#------------------------------------------------------------------------------
#$Date: 2016-06-17 01:44:53 +0300 (Fri, 17 Jun 2016) $
#$Revision: 183567 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/12/50/4125049.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_4125049
loop_
_publ_author_name
'Yin, Haolin'
'Carroll, Patrick J.'
'Manor, Brian C.'
'Anna, Jessica M.'
'Schelter, Eric J.'
_publ_section_title
;
 Cerium Photosensitizers: Structure-Function Relationships and
 Applications in Photocatalytic Aryl Coupling Reactions.
;
_journal_issue                   18
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5984
_journal_page_last               5993
_journal_paper_doi               10.1021/jacs.6b02248
_journal_volume                  138
_journal_year                    2016
_chemical_formula_sum            'C57 H140 Ce2 I2 N12 Si8'
_chemical_formula_weight         1752.57
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.319(4)
_cell_angle_beta                 102.877(4)
_cell_angle_gamma                114.368(3)
_cell_formula_units_Z            1
_cell_length_a                   12.4517(8)
_cell_length_b                   13.3196(9)
_cell_length_c                   15.2765(17)
_cell_measurement_reflns_used    9916
_cell_measurement_temperature    100(1)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      2.66
_cell_volume                     2180.2(3)
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device       'CCD Area Detector'
_diffrn_measurement_device_type  'Bruker APEXII'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0175
_diffrn_reflns_av_sigmaI/netI    0.0140
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            43917
_diffrn_reflns_theta_full        27.56
_diffrn_reflns_theta_max         27.56
_diffrn_reflns_theta_min         1.89
_exptl_absorpt_coefficient_mu    1.886
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5755
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2007)'
_exptl_crystal_density_diffrn    1.335
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             900
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.10
_refine_diff_density_max         2.155
_refine_diff_density_min         -0.660
_refine_diff_density_rms         0.086
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.135
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     400
_refine_ls_number_reflns         9953
_refine_ls_number_restraints     49
_refine_ls_restrained_S_all      1.159
_refine_ls_R_factor_all          0.0280
_refine_ls_R_factor_gt           0.0239
_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)+(0.0184P)²+4.1783P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0600
_reflns_number_gt                9131
_reflns_number_total             9953
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja6b02248_si_002.cif
_cod_data_source_block           UP4739
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity' tag as specified in the
replacement file
'/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/lists/replacement-tags.lst'.

Automatic conversion script
Id: cif_correct_tags 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 4125048--4125054.cif.
;
_cod_original_sg_symbol_H-M      'P -1       '
_cod_database_code               4125049
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
Ce1 Ce 0.368967(11) 0.455919(11) 0.334710(8) 0.01485(4) Uani 1 1 d . . .
I1 I 0.340261(13) 0.409572(13) 0.534983(10) 0.01961(4) Uani 1 1 d . . .
Si1 Si 0.29126(7) 0.14848(6) 0.01538(5) 0.02460(15) Uani 1 1 d . . .
Si2 Si 0.53179(8) 0.21186(8) 0.16978(6) 0.0365(2) Uani 1 1 d . . .
Si3 Si 0.11324(7) 0.67639(7) 0.38967(5) 0.02443(15) Uani 1 1 d . . .
Si4 Si 0.10636(7) 0.66872(6) 0.18486(5) 0.02281(14) Uani 1 1 d . . .
N1 N 0.3000(2) 0.25914(18) 0.24169(15) 0.0229(4) Uani 1 1 d . . .
N2 N 0.42170(19) 0.40828(17) 0.19766(14) 0.0201(4) Uani 1 1 d . . .
N3 N 0.3949(2) 0.22286(18) 0.12666(14) 0.0224(4) Uani 1 1 d . . .
N4 N 0.34960(18) 0.63242(17) 0.32501(14) 0.0194(4) Uani 1 1 d . . .
N5 N 0.17658(18) 0.46650(17) 0.28292(14) 0.0201(4) Uani 1 1 d . . .
N6 N 0.15313(19) 0.63895(18) 0.29152(14) 0.0198(4) Uani 1 1 d . . .
C1 C 0.3703(2) 0.2960(2) 0.18767(16) 0.0199(5) Uani 1 1 d . . .
C2 C 0.2403(3) 0.1389(2) 0.24224(19) 0.0281(6) Uani 1 1 d . . .
H2 H 0.2761 0.0989 0.2095 0.037 Uiso 1 1 calc R . .
C3 C 0.1018(3) 0.0859(2) 0.1935(3) 0.0394(7) Uani 1 1 d . . .
H3a H 0.0653 0.1222 0.2268 0.059 Uiso 1 1 calc R . .
H3b H 0.0648 0.0062 0.1914 0.059 Uiso 1 1 calc R . .
H3c H 0.0880 0.0958 0.1315 0.059 Uiso 1 1 calc R . .
C4 C 0.2644(5) 0.1283(3) 0.3415(2) 0.0686(15) Uani 1 1 d . . .
H4a H 0.3518 0.1574 0.3700 0.103 Uiso 1 1 calc R . .
H4b H 0.2228 0.0497 0.3422 0.103 Uiso 1 1 calc R . .
H4c H 0.2340 0.1710 0.3751 0.103 Uiso 1 1 calc R . .
C5 C 0.4855(2) 0.4638(2) 0.13529(17) 0.0238(5) Uani 1 1 d . . .
H5 H 0.4853 0.4060 0.0885 0.032 Uiso 1 1 calc R . .
C6 C 0.4169(3) 0.5234(3) 0.0867(2) 0.0320(6) Uani 1 1 d . . .
H6a H 0.3328 0.4688 0.0540 0.048 Uiso 1 1 calc R . .
H6b H 0.4569 0.5576 0.0438 0.048 Uiso 1 1 calc R . .
H6c H 0.4181 0.5811 0.1320 0.048 Uiso 1 1 calc R . .
C7 C 0.6192(3) 0.5498(3) 0.1883(2) 0.0348(7) Uani 1 1 d . . .
H7a H 0.6202 0.6074 0.2336 0.052 Uiso 1 1 calc R . .
H7b H 0.6601 0.5842 0.1458 0.052 Uiso 1 1 calc R . .
H7c H 0.6614 0.5117 0.2188 0.052 Uiso 1 1 calc R . .
C8 C 0.1870(3) 0.2139(3) -0.0170(2) 0.0345(6) Uani 1 1 d . . .
H8a H 0.1578 0.2282 0.0340 0.052 Uiso 1 1 calc R . .
H8b H 0.1177 0.1631 -0.0698 0.052 Uiso 1 1 calc R . .
H8c H 0.2314 0.2843 -0.0320 0.052 Uiso 1 1 calc R . .
C9 C 0.1970(3) -0.0062(3) 0.0039(2) 0.0386(7) Uani 1 1 d . . .
H9a H 0.2510 -0.0394 0.0229 0.058 Uiso 1 1 calc R . .
H9b H 0.1476 -0.0429 -0.0595 0.058 Uiso 1 1 calc R . .
H9c H 0.1440 -0.0160 0.0425 0.058 Uiso 1 1 calc R . .
C10 C 0.3804(4) 0.1579(3) -0.0692(2) 0.0439(8) Uani 1 1 d . . .
H10a H 0.4289 0.2362 -0.0675 0.066 Uiso 1 1 calc R . .
H10b H 0.3240 0.1185 -0.1304 0.066 Uiso 1 1 calc R . .
H10c H 0.4341 0.1237 -0.0532 0.066 Uiso 1 1 calc R . .
C11 C 0.5934(4) 0.2734(4) 0.2971(3) 0.0640(13) Uani 1 1 d . . .
H11a H 0.6122 0.3523 0.3099 0.096 Uiso 1 1 calc R . .
H11b H 0.6673 0.2664 0.3215 0.096 Uiso 1 1 calc R . .
H11c H 0.5325 0.2334 0.3256 0.096 Uiso 1 1 calc R . .
C12 C 0.4972(4) 0.0589(3) 0.1477(3) 0.0540(10) Uani 1 1 d . . .
H12a H 0.4316 0.0181 0.1721 0.081 Uiso 1 1 calc R . .
H12b H 0.5700 0.0527 0.1775 0.081 Uiso 1 1 calc R . .
H12c H 0.4723 0.0272 0.0822 0.081 Uiso 1 1 calc R . .
C13 C 0.6536(3) 0.2854(4) 0.1161(3) 0.0656(12) Uani 1 1 d . . .
H13a H 0.6293 0.2444 0.0529 0.098 Uiso 1 1 calc R . .
H13b H 0.7303 0.2886 0.1498 0.098 Uiso 1 1 calc R . .
H13c H 0.6640 0.3613 0.1180 0.098 Uiso 1 1 calc R . .
C14 C 0.2267(2) 0.5797(2) 0.29946(16) 0.0175(4) Uani 1 1 d . . .
C15 C 0.4204(2) 0.7564(2) 0.35004(18) 0.0220(5) Uani 1 1 d . . .
H15 H 0.3644 0.7892 0.3301 0.029 Uiso 1 1 calc R . .
C16 C 0.4809(3) 0.8004(3) 0.4544(2) 0.0345(6) Uani 1 1 d . . .
H16a H 0.4180 0.7798 0.4849 0.052 Uiso 1 1 calc R . .
H16b H 0.5280 0.8817 0.4698 0.052 Uiso 1 1 calc R . .
H16c H 0.5347 0.7674 0.4745 0.052 Uiso 1 1 calc R . .
C17 C 0.5204(3) 0.7928(2) 0.3023(2) 0.0340(6) Uani 1 1 d . . .
H17a H 0.5757 0.7611 0.3218 0.051 Uiso 1 1 calc R . .
H17b H 0.5658 0.8743 0.3186 0.051 Uiso 1 1 calc R . .
H17c H 0.4827 0.7659 0.2364 0.051 Uiso 1 1 calc R . .
C18 C 0.0433(2) 0.3931(2) 0.24634(19) 0.0254(5) Uani 1 1 d . . .
H18 H 0.0002 0.4402 0.2475 0.034 Uiso 1 1 calc R . .
C19 C 0.0116(3) 0.3294(2) 0.1463(2) 0.0327(6) Uani 1 1 d . . .
H19a H 0.0351 0.3830 0.1093 0.049 Uiso 1 1 calc R . .
H19b H -0.0758 0.2801 0.1223 0.049 Uiso 1 1 calc R . .
H19c H 0.0556 0.2849 0.1446 0.049 Uiso 1 1 calc R . .
C20 C 0.0026(3) 0.3092(3) 0.3058(2) 0.0356(7) Uani 1 1 d . . .
H20a H 0.0469 0.2649 0.3069 0.053 Uiso 1 1 calc R . .
H20b H -0.0847 0.2596 0.2800 0.053 Uiso 1 1 calc R . .
H20c H 0.0198 0.3502 0.3677 0.053 Uiso 1 1 calc R . .
C21 C 0.1520(3) 0.6028(3) 0.47784(19) 0.0302(6) Uani 1 1 d . . .
H21a H 0.0999 0.5223 0.4551 0.045 Uiso 1 1 calc R . .
H21b H 0.1390 0.6295 0.5340 0.045 Uiso 1 1 calc R . .
H21c H 0.2371 0.6184 0.4900 0.045 Uiso 1 1 calc R . .
C22 C -0.0557(3) 0.6321(3) 0.3568(2) 0.0437(8) Uani 1 1 d . . .
H22a H -0.0755 0.6740 0.3146 0.066 Uiso 1 1 calc R . .
H22b H -0.0782 0.6473 0.4114 0.066 Uiso 1 1 calc R . .
H22c H -0.1006 0.5522 0.3276 0.066 Uiso 1 1 calc R . .
C23 C 0.1968(3) 0.8330(3) 0.4432(2) 0.0405(7) Uani 1 1 d . . .
H23a H 0.2837 0.8600 0.4519 0.061 Uiso 1 1 calc R . .
H23b H 0.1836 0.8480 0.5020 0.061 Uiso 1 1 calc R . .
H23c H 0.1658 0.8714 0.4030 0.061 Uiso 1 1 calc R . .
C24 C 0.2038(3) 0.6544(3) 0.1130(2) 0.0361(7) Uani 1 1 d . . .
H24a H 0.2880 0.7110 0.1423 0.054 Uiso 1 1 calc R . .
H24b H 0.1742 0.6646 0.0528 0.054 Uiso 1 1 calc R . .
H24c H 0.1996 0.5801 0.1067 0.054 Uiso 1 1 calc R . .
C25 C 0.1270(3) 0.8171(3) 0.2043(2) 0.0350(6) Uani 1 1 d . . .
H25a H 0.0740 0.8249 0.2389 0.053 Uiso 1 1 calc R . .
H25b H 0.1058 0.8343 0.1456 0.053 Uiso 1 1 calc R . .
H25c H 0.2116 0.8688 0.2384 0.053 Uiso 1 1 calc R . .
C26 C -0.0599(3) 0.5745(3) 0.1195(2) 0.0355(7) Uani 1 1 d . . .
H26a H -0.0743 0.4968 0.1065 0.053 Uiso 1 1 calc R . .
H26b H -0.0806 0.5950 0.0624 0.053 Uiso 1 1 calc R . .
H26c H -0.1105 0.5832 0.1560 0.053 Uiso 1 1 calc R . .
C27 C -0.1302(12) -0.0539(11) 0.3203(6) 0.173(7) Uani 0.50 1 d PGU A -1
H27a H -0.2085 -0.1055 0.2755 0.260 Uiso 0.50 1 calc PR A -1
H27b H -0.0645 -0.0551 0.2978 0.260 Uiso 0.50 1 calc PR A -1
H27c H -0.1227 0.0217 0.3302 0.260 Uiso 0.50 1 calc PR A -1
C28 C -0.1219(8) -0.0900(8) 0.4118(7) 0.120(4) Uani 0.50 1 d PGU A -1
H28a H -0.1303 -0.1666 0.4010 0.159 Uiso 0.50 1 calc PR A -1
H28b H -0.1905 -0.0915 0.4327 0.159 Uiso 0.50 1 calc PR A -1
C29 C -0.0003(9) -0.0112(8) 0.4884(6) 0.083(3) Uani 0.50 1 d PGU A -1
H29a H 0.0080 0.0654 0.4989 0.110 Uiso 0.50 1 calc PR A -1
H29b H 0.0682 -0.0097 0.4672 0.110 Uiso 0.50 1 calc PR A -1
C30 C 0.0092(8) -0.0464(9) 0.5804(7) 0.136(5) Uani 0.50 1 d PGU A -1
H30a H -0.0590 -0.0478 0.6017 0.181 Uiso 0.50 1 calc PR A -1
H30b H 0.0012 -0.1229 0.5700 0.181 Uiso 0.50 1 calc PR A -1
C31 C 0.1311(9) 0.0330(10) 0.6562(6) 0.112(4) Uani 0.50 1 d PGU A -1
H31a H 0.1317 0.0068 0.7119 0.169 Uiso 0.50 1 calc PR A -1
H31b H 0.1389 0.1087 0.6680 0.169 Uiso 0.50 1 calc PR A -1
H31c H 0.1992 0.0335 0.6363 0.169 Uiso 0.50 1 calc PR A -1
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'
Ce Ce -0.2486 2.6331 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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_3
N2 Ce1 N5 106.92(7) .
N2 Ce1 N4 104.66(7) .
N5 Ce1 N4 54.50(7) .
N2 Ce1 N1 54.04(7) .
N5 Ce1 N1 98.34(7) .
N4 Ce1 N1 142.09(7) .
N2 Ce1 C14 109.61(7) .
N5 Ce1 C14 27.33(7) .
N4 Ce1 C14 27.28(6) .
N1 Ce1 C14 122.71(7) .
N2 Ce1 C1 27.14(7) .
N5 Ce1 C1 106.92(7) .
N4 Ce1 C1 127.67(7) .
N1 Ce1 C1 27.17(7) .
C14 Ce1 C1 122.14(7) .
N2 Ce1 I1 148.27(5) .
N5 Ce1 I1 95.73(5) .
N4 Ce1 I1 106.57(5) .
N1 Ce1 I1 101.61(5) .
C14 Ce1 I1 100.75(5) .
C1 Ce1 I1 124.86(5) .
N2 Ce1 I1 93.09(5) 2_666
N5 Ce1 I1 145.99(5) 2_666
N4 Ce1 I1 94.40(5) 2_666
N1 Ce1 I1 115.65(5) 2_666
C14 Ce1 I1 120.05(5) 2_666
C1 Ce1 I1 103.34(5) 2_666
I1 Ce1 I1 79.124(8) 2_666
Ce1 I1 Ce1 100.876(8) 2_666
N3 Si1 C8 109.36(12) .
N3 Si1 C9 113.69(13) .
C8 Si1 C9 109.54(15) .
N3 Si1 C10 109.13(14) .
C8 Si1 C10 108.95(16) .
C9 Si1 C10 106.03(16) .
N3 Si2 C11 108.82(14) .
N3 Si2 C13 113.31(17) .
C11 Si2 C13 109.0(2) .
N3 Si2 C12 109.68(14) .
C11 Si2 C12 108.19(19) .
C13 Si2 C12 107.8(2) .
N6 Si3 C21 109.33(12) .
N6 Si3 C22 109.73(13) .
C21 Si3 C22 108.98(15) .
N6 Si3 C23 112.44(13) .
C21 Si3 C23 108.37(15) .
C22 Si3 C23 107.92(17) .
N6 Si4 C24 109.27(12) .
N6 Si4 C25 109.87(12) .
C24 Si4 C25 108.51(15) .
N6 Si4 C26 113.03(13) .
C24 Si4 C26 109.39(15) .
C25 Si4 C26 106.65(14) .
C1 N1 C2 121.8(2) .
C1 N1 Ce1 93.24(15) .
C2 N1 Ce1 143.10(17) .
C1 N2 C5 123.1(2) .
C1 N2 Ce1 97.12(15) .
C5 N2 Ce1 139.82(16) .
C1 N3 Si1 120.61(17) .
C1 N3 Si2 116.59(16) .
Si1 N3 Si2 122.80(12) .
C14 N4 C15 122.2(2) .
C14 N4 Ce1 93.88(15) .
C15 N4 Ce1 142.83(15) .
C14 N5 C18 122.8(2) .
C14 N5 Ce1 96.45(14) .
C18 N5 Ce1 140.70(16) .
C14 N6 Si4 118.64(16) .
C14 N6 Si3 117.64(16) .
Si4 N6 Si3 123.72(12) .
N1 C1 N2 114.5(2) .
N1 C1 N3 123.3(2) .
N2 C1 N3 122.1(2) .
N1 C1 Ce1 59.60(13) .
N2 C1 Ce1 55.74(12) .
N3 C1 Ce1 168.66(16) .
N1 C2 C4 109.3(2) .
N1 C2 C3 110.5(2) .
C4 C2 C3 110.4(3) .
N2 C5 C7 110.8(2) .
N2 C5 C6 109.2(2) .
C7 C5 C6 110.0(2) .
N4 C14 N5 114.7(2) .
N4 C14 N6 123.0(2) .
N5 C14 N6 122.2(2) .
N4 C14 Ce1 58.84(13) .
N5 C14 Ce1 56.22(12) .
N6 C14 Ce1 173.52(16) .
N4 C15 C17 110.0(2) .
N4 C15 C16 110.4(2) .
C17 C15 C16 109.1(2) .
N5 C18 C20 110.0(2) .
N5 C18 C19 109.2(2) .
C20 C18 C19 110.3(2) .
C27 C28 C29 113.3 .
C28 C29 C30 113.8 .
C31 C30 C29 113.3 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce1 N2 2.416(2) .
Ce1 N5 2.418(2) .
Ce1 N4 2.479(2) .
Ce1 N1 2.505(2) .
Ce1 C14 2.891(2) .
Ce1 C1 2.900(2) .
Ce1 I1 3.2643(4) .
Ce1 I1 3.2875(3) 2_666
I1 Ce1 3.2875(3) 2_666
Si1 N3 1.754(2) .
Si1 C8 1.857(3) .
Si1 C9 1.864(3) .
Si1 C10 1.866(3) .
Si2 N3 1.758(2) .
Si2 C11 1.858(4) .
Si2 C13 1.861(4) .
Si2 C12 1.867(4) .
Si3 N6 1.758(2) .
Si3 C21 1.856(3) .
Si3 C22 1.859(3) .
Si3 C23 1.870(3) .
Si4 N6 1.756(2) .
Si4 C24 1.856(3) .
Si4 C25 1.860(3) .
Si4 C26 1.864(3) .
N1 C1 1.326(3) .
N1 C2 1.463(3) .
N2 C1 1.333(3) .
N2 C5 1.455(3) .
N3 C1 1.433(3) .
N4 C14 1.328(3) .
N4 C15 1.462(3) .
N5 C14 1.336(3) .
N5 C18 1.460(3) .
N6 C14 1.431(3) .
C2 C4 1.515(4) .
C2 C3 1.522(4) .
C5 C7 1.526(4) .
C5 C6 1.529(4) .
C15 C17 1.521(4) .
C15 C16 1.522(4) .
C18 C20 1.526(4) .
C18 C19 1.528(4) .
C27 C28 1.5311 .
C28 C29 1.5331 .
C29 C30 1.5332 .
C30 C31 1.5311 .
