C11 C13 1.536(16) .
C11 C14 1.538(15) .
C12 H12A 0.9800 .
C12 H12C 0.9800 .
C12 H12B 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C13 H13A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C14 H14A 0.9800 .
C15 C16 1.510(15) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 N4 1.504(14) .
C16 H16B 0.9900 .
C16 H16A 0.9900 .
N3 C23 1.478(13) .
N3 Si3 1.745(9) .
Si3 C18 1.872(11) .
Si3 C17 1.888(12) .
Si3 C19 1.918(12) .
C17 H17A 0.9800 .
C17 H17C 0.9800 .
C17 H17B 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C18 H18A 0.9800 .
C19 C20 1.520(16) .
C19 C21 1.531(18) .
C19 C22 1.550(17) .
C20 H20A 0.9800 .
C20 H20C 0.9800 .
C20 H20B 0.9800 .
C21 H21A 0.9800 .
C21 H21C 0.9800 .
C21 H21B 0.9800 .
C22 H22B 0.9800 .
C22 H22C 0.9800 .
C22 H22A 0.9800 .
C23 C24 1.506(15) .
C23 H23B 0.9900 .
C23 H23A 0.9900 .
C24 N4 1.462(15) .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
Mn1 C25 1.752(11) .
Mn1 C28 1.781(11) .
Mn1 C26 1.833(11) .
Mn1 C27 1.846(12) .
Mn1 C29 1.853(13) .
C25 O1 1.193(13) .
C26 O2 1.159(14) .
C27 O3 1.124(14) .
C28 O4 1.165(13) .
O4 U1 2.705(8) 2_776
C29 O5 1.143(15) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
N2 U1 N1 C7 -46.4(8) .
N3 U1 N1 C7 83.7(8) .
O1 U1 N1 C7 -148.0(7) .
N4 U1 N1 C7 19.4(7) .
N2 U1 N1 Si1 154.0(5) .
N3 U1 N1 Si1 -75.9(6) .
O1 U1 N1 Si1 52.4(6) .
N4 U1 N1 Si1 -140.2(6) .
C7 N1 Si1 C1 -165.3(8) .
U1 N1 Si1 C1 -5.6(7) .
C7 N1 Si1 C2 -49.1(9) .
U1 N1 Si1 C2 110.6(6) .
C7 N1 Si1 C3 74.3(9) .
U1 N1 Si1 C3 -126.0(5) .
N1 Si1 C3 C4 77.6(9) .
C1 Si1 C3 C4 -40.9(9) .
C2 Si1 C3 C4 -158.8(8) .
N1 Si1 C3 C5 -43.5(9) .
C1 Si1 C3 C5 -162.0(8) .
C2 Si1 C3 C5 80.0(9) .
N1 Si1 C3 C6 -163.9(8) .
C1 Si1 C3 C6 77.6(9) .
C2 Si1 C3 C6 -40.3(10) .
Si1 N1 C7 C8 113.3(8) .
U1 N1 C7 C8 -47.3(11) .
N1 C7 C8 N4 54.3(12) .
N1 U1 N2 C15 102.8(7) .
N3 U1 N2 C15 -6.6(9) .
O1 U1 N2 C15 -148.2(7) .
N4 U1 N2 C15 35.3(7) .
O4 U1 N2 C15 -72.1(7) 2_776
N1 U1 N2 Si2 -68.0(6) .
N3 U1 N2 Si2 -177.3(4) .
O1 U1 N2 Si2 41.0(6) .
N4 U1 N2 Si2 -135.5(6) .
O4 U1 N2 Si2 117.1(6) 2_776
C15 N2 Si2 C9 -155.1(8) .
U1 N2 Si2 C9 15.2(7) .
C15 N2 Si2 C10 -37.3(9) .
U1 N2 Si2 C10 132.9(6) .
C15 N2 Si2 C11 84.3(9) .
U1 N2 Si2 C11 -105.4(6) .
N2 Si2 C11 C12 -60.1(9) .
C9 Si2 C11 C12 179.7(8) .
C10 Si2 C11 C12 62.5(9) .
N2 Si2 C11 C13 178.4(7) .
C9 Si2 C11 C13 58.2(9) .
C10 Si2 C11 C13 -59.0(9) .
N2 Si2 C11 C14 57.9(9) .
C9 Si2 C11 C14 -62.3(9) .
C10 Si2 C11 C14 -179.5(8) .
Si2 N2 C15 C16 107.2(9) .
U1 N2 C15 C16 -64.2(10) .
N2 C15 C16 N4 55.2(12) .
N2 U1 N3 C23 47.7(9) .
N1 U1 N3 C23 -59.6(9) .
O1 U1 N3 C23 -178.2(7) .
N4 U1 N3 C23 5.9(8) .
O4 U1 N3 C23 111.0(8) 2_776
N2 U1 N3 Si3 -124.8(5) .
N1 U1 N3 Si3 127.9(5) .
O1 U1 N3 Si3 9.2(7) .
N4 U1 N3 Si3 -166.6(6) .
O4 U1 N3 Si3 -61.5(5) 2_776
C23 N3 Si3 C18 177.6(8) .
U1 N3 Si3 C18 -9.4(7) .
C23 N3 Si3 C17 -65.3(9) .
U1 N3 Si3 C17 107.7(6) .
C23 N3 Si3 C19 58.2(9) .
U1 N3 Si3 C19 -128.7(6) .
N3 Si3 C19 C20 49.9(10) .
C18 Si3 C19 C20 -68.8(10) .
C17 Si3 C19 C20 173.5(9) .
N3 Si3 C19 C21 170.3(8) .
C18 Si3 C19 C21 51.5(9) .
C17 Si3 C19 C21 -66.2(9) .
N3 Si3 C19 C22 -72.5(9) .
C18 Si3 C19 C22 168.7(8) .
C17 Si3 C19 C22 51.0(9) .
Si3 N3 C23 C24 142.3(8) .
U1 N3 C23 C24 -30.7(12) .
N3 C23 C24 N4 49.0(12) .
C23 C24 N4 C8 74.0(11) .
C23 C24 N4 C16 -161.9(9) .
C23 C24 N4 U1 -42.6(9) .
C7 C8 N4 C24 -152.3(9) .
C7 C8 N4 C16 82.7(10) .
C7 C8 N4 U1 -35.6(10) .
C15 C16 N4 C24 93.3(10) .
C15 C16 N4 C8 -141.5(9) .
C15 C16 N4 U1 -24.7(10) .
N2 U1 N4 C24 -125.5(7) .
N1 U1 N4 C24 129.7(7) .
N3 U1 N4 C24 20.0(6) .
O1 U1 N4 C24 -142.5(11) .
O4 U1 N4 C24 -55.5(6) 2_776
N2 U1 N4 C8 114.4(7) .
N1 U1 N4 C8 9.7(6) .
N3 U1 N4 C8 -100.0(7) .
O1 U1 N4 C8 97.4(13) .
O4 U1 N4 C8 -175.6(6) 2_776
N2 U1 N4 C16 -4.5(6) .
N1 U1 N4 C16 -109.2(7) .
N3 U1 N4 C16 141.1(7) .
O1 U1 N4 C16 -21.5(16) .
O4 U1 N4 C16 65.5(7) 2_776
N2 U1 O1 C25 -93.1(18) .
N1 U1 O1 C25 6.9(19) .
N3 U1 O1 C25 122.3(18) .
N4 U1 O1 C25 -77(2) .
O4 U1 O1 C25 -166.2(18) 2_776
