#------------------------------------------------------------------------------
#$Date: 2016-03-24 00:16:32 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179529 $
#$URL: svn://www.crystallography.net/cod/cif/4/34/26/4342614.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_4342614
loop_
_publ_author_name
'Hervé, Alexandre'
'Bouzidi, Yamina'
'Berthet, Jean-Claude'
'Belkhiri, Lotfi'
'Thuéry, Pierre'
'Boucekkine, Abdou'
'Ephritikhine, Michel'
_publ_section_title
;
 U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.
;
_journal_issue                   5
_journal_name_full               'Inorganic chemistry'
_journal_page_first              2474
_journal_paper_doi               10.1021/acs.inorgchem.5b00034
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C32 H78 K N5 O6 Si6 U'
_chemical_formula_weight         1074.66
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 110.476(7)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   11.4734(9)
_cell_length_b                   18.469(2)
_cell_length_c                   13.0501(14)
_cell_measurement_reflns_used    109242
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.68
_cell_measurement_theta_min      2.32
_cell_volume                     2590.6(5)
_computing_cell_refinement       'HKL2000 (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 1998)'
_computing_data_reduction        'HKL2000 (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008); PLATON (Spek, 2003)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
'Nonius Kappa-CCD area-detector diffractometer'
_diffrn_measurement_method
'two φ and five ω scans with 2° steps (642 frames)'
_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  0.0567
_diffrn_reflns_av_unetI/netI     0.0430
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            109242
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         2.32
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    3.391
_exptl_absorpt_correction_T_max  0.789
_exptl_absorpt_correction_T_min  0.406
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour            'translucent light pink'
_exptl_crystal_density_diffrn    1.378
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1096
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.476
_refine_diff_density_min         -1.525
_refine_diff_density_rms         0.093
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.513(14)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     571
_refine_ls_number_reflns         9801
_refine_ls_number_restraints     219
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0736
_refine_ls_R_factor_gt           0.0575
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0721P)²+6.7684P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1339
_refine_ls_wR_factor_ref         0.1421
_reflns_number_gt                8022
_reflns_number_total             9801
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00034_si_001.cif
_cod_data_source_block           10
_cod_original_sg_symbol_H-M      'P 21'
_cod_database_code               4342614
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -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 0.19152(3) 0.37511(10) 0.19906(2) 0.05714(13) Uani 1 1 d . . .
K1 K 0.16764(17) 0.3755(4) -0.30788(16) 0.0662(5) Uani 1 1 d . . .
Si1A Si 0.2741(10) 0.2007(6) 0.3171(8) 0.068(3) Uani 0.50 1 d PD . .
Si2A Si 0.4373(11) 0.2586(5) 0.2155(8) 0.057(2) Uani 0.50 1 d PD . .
Si3A Si 0.4200(10) 0.4948(6) 0.3635(11) 0.063(3) Uani 0.50 1 d PD . .
Si4A Si 0.2609(12) 0.5502(7) 0.1512(10) 0.081(4) Uani 0.50 1 d PD A .
Si5A Si -0.1083(10) 0.4210(4) 0.1860(9) 0.057(3) Uani 0.50 1 d PD . .
Si6A Si -0.0877(8) 0.3101(7) 0.0296(9) 0.071(3) Uani 0.50 1 d PD A .
Si1B Si 0.3990(10) 0.2563(7) 0.3608(11) 0.063(3) Uani 0.50 1 d PD A .
Si2B Si 0.2414(11) 0.2013(5) 0.1357(9) 0.059(2) Uani 0.50 1 d PD A .
Si3B Si 0.2605(11) 0.5474(4) 0.3141(10) 0.068(3) Uani 0.50 1 d PD A .
Si4B Si 0.4353(9) 0.4875(5) 0.1950(7) 0.057(2) Uani 0.50 1 d PD A .
Si5B Si -0.1091(10) 0.3319(7) 0.1796(10) 0.083(4) Uani 0.50 1 d PD A .
Si6B Si -0.0941(10) 0.4440(5) 0.0179(9) 0.066(3) Uani 0.50 1 d PD A .
O1 O 0.3017(15) 0.5036(6) -0.2849(14) 0.079(5) Uani 1 1 d . A .
O2 O 0.0361(17) 0.5114(8) -0.3454(15) 0.084(5) Uani 1 1 d . A .
O3 O -0.0888(6) 0.3787(9) -0.4193(6) 0.090(3) Uani 1 1 d D A .
O4 O 0.0319(19) 0.2478(9) -0.3485(16) 0.088(5) Uani 1 1 d D A .
O5 O 0.2930(17) 0.2439(11) -0.2786(15) 0.114(7) Uani 1 1 d D A .
O6 O 0.4292(7) 0.3612(5) -0.2101(6) 0.066(3) Uani 1 1 d . A .
N1A N 0.1983(7) 0.3877(4) 0.0131(7) 0.054(2) Uani 0.42(3) 1 d PU A 1
N2A N 0.1779(8) 0.3848(9) 0.3834(7) 0.067(3) Uani 0.87(3) 1 d PU . 1
C1A C 0.1938(9) 0.3897(4) -0.0773(9) 0.053(2) Uani 0.42(3) 1 d PU A 1
C2A C 0.1740(9) 0.3858(9) 0.4721(8) 0.064(3) Uani 0.87(3) 1 d P . 1
C1B C 0.1983(7) 0.3877(4) 0.0131(7) 0.054(2) Uani 0.58(3) 1 d P A 2
C2B C 0.1779(8) 0.3848(9) 0.3834(7) 0.067(3) Uani 0.13(3) 1 d P . 2
N1B N 0.1938(9) 0.3897(4) -0.0773(9) 0.053(2) Uani 0.58(3) 1 d PU A 2
N2B N 0.1740(9) 0.3858(9) 0.4721(8) 0.064(3) Uani 0.13(3) 1 d PU . 2
N3 N 0.2940(17) 0.2649(7) 0.2359(13) 0.060(4) Uani 1 1 d . A .
N4 N 0.3033(14) 0.4746(7) 0.2450(14) 0.056(4) Uani 1 1 d . A .
N5 N -0.0173(6) 0.3758(12) 0.1293(6) 0.072(2) Uani 1 1 d . A .
C3A C 0.361(2) 0.1927(11) 0.4624(10) 0.114(6) Uani 1 1 d DU A 3
H3A H 0.3534 0.2402 0.4889 0.172 Uiso 0.50 1 d PR A 3
H3B H 0.3162 0.1588 0.4902 0.172 Uiso 0.50 1 d PR A 3
H3C H 0.4468 0.1792 0.4861 0.172 Uiso 0.50 1 d PR A 3
H3D H 0.4238 0.1594 0.5034 0.172 Uiso 0.50 1 d PR A 3
H3E H 0.3503 0.2295 0.5100 0.172 Uiso 0.50 1 d PR A 3
H3F H 0.2840 0.1673 0.4296 0.172 Uiso 0.50 1 d PR A 3
C4A C 0.248(2) 0.1143(6) 0.2259(11) 0.115(5) Uani 1 1 d DU A 3
H4A H 0.3332 0.1052 0.2339 0.173 Uiso 0.50 1 d PR A 3
H4B H 0.2211 0.0786 0.2659 0.173 Uiso 0.50 1 d PR A 3
H4C H 0.1975 0.1117 0.1503 0.173 Uiso 0.50 1 d PR A 3
H4D H 0.2669 0.0727 0.1904 0.173 Uiso 0.50 1 d PR A 3
H4E H 0.3086 0.1184 0.2980 0.173 Uiso 0.50 1 d PR A 3
H4F H 0.1671 0.1090 0.2303 0.173 Uiso 0.50 1 d PR A 3
C5A C 0.100(4) 0.210(3) 0.304(5) 0.115(6) Uani 0.50 1 d PU A 3
H5A H 0.0753 0.2551 0.3278 0.172 Uiso 0.50 1 d PR A 3
H5B H 0.0570 0.2041 0.2278 0.172 Uiso 0.50 1 d PR A 3
H5C H 0.0805 0.1710 0.3434 0.172 Uiso 0.50 1 d PR A 3
C6A C 0.5473(17) 0.2100(14) 0.3466(14) 0.131(7) Uani 1 1 d DU A 3
H6A H 0.5186 0.1664 0.3696 0.197 Uiso 0.50 1 d PR A 3
H6B H 0.6156 0.1991 0.3230 0.197 Uiso 0.50 1 d PR A 3
H6C H 0.5739 0.2435 0.4064 0.197 Uiso 0.50 1 d PR A 3
H6D H 0.5875 0.1767 0.4043 0.197 Uiso 0.50 1 d PR A 3
H6E H 0.5261 0.1857 0.2778 0.197 Uiso 0.50 1 d PR A 3
H6F H 0.6023 0.2495 0.3487 0.197 Uiso 0.50 1 d PR A 3
C7A C 0.3841(18) 0.1991(14) 0.0839(17) 0.121(7) Uani 1 1 d DU A 3
H7A H 0.3598 0.1523 0.1008 0.182 Uiso 0.50 1 d PR A 3
H7B H 0.3164 0.2205 0.0264 0.182 Uiso 0.50 1 d PR A 3
H7C H 0.4544 0.1943 0.0609 0.182 Uiso 0.50 1 d PR A 3
H7D H 0.3976 0.1503 0.0655 0.182 Uiso 0.50 1 d PR A 3
H7E H 0.3651 0.2291 0.0204 0.182 Uiso 0.50 1 d PR A 3
H7F H 0.4576 0.2168 0.1394 0.182 Uiso 0.50 1 d PR A 3
C8A C 0.494(2) 0.3408(13) 0.168(2) 0.048(6) Uani 0.50 1 d PU A 3
H8A H 0.4237 0.3587 0.1090 0.072 Uiso 0.50 1 d PR A 3
H8B H 0.5195 0.3761 0.2249 0.072 Uiso 0.50 1 d PR A 3
H8C H 0.5611 0.3318 0.1416 0.072 Uiso 0.50 1 d PR A 3
C9A C 0.3584(16) 0.5393(7) 0.4631(9) 0.057(3) Uani 1 1 d . A 3
H9A H 0.3264 0.5845 0.4286 0.086 Uiso 0.50 1 d PR A 3
H9B H 0.2955 0.5150 0.4827 0.086 Uiso 0.50 1 d PR A 3
H9C H 0.4293 0.5481 0.5273 0.086 Uiso 0.50 1 d PR A 3
H9D H 0.3741 0.5884 0.4879 0.086 Uiso 0.50 1 d PR A 3
H9E H 0.3138 0.5150 0.5027 0.086 Uiso 0.50 1 d PR A 3
H9F H 0.4357 0.5151 0.4749 0.086 Uiso 0.50 1 d PR A 3
C10A C 0.5646(11) 0.5274(9) 0.3242(10) 0.084(4) Uani 1 1 d DU A 3
H10A H 0.5397 0.5744 0.2930 0.126 Uiso 0.50 1 d PR A 3
H10B H 0.6361 0.5321 0.3892 0.126 Uiso 0.50 1 d PR A 3
H10C H 0.5846 0.4975 0.2728 0.126 Uiso 0.50 1 d PR A 3
H10D H 0.5915 0.4918 0.3809 0.126 Uiso 0.50 1 d PR A 3
H10E H 0.6353 0.5466 0.3104 0.126 Uiso 0.50 1 d PR A 3
H10F H 0.5225 0.5658 0.3464 0.126 Uiso 0.50 1 d PR A 3
C11A C 0.492(3) 0.4086(17) 0.428(3) 0.072(10) Uani 0.50 1 d PU A 3
H11A H 0.4303 0.3829 0.4480 0.108 Uiso 0.50 1 d PR A 3
H11B H 0.5128 0.3811 0.3747 0.108 Uiso 0.50 1 d PR A 3
H11C H 0.5644 0.4158 0.4911 0.108 Uiso 0.50 1 d PR A 3
C12A C 0.286(2) 0.6376(7) 0.2454(15) 0.128(7) Uani 1 1 d DU A 3
H12A H 0.3142 0.6729 0.2052 0.192 Uiso 0.50 1 d PR A 3
H12B H 0.2020 0.6475 0.2380 0.192 Uiso 0.50 1 d PR A 3
H12C H 0.3378 0.6397 0.3209 0.192 Uiso 0.50 1 d PR A 3
H12D H 0.3060 0.6742 0.3008 0.192 Uiso 0.50 1 d PR A 3
H12E H 0.3531 0.6337 0.2175 0.192 Uiso 0.50 1 d PR A 3
H12F H 0.2114 0.6504 0.1873 0.192 Uiso 0.50 1 d PR A 3
C13A C 0.3825(18) 0.5556(11) 0.0748(15) 0.090(5) Uani 1 1 d DU A 3
H13A H 0.3980 0.6051 0.0617 0.135 Uiso 0.50 1 d PR A 3
H13B H 0.4588 0.5331 0.1185 0.135 Uiso 0.50 1 d PR A 3
H13C H 0.3489 0.5306 0.0066 0.135 Uiso 0.50 1 d PR A 3
H13D H 0.3270 0.5335 0.0098 0.135 Uiso 0.50 1 d PR A 3
H13E H 0.3403 0.5940 0.0969 0.135 Uiso 0.50 1 d PR A 3
H13F H 0.4531 0.5748 0.0608 0.135 Uiso 0.50 1 d PR A 3
C14A C 0.103(2) 0.5402(14) 0.044(2) 0.063(6) Uani 0.50 1 d PDU A 3
H14A H 0.0789 0.5850 0.0052 0.094 Uiso 0.50 1 d PR A 3
H14B H 0.1004 0.5023 -0.0071 0.094 Uiso 0.50 1 d PR A 3
H14C H 0.0468 0.5290 0.0811 0.094 Uiso 0.50 1 d PR A 3
C15A C -0.1597(9) 0.3744(17) 0.2833(8) 0.088(3) Uani 1 1 d U A 3
H15A H -0.2099 0.3341 0.2475 0.133 Uiso 0.50 1 d PR A 3
H15B H -0.0907 0.3574 0.3441 0.133 Uiso 0.50 1 d PR A 3
H15C H -0.2087 0.4071 0.3086 0.133 Uiso 0.50 1 d PR A 3
H15D H -0.0899 0.3977 0.3361 0.133 Uiso 0.50 1 d PR A 3
H15E H -0.2235 0.4095 0.2510 0.133 Uiso 0.50 1 d PR A 3
H15F H -0.1911 0.3375 0.3183 0.133 Uiso 0.50 1 d PR A 3
C16A C -0.2304(13) 0.4779(11) 0.0647(11) 0.105(5) Uani 1 1 d DU A 3
H16A H -0.2894 0.4413 0.0282 0.158 Uiso 0.50 1 d PR A 3
H16B H -0.2693 0.5126 0.0968 0.158 Uiso 0.50 1 d PR A 3
H16C H -0.2011 0.5016 0.0131 0.158 Uiso 0.50 1 d PR A 3
H16D H -0.1970 0.5132 0.1211 0.158 Uiso 0.50 1 d PR A 3
H16E H -0.2975 0.4989 0.0062 0.158 Uiso 0.50 1 d PR A 3
H16F H -0.2603 0.4371 0.0935 0.158 Uiso 0.50 1 d PR A 3
C17A C 0.017(3) 0.497(2) 0.273(2) 0.110(13) Uani 0.50 1 d PDU A 3
H17A H 0.0903 0.4821 0.3310 0.165 Uiso 0.50 1 d PR A 3
H17B H 0.0400 0.5201 0.2169 0.165 Uiso 0.50 1 d PR A 3
H17C H -0.0282 0.5311 0.3006 0.165 Uiso 0.50 1 d PR A 3
C18A C -0.2422(15) 0.2882(16) 0.0566(16) 0.161(12) Uani 1 1 d DU A 3
H18A H -0.3002 0.2752 -0.0136 0.242 Uiso 0.50 1 d PR A 3
H18B H -0.2232 0.2464 0.1029 0.242 Uiso 0.50 1 d PR A 3
H18C H -0.2780 0.3249 0.0884 0.242 Uiso 0.50 1 d PR A 3
H18D H -0.2052 0.2694 0.0068 0.242 Uiso 0.50 1 d PR A 3
H18E H -0.2754 0.2491 0.0861 0.242 Uiso 0.50 1 d PR A 3
H18F H -0.3078 0.3210 0.0188 0.242 Uiso 0.50 1 d PR A 3
C19A C -0.1455(12) 0.3717(10) -0.1039(7) 0.120(4) Uani 1 1 d DU A 3
H19A H -0.2237 0.3512 -0.1474 0.180 Uiso 0.50 1 d PR A 3
H19B H -0.1557 0.4225 -0.0942 0.180 Uiso 0.50 1 d PR A 3
H19C H -0.0864 0.3650 -0.1399 0.180 Uiso 0.50 1 d PR A 3
H19D H -0.0762 0.3595 -0.1255 0.180 Uiso 0.50 1 d PR A 3
H19E H -0.1740 0.3292 -0.0779 0.180 Uiso 0.50 1 d PR A 3
H19F H -0.2113 0.3910 -0.1653 0.180 Uiso 0.50 1 d PR A 3
C20A C 0.021(2) 0.2422(13) 0.006(3) 0.070(10) Uani 0.50 1 d PD A 3
H20A H -0.0227 0.2056 -0.0447 0.105 Uiso 0.50 1 d PR A 3
H20B H 0.0783 0.2663 -0.0206 0.105 Uiso 0.50 1 d PR A 3
H20C H 0.0656 0.2201 0.0752 0.105 Uiso 0.50 1 d PR A 3
C5B C 0.464(2) 0.3432(10) 0.432(2) 0.037(5) Uani 0.50 1 d PDU A 4
H5D H 0.5374 0.3319 0.4932 0.056 Uiso 0.50 1 d PR A 4
H5E H 0.4852 0.3751 0.3836 0.056 Uiso 0.50 1 d PR A 4
H5F H 0.4048 0.3665 0.4580 0.056 Uiso 0.50 1 d PR A 4
C8B C 0.085(3) 0.229(2) 0.030(4) 0.084(12) Uani 0.50 1 d PU A 4
H8D H 0.0586 0.1881 -0.0163 0.127 Uiso 0.50 1 d PR A 4
H8E H 0.0250 0.2403 0.0635 0.127 Uiso 0.50 1 d PR A 4
H8F H 0.0940 0.2702 -0.0119 0.127 Uiso 0.50 1 d PR A 4
C11B C 0.1036(15) 0.5471(16) 0.302(3) 0.051(5) Uani 0.50 1 d PDU A 4
H11D H 0.0854 0.5873 0.3404 0.076 Uiso 0.50 1 d PR A 4
H11E H 0.0434 0.5450 0.2298 0.076 Uiso 0.50 1 d PR A 4
H11F H 0.1005 0.5031 0.3401 0.076 Uiso 0.50 1 d PR A 4
C14B C 0.471(3) 0.3940(9) 0.158(3) 0.065(9) Uani 0.50 1 d PDU A 4
H14D H 0.5508 0.3971 0.1494 0.097 Uiso 0.50 1 d PR A 4
H14E H 0.4767 0.3622 0.2171 0.097 Uiso 0.50 1 d PR A 4
H14F H 0.4113 0.3756 0.0919 0.097 Uiso 0.50 1 d PR A 4
C17B C -0.029(2) 0.2510(10) 0.2567(18) 0.052(5) Uani 0.50 1 d PDU A 4
H17D H -0.0885 0.2208 0.2731 0.078 Uiso 0.50 1 d PR A 4
H17E H 0.0146 0.2228 0.2203 0.078 Uiso 0.50 1 d PR A 4
H17F H 0.0285 0.2702 0.3231 0.078 Uiso 0.50 1 d PR A 4
C20B C 0.010(3) 0.5230(12) 0.022(3) 0.067(7) Uani 0.50 1 d PDU A 4
H20D H -0.0317 0.5567 -0.0349 0.100 Uiso 0.50 1 d PR A 4
H20E H 0.0297 0.5461 0.0913 0.100 Uiso 0.50 1 d PR A 4
H20F H 0.0854 0.5072 0.0124 0.100 Uiso 0.50 1 d PR A 4
C21 C 0.2289(19) 0.5626(13) -0.263(2) 0.107(8) Uani 1 1 d . A .
H21A H 0.2746 0.6090 -0.2548 0.128 Uiso 1 1 calc R . .
H21B H 0.2105 0.5530 -0.1960 0.128 Uiso 1 1 calc R . .
C22 C 0.1129(18) 0.5652(10) -0.360(2) 0.094(7) Uani 1 1 d . . .
H22A H 0.0726 0.6132 -0.3649 0.112 Uiso 1 1 calc R A .
H22B H 0.1308 0.5567 -0.4276 0.112 Uiso 1 1 calc R . .
C23 C -0.078(3) 0.5070(14) -0.438(2) 0.140(13) Uani 1 1 d D . .
H23A H -0.0605 0.4983 -0.5056 0.168 Uiso 1 1 calc R A .
H23B H -0.1257 0.5527 -0.4457 0.168 Uiso 1 1 calc R . .
C24 C -0.151(2) 0.4439(9) -0.4145(19) 0.081(6) Uani 1 1 d D A .
H24A H -0.1575 0.4495 -0.3412 0.097 Uiso 1 1 calc R . .
H24B H -0.2364 0.4431 -0.4695 0.097 Uiso 1 1 calc R . .
C25 C -0.155(2) 0.3152(10) -0.409(2) 0.148(14) Uani 1 1 d D . .
H25A H -0.2404 0.3159 -0.4642 0.178 Uiso 1 1 calc R A .
H25B H -0.1612 0.3128 -0.3355 0.178 Uiso 1 1 calc R . .
C26 C -0.084(2) 0.2504(10) -0.428(2) 0.082(6) Uani 1 1 d DU A .
H26A H -0.1299 0.2054 -0.4261 0.098 Uiso 1 1 calc R . .
H26B H -0.0756 0.2542 -0.5007 0.098 Uiso 1 1 calc R . .
C27 C 0.096(3) 0.1846(11) -0.363(3) 0.153(11) Uani 1 1 d DU . .
H27A H 0.1050 0.1861 -0.4361 0.183 Uiso 1 1 calc R A .
H27B H 0.0480 0.1408 -0.3598 0.183 Uiso 1 1 calc R . .
C28 C 0.224(3) 0.1811(14) -0.275(2) 0.144(11) Uani 1 1 d DU A .
H28A H 0.2151 0.1774 -0.2022 0.173 Uiso 1 1 calc R . .
H28B H 0.2686 0.1376 -0.2856 0.173 Uiso 1 1 calc R . .
C29 C 0.4165(19) 0.2390(14) -0.203(3) 0.138(11) Uani 1 1 d DU . .
H29A H 0.4575 0.1946 -0.2167 0.166 Uiso 1 1 calc R A .
H29B H 0.4173 0.2380 -0.1273 0.166 Uiso 1 1 calc R . .
C30 C 0.482(2) 0.3062(14) -0.223(2) 0.106(9) Uani 1 1 d D A .
H30A H 0.5693 0.3065 -0.1712 0.128 Uiso 1 1 calc R . .
H30B H 0.4840 0.3051 -0.2982 0.128 Uiso 1 1 calc R . .
C31 C 0.484(3) 0.4338(13) -0.242(2) 0.098(7) Uani 1 1 d D . .
H31A H 0.5756 0.4359 -0.2042 0.118 Uiso 1 1 calc R A .
H31B H 0.4665 0.4355 -0.3220 0.118 Uiso 1 1 calc R . .
C32 C 0.4225(17) 0.4961(11) -0.2074(18) 0.083(5) Uani 1 1 d DU A .
H32A H 0.4184 0.4867 -0.1341 0.100 Uiso 1 1 calc R . .
H32B H 0.4706 0.5412 -0.2038 0.100 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'
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'
K K 0.2009 0.2494 '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
N4 U1 N5 122.9(7) . .
N4 U1 N3 118.2(3) . .
N5 U1 N3 118.8(7) . .
N4 U1 N1A 88.5(5) . .
N5 U1 N1A 89.8(3) . .
N3 U1 N1A 95.7(4) . .
N4 U1 N2A 84.5(6) . .
N5 U1 N2A 88.4(3) . .
N3 U1 N2A 93.5(5) . .
N1A U1 N2A 170.3(5) . .
O4 K1 O1 175.4(6) . .
O4 K1 O3 59.9(5) . .
O1 K1 O3 118.7(5) . .
O4 K1 O5 60.8(5) . .
O1 K1 O5 119.3(3) . .
O3 K1 O5 119.4(6) . .
O4 K1 O6 116.3(5) . .
O1 K1 O6 64.6(4) . .
O3 K1 O6 174.1(4) . .
O5 K1 O6 56.0(4) . .
O4 K1 O2 118.9(3) . .
O1 K1 O2 60.9(5) . .
O3 K1 O2 59.9(5) . .
O5 K1 O2 178.2(6) . .
O6 K1 O2 124.6(5) . .
O4 K1 C2A 94.2(5) . 1_554
O1 K1 C2A 81.2(5) . 1_554
O3 K1 C2A 82.5(2) . 1_554
O5 K1 C2A 90.1(5) . 1_554
O6 K1 C2A 93.6(3) . 1_554
O2 K1 C2A 88.2(5) . 1_554
O4 K1 C1A 97.0(4) . .
O1 K1 C1A 87.7(4) . .
O3 K1 C1A 104.1(3) . .
O5 K1 C1A 94.3(4) . .
O6 K1 C1A 80.4(3) . .
O2 K1 C1A 87.5(4) . .
C2A K1 C1A 168.8(4) 1_554 .
N3 Si1A C3A 125.4(11) . .
N3 Si1A C4A 102.7(8) . .
C3A Si1A C4A 118.8(7) . .
N3 Si1A C5A 104(2) . .
C3A Si1A C5A 105(2) . .
C4A Si1A C5A 95.2(19) . .
N3 Si2A C8A 117.2(10) . .
N3 Si2A C7A 98.6(8) . .
C8A Si2A C7A 101.8(13) . .
N3 Si2A C6A 104.4(9) . .
C8A Si2A C6A 118.6(13) . .
C7A Si2A C6A 114.9(13) . .
N4 Si3A C11A 107.9(13) . .
N4 Si3A C9A 111.1(9) . .
C11A Si3A C9A 106.1(14) . .
N4 Si3A C10A 107.1(9) . .
C11A Si3A C10A 95.7(13) . .
C9A Si3A C10A 126.6(9) . .
N4 Si4A C14A 113.1(12) . .
N4 Si4A C13A 108.1(9) . .
C14A Si4A C13A 107.2(15) . .
N4 Si4A C12A 105.2(9) . .
C14A Si4A C12A 116.0(13) . .
C13A Si4A C12A 107.0(11) . .
N5 Si5A C15A 118.6(11) . .
N5 Si5A C16A 106.2(8) . .
C15A Si5A C16A 119.9(9) . .
N5 Si5A C17A 99.2(14) . .
C15A Si5A C17A 106.2(14) . .
C16A Si5A C17A 103.7(10) . .
N5 Si6A C20A 115.1(11) . .
N5 Si6A C18A 102.6(8) . .
C20A Si6A C18A 125.9(14) . .
N5 Si6A C19A 100.3(8) . .
C20A Si6A C19A 106.2(14) . .
C18A Si6A C19A 103.3(10) . .
N3 Si1B C5B 115.7(11) . .
N3 Si1B C3A 118.1(10) . .
C5B Si1B C3A 108.9(12) . .
N3 Si1B C6A 107.6(10) . .
C5B Si1B C6A 102.2(13) . .
C3A Si1B C6A 102.2(11) . .
N3 Si2B C8B 110.9(16) . .
N3 Si2B C7A 99.4(9) . .
C8B Si2B C7A 116.0(17) . .
N3 Si2B C4A 100.0(8) . .
C8B Si2B C4A 118.8(15) . .
C7A Si2B C4A 108.8(12) . .
C11B Si3B N4 114.1(13) . .
C11B Si3B C9A 108.4(13) . .
N4 Si3B C9A 107.0(9) . .
C11B Si3B C12A 106.1(12) . .
N4 Si3B C12A 107.2(9) . .
C9A Si3B C12A 114.1(8) . .
N4 Si4B C14B 104.6(12) . .
N4 Si4B C13A 107.7(8) . .
C14B Si4B C13A 115.0(13) . .
N4 Si4B C10A 102.2(7) . .
C14B Si4B C10A 113.6(11) . .
C13A Si4B C10A 112.4(11) . .
N5 Si5B C15A 120.0(13) . .
N5 Si5B C17B 110.6(12) . .
C15A Si5B C17B 99.8(13) . .
N5 Si5B C18A 107.6(9) . .
C15A Si5B C18A 115.1(9) . .
C17B Si5B C18A 102.0(13) . .
C20B Si6B N5 112.1(13) . .
C20B Si6B C16A 108.2(14) . .
N5 Si6B C16A 100.4(7) . .
C20B Si6B C19A 123.2(13) . .
N5 Si6B C19A 95.5(6) . .
C16A Si6B C19A 114.4(9) . .
C20B Si6B Si5A 112.1(12) . .
C32 O1 C21 114.9(17) . .
C32 O1 K1 111.2(12) . .
C21 O1 K1 108.9(12) . .
C22 O2 C23 111.4(17) . .
C22 O2 K1 109.1(12) . .
C23 O2 K1 111.3(15) . .
C24 O3 C25 113.6(9) . .
C24 O3 K1 116.9(11) . .
C25 O3 K1 115.7(12) . .
C26 O4 C27 109.7(19) . .
C26 O4 K1 116.4(13) . .
C27 O4 K1 116.0(15) . .
C29 O5 C28 111(2) . .
C29 O5 K1 119.7(17) . .
C28 O5 K1 116.8(16) . .
C30 O6 C31 113.6(12) . .
C30 O6 K1 120.9(13) . .
C31 O6 K1 104.9(11) . .
C1A N1A U1 174.6(7) . .
C2A N2A U1 176.4(12) . .
N1A C1A K1 172.4(6) . .
N2A C2A K1 175.3(11) . 1_556
Si1B N3 Si2B 128.9(11) . .
Si1A N3 Si2A 113.2(11) . .
Si1B N3 U1 115.4(8) . .
Si1A N3 U1 126.0(11) . .
Si2B N3 U1 115.4(9) . .
Si2A N3 U1 117.4(8) . .
Si3A N4 Si4A 112.8(9) . .
Si3B N4 Si4B 118.9(9) . .
Si3A N4 U1 129.1(9) . .
Si3B N4 U1 122.1(9) . .
Si4A N4 U1 117.9(8) . .
Si4B N4 U1 118.6(9) . .
Si5A N5 Si6A 118.0(6) . .
Si5B N5 Si6B 116.5(7) . .
Si5B N5 U1 125.3(9) . .
Si5A N5 U1 124.0(6) . .
Si6A N5 U1 116.4(8) . .
Si6B N5 U1 117.4(8) . .
Si1A C3A H3A 102.6 . .
Si1A C3A H3B 106.2 . .
H3A C3A H3B 109.5 . .
Si1A C3A H3C 119.1 . .
H3A C3A H3C 109.5 . .
H3B C3A H3C 109.5 . .
Si1B C3A H3D 117.8 . .
Si1B C3A H3E 97.2 . .
H3D C3A H3E 109.6 . .
Si1B C3A H3F 112.7 . .
H3D C3A H3F 109.4 . .
H3E C3A H3F 109.4 . .
Si1A C4A H4A 98.4 . .
Si1A C4A H4B 103.8 . .
H4A C4A H4B 109.5 . .
Si1A C4A H4C 125.3 . .
H4A C4A H4C 109.4 . .
H4B C4A H4C 109.4 . .
Si2B C4A H4D 109.4 . .
Si2B C4A H4E 112.7 . .
H4D C4A H4E 109.4 . .
Si2B C4A H4F 106.3 . .
H4D C4A H4F 109.5 . .
H4E C4A H4F 109.5 . .
Si1A C5A H5A 117.5 . .
Si1A C5A H5B 102.6 . .
H5A C5A H5B 109.5 . .
Si1A C5A H5C 108.0 . .
H5A C5A H5C 109.5 . .
H5B C5A H5C 109.4 . .
Si2A C6A H6A 118.2 . .
H6A C6A H6B 109.4 . .
Si2A C6A H6C 110.0 . .
H6A C6A H6C 109.6 . .
H6B C6A H6C 109.5 . .
Si1B C6A H6D 113.5 . .
Si1B C6A H6E 110.3 . .
H6D C6A H6E 109.3 . .
H6D C6A H6F 109.6 . .
H6E C6A H6F 109.5 . .
Si2A C7A H7A 109.4 . .
Si2A C7A H7B 112.1 . .
H7A C7A H7B 109.5 . .
H7A C7A H7C 109.5 . .
H7B C7A H7C 109.5 . .
Si2B C7A H7D 109.3 . .
Si2B C7A H7E 108.7 . .
H7D C7A H7E 109.6 . .
Si2B C7A H7F 110.5 . .
H7D C7A H7F 109.5 . .
H7E C7A H7F 109.3 . .
Si2A C8A H8A 104.8 . .
Si2A C8A H8B 110.0 . .
H8A C8A H8B 109.3 . .
Si2A C8A H8C 113.5 . .
H8A C8A H8C 109.6 . .
H8B C8A H8C 109.5 . .
Si3A C9A H9A 103.5 . .
Si3A C9A H9B 118.9 . .
H9A C9A H9B 109.5 . .
Si3A C9A H9C 105.7 . .
H9A C9A H9C 109.4 . .
H9B C9A H9C 109.5 . .
Si3A C10A H10A 103.4 . .
Si3A C10A H10B 109.4 . .
H10A C10A H10B 109.4 . .
Si3A C10A H10C 115.5 . .
H10A C10A H10C 109.6 . .
H10B C10A H10C 109.4 . .
Si4B C10A H10D 110.4 . .
Si4B C10A H10E 114.4 . .
H10D C10A H10E 109.5 . .
Si4B C10A H10F 103.3 . .
H10D C10A H10F 109.5 . .
H10E C10A H10F 109.5 . .
Si3A C11A H11A 107.4 . .
Si3A C11A H11B 108.2 . .
H11A C11A H11B 109.5 . .
Si3A C11A H11C 112.8 . .
H11A C11A H11C 109.6 . .
H11B C11A H11C 109.4 . .
Si4A C12A H12A 102.7 . .
H12A C12A H12B 109.5 . .
Si4A C12A H12C 125.1 . .
H12A C12A H12C 109.4 . .
H12B C12A H12C 109.5 . .
Si3B C12A H12D 106.6 . .
Si3B C12A H12E 112.3 . .
H12D C12A H12E 109.4 . .
Si3B C12A H12F 109.5 . .
H12D C12A H12F 109.4 . .
H12E C12A H12F 109.5 . .
Si4A C13A H13A 110.3 . .
Si4A C13A H13B 109.6 . .
H13A C13A H13B 109.5 . .
Si4B C13A H13C 110.5 . .
Si4A C13A H13C 108.5 . .
H13A C13A H13C 109.5 . .
H13B C13A H13C 109.4 . .
Si4B C13A H13D 111.3 . .
Si4B C13A H13E 106.6 . .
H13D C13A H13E 109.5 . .
Si4B C13A H13F 110.4 . .
H13D C13A H13F 109.5 . .
H13E C13A H13F 109.4 . .
Si4A C14A H14A 109.5 . .
Si4A C14A H14B 112.2 . .
H14A C14A H14B 109.6 . .
Si4A C14A H14C 106.7 . .
H14A C14A H14C 109.4 . .
H14B C14A H14C 109.4 . .
Si5A C15A H15A 108.5 . .
Si5A C15A H15B 111.3 . .
H15A C15A H15B 109.4 . .
Si5A C15A H15C 108.6 . .
H15A C15A H15C 109.5 . .
H15B C15A H15C 109.6 . .
Si5B C15A H15D 108.9 . .
Si5B C15A H15E 110.9 . .
H15D C15A H15E 109.4 . .
Si5B C15A H15F 108.5 . .
H15D C15A H15F 109.6 . .
H15E C15A H15F 109.5 . .
Si5A C16A H16A 101.5 . .
Si5A C16A H16B 108.0 . .
H16A C16A H16B 109.5 . .
Si5A C16A H16C 118.4 . .
H16A C16A H16C 109.6 . .
H16B C16A H16C 109.5 . .
Si6B C16A H16D 107.9 . .
Si6B C16A H16E 112.8 . .
H16D C16A H16E 109.4 . .
Si6B C16A H16F 107.7 . .
H16D C16A H16F 109.6 . .
H16E C16A H16F 109.5 . .
Si5A C17A H17A 119.3 . .
Si5A C17A H17B 102.0 . .
H17A C17A H17B 109.4 . .
Si5A C17A H17C 106.8 . .
H17A C17A H17C 109.6 . .
H17B C17A H17C 109.4 . .
Si6A C18A H18A 104.3 . .
Si6A C18A H18B 105.0 . .
H18A C18A H18B 109.4 . .
Si6A C18A H18C 118.8 . .
H18A C18A H18C 109.4 . .
H18B C18A H18C 109.6 . .
Si5B C18A H18D 107.5 . .
Si5B C18A H18E 106.7 . .
H18D C18A H18E 109.4 . .
Si5B C18A H18F 114.1 . .
H18D C18A H18F 109.6 . .
H18E C18A H18F 109.5 . .
Si6A C19A H19A 104.4 . .
Si6A C19A H19B 117.5 . .
H19A C19A H19B 109.5 . .
Si6A C19A H19C 106.2 . .
H19A C19A H19C 109.5 . .
H19B C19A H19C 109.5 . .
Si6B C19A H19D 110.3 . .
Si6B C19A H19E 108.0 . .
H19D C19A H19E 109.4 . .
Si6B C19A H19F 110.1 . .
H19D C19A H19F 109.6 . .
H19E C19A H19F 109.5 . .
Si6A C20A H20A 111.7 . .
Si6A C20A H20B 109.3 . .
H20A C20A H20B 109.5 . .
Si6A C20A H20C 107.6 . .
H20A C20A H20C 109.3 . .
H20B C20A H20C 109.5 . .
Si1B C5B H5D 107.9 . .
Si1B C5B H5E 110.1 . .
H5D C5B H5E 109.4 . .
Si1B C5B H5F 110.5 . .
H5D C5B H5F 109.5 . .
H5E C5B H5F 109.4 . .
Si2B C8B H8D 104.6 . .
Si2B C8B H8E 112.1 . .
H8D C8B H8E 109.4 . .
Si2B C8B H8F 111.6 . .
H8D C8B H8F 109.6 . .
H8E C8B H8F 109.4 . .
Si3B C11B H11D 110.7 . .
Si3B C11B H11E 117.0 . .
H11D C11B H11E 109.4 . .
Si3B C11B H11F 100.3 . .
H11D C11B H11F 109.6 . .
H11E C11B H11F 109.4 . .
Si4B C14B H14D 106.3 . .
Si4B C14B H14E 108.3 . .
H14D C14B H14E 109.5 . .
Si4B C14B H14F 113.9 . .
H14D C14B H14F 109.5 . .
H14E C14B H14F 109.4 . .
Si5B C17B H17D 109.6 . .
Si5B C17B H17E 114.5 . .
H17D C17B H17E 109.4 . .
Si5B C17B H17F 104.2 . .
H17D C17B H17F 109.5 . .
H17E C17B H17F 109.4 . .
Si6B C20B H20D 110.0 . .
Si6B C20B H20E 107.8 . .
H20D C20B H20E 109.3 . .
Si6B C20B H20F 110.7 . .
H20D C20B H20F 109.5 . .
H20E C20B H20F 109.5 . .
O1 C21 C22 106(2) . .
O1 C21 H21A 110.6 . .
C22 C21 H21A 110.6 . .
O1 C21 H21B 110.6 . .
C22 C21 H21B 110.6 . .
H21A C21 H21B 108.8 . .
O2 C22 C21 106.8(17) . .
O2 C22 H22A 110.4 . .
C21 C22 H22A 110.4 . .
O2 C22 H22B 110.4 . .
C21 C22 H22B 110.4 . .
H22A C22 H22B 108.6 . .
O2 C23 C24 106.3(18) . .
O2 C23 H23A 110.5 . .
C24 C23 H23A 110.5 . .
O2 C23 H23B 110.5 . .
C24 C23 H23B 110.5 . .
H23A C23 H23B 108.7 . .
O3 C24 C23 108.7(18) . .
O3 C24 H24A 110.0 . .
C23 C24 H24A 110.0 . .
O3 C24 H24B 110.0 . .
C23 C24 H24B 110.0 . .
H24A C24 H24B 108.3 . .
O3 C25 C26 107.3(17) . .
O3 C25 H25A 110.3 . .
C26 C25 H25A 110.3 . .
O3 C25 H25B 110.3 . .
C26 C25 H25B 110.3 . .
H25A C25 H25B 108.5 . .
O4 C26 C25 110.0(18) . .
O4 C26 H26A 109.7 . .
C25 C26 H26A 109.7 . .
O4 C26 H26B 109.7 . .
C25 C26 H26B 109.7 . .
H26A C26 H26B 108.2 . .
O4 C27 C28 110(2) . .
O4 C27 H27A 109.7 . .
C28 C27 H27A 109.7 . .
O4 C27 H27B 109.7 . .
C28 C27 H27B 109.7 . .
H27A C27 H27B 108.2 . .
O5 C28 C27 110(2) . .
O5 C28 H28A 109.7 . .
C27 C28 H28A 109.6 . .
O5 C28 H28B 109.7 . .
C27 C28 H28B 109.7 . .
H28A C28 H28B 108.2 . .
O5 C29 C30 105(2) . .
O5 C29 H29A 110.6 . .
C30 C29 H29A 110.6 . .
O5 C29 H29B 110.6 . .
C30 C29 H29B 110.6 . .
H29A C29 H29B 108.8 . .
O6 C30 C29 111(2) . .
O6 C30 H30A 109.5 . .
C29 C30 H30A 109.5 . .
O6 C30 H30B 109.5 . .
C29 C30 H30B 109.5 . .
H30A C30 H30B 108.1 . .
C32 C31 O6 107.0(18) . .
C32 C31 H31A 110.3 . .
O6 C31 H31A 110.3 . .
C32 C31 H31B 110.3 . .
O6 C31 H31B 110.3 . .
H31A C31 H31B 108.6 . .
O1 C32 C31 108.0(17) . .
O1 C32 H32A 110.1 . .
C31 C32 H32A 110.1 . .
O1 C32 H32B 110.1 . .
C31 C32 H32B 110.1 . .
H32A C32 H32B 108.4 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
U1 N4 2.201(14) .
U1 N5 2.246(7) .
U1 N3 2.316(16) .
U1 N1A 2.466(9) .
U1 N2A 2.471(9) .
K1 O4 2.774(19) .
K1 O1 2.780(15) .
K1 O3 2.789(7) .
K1 O5 2.78(2) .
K1 O6 2.833(8) .
K1 O2 2.882(15) .
K1 C2A 2.904(11) 1_554
K1 C1A 2.929(11) .
Si1A N3 1.658(19) .
Si1A C3A 1.813(9) .
Si1A C4A 1.951(9) .
Si1A C5A 1.95(4) .
Si2A N3 1.76(2) .
Si2A C8A 1.85(2) .
Si2A C7A 1.949(10) .
Si2A C6A 1.953(10) .
Si3A N4 1.696(18) .
Si3A C11A 1.85(3) .
Si3A C9A 1.87(2) .
Si3A C10A 1.993(9) .
Si4A N4 1.81(2) .
Si4A C14A 1.874(10) .
Si4A C13A 1.981(9) .
Si4A C12A 1.987(10) .
Si5A N5 1.695(17) .
Si5A C15A 1.80(2) .
Si5A C16A 2.005(9) .
Si5A C17A 2.05(3) .
Si6A N5 1.757(17) .
Si6A C20A 1.867(10) .
Si6A C18A 1.967(10) .
Si6A C19A 1.991(9) .
Si1B N3 1.66(2) .
Si1B C5B 1.876(10) .
Si1B C3A 1.93(3) .
Si1B C6A 1.969(10) .
Si2B N3 1.703(17) .
Si2B C8B 1.91(4) .
Si2B C7A 1.978(10) .
Si2B C4A 1.978(9) .
Si3B C11B 1.752(10) .
Si3B N4 1.781(19) .
Si3B C9A 1.880(14) .
Si3B C12A 1.963(9) .
Si4B N4 1.862(19) .
Si4B C14B 1.879(10) .
Si4B C13A 1.935(9) .
Si4B C10A 1.958(9) .
Si5B N5 1.638(18) .
Si5B C15A 1.826(19) .
Si5B C17B 1.854(10) .
Si5B C18A 1.961(10) .
Si6B C20B 1.877(10) .
Si6B N5 1.89(2) .
Si6B C16A 1.969(9) .
Si6B C19A 2.000(9) .
O1 C32 1.408(19) .
O1 C21 1.46(2) .
O2 C22 1.38(2) .
O2 C23 1.44(3) .
O3 C24 1.414(9) .
O3 C25 1.429(10) .
O4 C26 1.37(3) .
O4 C27 1.428(10) .
O5 C29 1.416(10) .
O5 C28 1.415(10) .
O6 C30 1.23(3) .
O6 C31 1.60(3) .
N1A C1A 1.163(12) .
N2A C2A 1.174(12) .
C2A K1 2.904(11) 1_556
C3A H3A 0.9581 .
C3A H3B 0.9579 .
C3A H3C 0.9573 .
C3A H3D 0.9573 .
C3A H3E 0.9576 .
C3A H3F 0.9574 .
C4A H4A 0.9577 .
C4A H4B 0.9579 .
C4A H4C 0.9559 .
C4A H4D 0.9582 .
C4A H4E 0.9559 .
C4A H4F 0.9578 .
C5A H5A 0.9581 .
C5A H5B 0.9560 .
C5A H5C 0.9577 .
C6A H6A 0.9581 .
C6A H6B 0.9580 .
C6A H6C 0.9568 .
C6A H6D 0.9568 .
C6A H6E 0.9564 .
C6A H6F 0.9580 .
C7A H7A 0.9581 .
C7A H7B 0.9566 .
C7A H7C 0.9579 .
C7A H7D 0.9583 .
C7A H7E 0.9567 .
C7A H7F 0.9566 .
C8A H8A 0.9566 .
C8A H8B 0.9571 .
C8A H8C 0.9576 .
C9A H9A 0.9583 .
C9A H9B 0.9580 .
C9A H9C 0.9562 .
C9A H9D 0.9583 .
C9A H9E 0.9578 .
C9A H9F 0.9574 .
C10A H10A 0.9577 .
C10A H10B 0.9561 .
C10A H10C 0.9575 .
C10A H10D 0.9571 .
C10A H10E 0.9579 .
C10A H10F 0.9580 .
C11A H11A 0.9575 .
C11A H11B 0.9573 .
C11A H11C 0.9563 .
C12A H12A 0.9580 .
C12A H12B 0.9575 .
C12A H12C 0.9557 .
C12A H12D 0.9573 .
C12A H12E 0.9578 .
C12A H12F 0.9565 .
C13A H13A 0.9583 .
C13A H13B 0.9569 .
C13A H13C 0.9565 .
C13A H13D 0.9565 .
C13A H13E 0.9582 .
C13A H13F 0.9577 .
C14A H14A 0.9578 .
C14A H14B 0.9575 .
C14A H14C 0.9575 .
C15A H15A 0.9573 .
C15A H15B 0.9564 .
C15A H15C 0.9581 .
C15A H15D 0.9568 .
C15A H15E 0.9576 .
C15A H15F 0.9579 .
C16A H16A 0.9576 .
C16A H16B 0.9577 .
C16A H16C 0.9572 .
C16A H16D 0.9568 .
C16A H16E 0.9564 .
C16A H16F 0.9583 .
C17A H17A 0.9564 .
C17A H17B 0.9571 .
C17A H17C 0.9582 .
C18A H18A 0.9560 .
C18A H18B 0.9574 .
C18A H18C 0.9582 .
C18A H18D 0.9573 .
C18A H18E 0.9580 .
C18A H18F 0.9573 .
C19A H19A 0.9571 .
C19A H19B 0.9581 .
C19A H19C 0.9578 .
C19A H19D 0.9578 .
C19A H19E 0.9585 .
C19A H19F 0.9563 .
C20A H20A 0.9572 .
C20A H20B 0.9579 .
C20A H20C 0.9563 .
C5B H5D 0.9563 .
C5B H5E 0.9575 .
C5B H5F 0.9578 .
C8B H8D 0.9575 .
C8B H8E 0.9576 .
C8B H8F 0.9577 .
C11B H11D 0.9577 .
C11B H11E 0.9559 .
C11B H11F 0.9579 .
C14B H14D 0.9580 .
C14B H14E 0.9569 .
C14B H14F 0.9563 .
C17B H17D 0.9582 .
C17B H17E 0.9579 .
C17B H17F 0.9563 .
C20B H20D 0.9569 .
C20B H20E 0.9566 .
C20B H20F 0.9578 .
C21 C22 1.48(3) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.527(10) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C26 1.516(10) .
C25 H25A 0.9900 .
C25 H25B 0.9900 .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.517(10) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.519(10) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C32 1.503(10) .
C31 H31A 0.9900 .
C31 H31B 0.9900 .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
