#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:09:44 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178803 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/57/4105787.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_4105787
loop_
_publ_author_name
'Ming Fang'
'David S. Lee'
'Joseph W. Ziller'
'Robert J. Doedens'
'Jefferson E. Bates'
'Filipp Furche'
'William J. Evans'
_publ_section_title
;
 Synthesis of the (N2)3- Radical from Y2+ and Its Protonolysis Reactivity
 To Form (N2H2)2- via the Y[N(SiMe3)2]3/KC8 Reduction System
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              3784
_journal_page_last               3787
_journal_paper_doi               10.1021/ja1116827
_journal_volume                  133
_journal_year                    2011
_chemical_formula_sum            'C39 H98 N6 O2 Si8 Y2'
_chemical_formula_weight         1085.77
_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           SHELXTL
_cell_angle_alpha                102.2540(10)
_cell_angle_beta                 110.1450(10)
_cell_angle_gamma                110.1390(10)
_cell_formula_units_Z            1
_cell_length_a                   11.6254(12)
_cell_length_b                   12.3668(12)
_cell_length_c                   12.9283(13)
_cell_measurement_reflns_used    8752
_cell_measurement_temperature    153(2)
_cell_measurement_theta_max      27.84
_cell_measurement_theta_min      2.60
_cell_volume                     1518.5(3)
_computing_cell_refinement       'Bruker SMART APEX2/SAINT'
_computing_data_collection       'Bruker SMART APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      153(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Bruker SMART APEX II CCD'
_diffrn_measurement_method       'phi and omega'
_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  0.0262
_diffrn_reflns_av_sigmaI/netI    0.0346
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            16037
_diffrn_reflns_theta_full        26.37
_diffrn_reflns_theta_max         26.37
_diffrn_reflns_theta_min         1.81
_exptl_absorpt_coefficient_mu    2.092
_exptl_absorpt_correction_T_max  0.7174
_exptl_absorpt_correction_T_min  0.5541
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.187
_exptl_crystal_density_meas      ?
_exptl_crystal_description       irregular
_exptl_crystal_F_000             580
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.711
_refine_diff_density_min         -0.427
_refine_diff_density_rms         0.075
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     270
_refine_ls_number_reflns         6173
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0584
_refine_ls_R_factor_gt           0.0423
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0631P)²+1.3439P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1077
_refine_ls_wR_factor_ref         0.1169
_reflns_number_gt                5046
_reflns_number_total             6173
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja1116827_si_002.cif
_cod_data_source_block           mf7
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_database_code               4105787
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
Y1 Y 0.53974(3) 0.57210(3) 0.18005(2) 0.03058(11) Uani 1 1 d . . .
Si1 Si 0.71278(10) 0.43101(9) 0.31858(9) 0.0421(2) Uani 1 1 d . . .
Si2 Si 0.88427(9) 0.68838(10) 0.33580(8) 0.0384(2) Uani 1 1 d . . .
Si3 Si 0.56843(10) 0.79132(9) 0.41675(9) 0.0391(2) Uani 1 1 d . . .
Si4 Si 0.4412(9) 0.8040(9) 0.1745(7) 0.0419(15) Uani 0.50 1 d P A 1
Si4B Si 0.4756(9) 0.8185(11) 0.1839(9) 0.0499(19) Uani 0.50 1 d P A 2
N1 N 0.5115(5) 0.5736(4) 0.0025(4) 0.0262(10) Uani 0.50 1 d P . .
N2 N 0.4002(5) 0.4488(4) -0.0193(4) 0.0275(11) Uani 0.50 1 d P . .
N3 N 0.7302(3) 0.5618(2) 0.2875(2) 0.0321(6) Uani 1 1 d . B .
N4 N 0.5226(3) 0.7415(3) 0.2681(3) 0.0397(7) Uani 1 1 d . A .
C1 C 0.7929(4) 0.4606(4) 0.4804(3) 0.0571(11) Uani 1 1 d . B .
H1A H 0.8926 0.5116 0.5152 0.086 Uiso 1 1 calc R . .
H1B H 0.7736 0.3813 0.4913 0.086 Uiso 1 1 calc R . .
H1C H 0.7544 0.5046 0.5198 0.086 Uiso 1 1 calc R . .
C2 C 0.5253(4) 0.3260(4) 0.2583(4) 0.0616(12) Uani 1 1 d . B .
H2A H 0.4858 0.3667 0.2994 0.092 Uiso 1 1 calc R . .
H2B H 0.5135 0.2483 0.2710 0.092 Uiso 1 1 calc R . .
H2C H 0.4784 0.3079 0.1730 0.092 Uiso 1 1 calc R . .
C3 C 0.7865(6) 0.3399(5) 0.2507(4) 0.0785(16) Uani 1 1 d . B .
H3A H 0.7476 0.3215 0.1650 0.118 Uiso 1 1 calc R . .
H3B H 0.7636 0.2619 0.2644 0.118 Uiso 1 1 calc R . .
H3C H 0.8867 0.3887 0.2873 0.118 Uiso 1 1 calc R . .
C4 C 0.8531(4) 0.8068(3) 0.2768(3) 0.0440(8) Uani 1 1 d . B .
H4A H 0.8085 0.7713 0.1897 0.066 Uiso 1 1 calc R . .
H4B H 0.9410 0.8801 0.3059 0.066 Uiso 1 1 calc R . .
H4C H 0.7934 0.8310 0.3038 0.066 Uiso 1 1 calc R . .
C5 C 0.9827(4) 0.7676(4) 0.5018(3) 0.0572(11) Uani 1 1 d . B .
H5A H 0.9211 0.7797 0.5340 0.086 Uiso 1 1 calc R . .
H5B H 1.0583 0.8484 0.5230 0.086 Uiso 1 1 calc R . .
H5C H 1.0201 0.7160 0.5352 0.086 Uiso 1 1 calc R . .
C6 C 1.0021(4) 0.6500(5) 0.2823(4) 0.0626(12) Uani 1 1 d . B .
H6A H 1.0353 0.6004 0.3230 0.094 Uiso 1 1 calc R . .
H6B H 1.0806 0.7271 0.2997 0.094 Uiso 1 1 calc R . .
H6C H 0.9518 0.6024 0.1964 0.094 Uiso 1 1 calc R . .
C7 C 0.6017(4) 0.6744(4) 0.4783(4) 0.0536(10) Uani 1 1 d . B .
H7A H 0.5156 0.5977 0.4438 0.080 Uiso 1 1 calc R . .
H7B H 0.6381 0.7081 0.5649 0.080 Uiso 1 1 calc R . .
H7C H 0.6689 0.6564 0.4583 0.080 Uiso 1 1 calc R . .
C8 C 0.4337(4) 0.8131(4) 0.4551(4) 0.0571(11) Uani 1 1 d . B .
H8A H 0.4265 0.8860 0.4414 0.086 Uiso 1 1 calc R . .
H8B H 0.4597 0.8255 0.5389 0.086 Uiso 1 1 calc R . .
H8C H 0.3448 0.7392 0.4050 0.086 Uiso 1 1 calc R . .
C9 C 0.7300(4) 0.9419(3) 0.5078(4) 0.0507(9) Uani 1 1 d . B .
H9A H 0.8062 0.9331 0.4971 0.076 Uiso 1 1 calc R . .
H9B H 0.7514 0.9636 0.5919 0.076 Uiso 1 1 calc R . .
H9C H 0.7169 1.0076 0.4821 0.076 Uiso 1 1 calc R . .
C10 C 0.2687(9) 0.6852(8) 0.0474(8) 0.057(2) Uiso 0.50 1 d P A 1
H10A H 0.2801 0.6206 -0.0006 0.085 Uiso 0.50 1 calc PR A 1
H10B H 0.2298 0.7258 -0.0021 0.085 Uiso 0.50 1 calc PR A 1
H10C H 0.2064 0.6474 0.0790 0.085 Uiso 0.50 1 calc PR A 1
C11 C 0.5562(10) 0.8806(9) 0.1097(9) 0.064(2) Uiso 0.50 1 d P A 1
H11A H 0.6425 0.9495 0.1741 0.096 Uiso 0.50 1 calc PR A 1
H11B H 0.5092 0.9125 0.0546 0.096 Uiso 0.50 1 calc PR A 1
H11C H 0.5760 0.8194 0.0671 0.096 Uiso 0.50 1 calc PR A 1
C12 C 0.3981(14) 0.9232(12) 0.2426(12) 0.102(4) Uiso 0.50 1 d P A 1
H12A H 0.3350 0.8869 0.2740 0.153 Uiso 0.50 1 calc PR A 1
H12B H 0.3541 0.9517 0.1822 0.153 Uiso 0.50 1 calc PR A 1
H12C H 0.4825 0.9938 0.3074 0.153 Uiso 0.50 1 calc PR A 1
C10B C 0.2846(12) 0.7701(12) 0.1353(11) 0.091(3) Uiso 0.50 1 d P A 2
H10D H 0.2349 0.6798 0.1112 0.136 Uiso 0.50 1 calc PR A 2
H10E H 0.2480 0.7937 0.0681 0.136 Uiso 0.50 1 calc PR A 2
H10F H 0.2730 0.8118 0.2016 0.136 Uiso 0.50 1 calc PR A 2
C11B C 0.4825(11) 0.7590(10) 0.0449(9) 0.072(3) Uiso 0.50 1 d P A 2
H11D H 0.5742 0.8077 0.0535 0.108 Uiso 0.50 1 calc PR A 2
H11E H 0.4136 0.7657 -0.0197 0.108 Uiso 0.50 1 calc PR A 2
H11F H 0.4632 0.6717 0.0264 0.108 Uiso 0.50 1 calc PR A 2
C12B C 0.5661(10) 0.9880(8) 0.2452(8) 0.063(2) Uiso 0.50 1 d P A 2
H12D H 0.5450 1.0202 0.3087 0.095 Uiso 0.50 1 calc PR A 2
H12E H 0.5365 1.0192 0.1823 0.095 Uiso 0.50 1 calc PR A 2
H12F H 0.6655 1.0157 0.2775 0.095 Uiso 0.50 1 calc PR A 2
O1 O 0.3213(4) 0.4616(4) 0.1414(4) 0.0327(11) Uiso 0.50 1 d PD B 1
C13 C 0.2515(11) 0.4881(11) 0.2123(10) 0.071(4) Uiso 0.50 1 d PD B 1
H13A H 0.2688 0.5759 0.2333 0.085 Uiso 0.50 1 calc PR B 1
H13B H 0.2864 0.4733 0.2867 0.085 Uiso 0.50 1 calc PR B 1
C14 C 0.1001(12) 0.4031(13) 0.1382(11) 0.094(4) Uiso 0.50 1 d PD B 1
H14A H 0.0680 0.3426 0.1737 0.112 Uiso 0.50 1 calc PR B 1
H14B H 0.0473 0.4515 0.1329 0.112 Uiso 0.50 1 calc PR B 1
C15 C 0.0826(9) 0.3433(10) 0.0286(8) 0.061(3) Uiso 0.50 1 d PD B 1
H15A H 0.0391 0.3767 -0.0281 0.073 Uiso 0.50 1 calc PR B 1
H15B H 0.0202 0.2537 0.0007 0.073 Uiso 0.50 1 calc PR B 1
C16 C 0.2162(7) 0.3589(7) 0.0307(7) 0.0493(18) Uiso 0.50 1 d PD B 1
H16A H 0.2262 0.2822 0.0282 0.059 Uiso 0.50 1 calc PR B 1
H16B H 0.2228 0.3783 -0.0381 0.059 Uiso 0.50 1 calc PR B 1
O1B O 0.3192(4) 0.4366(4) 0.1771(4) 0.0300(10) Uiso 0.50 1 d PD B 2
C13B C 0.2560(8) 0.4704(8) 0.2387(8) 0.040(2) Uiso 0.50 1 d PD B 2
H13C H 0.2648 0.5543 0.2449 0.048 Uiso 0.50 1 calc PR B 2
H13D H 0.2951 0.4700 0.3197 0.048 Uiso 0.50 1 calc PR B 2
C14B C 0.1109(8) 0.3754(8) 0.1683(7) 0.0454(19) Uiso 0.50 1 d PD B 2
H14C H 0.0896 0.3164 0.2081 0.055 Uiso 0.50 1 calc PR B 2
H14D H 0.0500 0.4157 0.1628 0.055 Uiso 0.50 1 calc PR B 2
C15B C 0.0860(7) 0.3081(7) 0.0490(6) 0.0395(18) Uiso 0.50 1 d PD B 2
H15C H 0.0730 0.3541 -0.0045 0.047 Uiso 0.50 1 calc PR B 2
H15D H 0.0089 0.2230 0.0115 0.047 Uiso 0.50 1 calc PR B 2
C16B C 0.2241(6) 0.3103(6) 0.0924(6) 0.0369(14) Uiso 0.50 1 d PD B 2
H16C H 0.2267 0.2498 0.1313 0.044 Uiso 0.50 1 calc PR B 2
H16D H 0.2468 0.2904 0.0259 0.044 Uiso 0.50 1 calc PR B 2
C17 C 0.1695(15) 0.0200(13) 0.0280(14) 0.1060(14) Uiso 0.50 1 d PD . .
C18 C 0.1656(15) 0.0393(11) 0.1338(14) 0.1060(14) Uiso 0.50 1 d PD . .
C19 C 0.0600(15) 0.0390(12) 0.1492(14) 0.1060(14) Uiso 0.50 1 d PD . .
C20 C -0.0574(8) 0.0124(7) 0.0627(7) 0.1060(14) Uiso 1 1 d D . .
C21 C -0.0638(16) -0.0044(14) -0.0623(14) 0.1060(14) Uiso 0.50 1 d PD . .
C22 C -0.1651(15) 0.0271(13) 0.0763(13) 0.1060(14) Uiso 0.50 1 d PD . .
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'
Y Y -2.7962 3.5667 '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
N1 Y1 N3 115.26(15) . .
N1 Y1 O1 100.61(18) . .
N3 Y1 O1 130.13(15) . .
N1 Y1 N4 104.81(15) . .
N3 Y1 N4 114.34(10) . .
O1 Y1 N4 86.33(14) . .
N1 Y1 N2 39.30(16) . .
N3 Y1 N2 122.33(14) . .
O1 Y1 N2 67.86(17) . .
N4 Y1 N2 121.78(15) . .
N1 Y1 N1 44.1(2) . 2_665
N3 Y1 N1 95.05(14) . 2_665
O1 Y1 N1 87.25(16) . 2_665
N4 Y1 N1 146.04(14) . 2_665
N2 Y1 N1 27.48(16) . 2_665
N1 Y1 N2 27.62(16) . 2_665
N3 Y1 N2 87.97(14) . 2_665
O1 Y1 N2 118.99(17) . 2_665
N4 Y1 N2 123.34(14) . 2_665
N2 Y1 N2 51.1(2) . 2_665
N1 Y1 N2 37.17(16) 2_665 2_665
N1 Y1 O1B 112.43(16) . .
N3 Y1 O1B 117.55(13) . .
O1 Y1 O1B 13.15(14) . .
N4 Y1 O1B 88.86(12) . .
N2 Y1 O1B 77.05(16) . .
N1 Y1 O1B 92.33(15) 2_665 .
N2 Y1 O1B 127.38(15) 2_665 .
N3 Si1 C1 114.21(16) . .
N3 Si1 C2 108.51(16) . .
C1 Si1 C2 106.4(2) . .
N3 Si1 C3 114.0(2) . .
C1 Si1 C3 106.0(2) . .
C2 Si1 C3 107.2(2) . .
N3 Si1 Y1 35.34(8) . .
C1 Si1 Y1 127.94(15) . .
C2 Si1 Y1 73.24(13) . .
C3 Si1 Y1 124.23(15) . .
N3 Si2 C4 109.43(14) . .
N3 Si2 C5 113.66(16) . .
C4 Si2 C5 106.75(19) . .
N3 Si2 C6 112.97(19) . .
C4 Si2 C6 106.53(18) . .
C5 Si2 C6 107.1(2) . .
N3 Si2 Y1 36.11(9) . .
C4 Si2 Y1 73.36(11) . .
C5 Si2 Y1 124.26(14) . .
C6 Si2 Y1 126.77(15) . .
N4 Si3 C9 113.86(17) . .
N4 Si3 C7 110.23(16) . .
C9 Si3 C7 105.9(2) . .
N4 Si3 C8 114.58(18) . .
C9 Si3 C8 106.04(18) . .
C7 Si3 C8 105.5(2) . .
N4 Si4 C12 116.9(6) . .
N4 Si4 C10 113.7(6) . .
C12 Si4 C10 102.0(7) . .
N4 Si4 C11 109.2(6) . .
C12 Si4 C11 106.2(7) . .
C10 Si4 C11 108.2(5) . .
N4 Si4 Y1 36.0(2) . .
C12 Si4 Y1 151.7(5) . .
C10 Si4 Y1 89.0(4) . .
C11 Si4 Y1 94.6(4) . .
N4 Si4B C12B 119.0(6) . .
N4 Si4B C11B 107.8(7) . .
C12B Si4B C11B 109.6(7) . .
N4 Si4B C10B 107.9(7) . .
C12B Si4B C10B 107.6(7) . .
C11B Si4B C10B 103.8(7) . .
N4 Si4B Y1 36.9(3) . .
C12B Si4B Y1 140.2(5) . .
C11B Si4B Y1 71.5(5) . .
C10B Si4B Y1 110.6(6) . .
N2 N1 N2 99.8(4) 2_665 .
N2 N1 N1 60.3(4) 2_665 2_665
N2 N1 N1 39.5(3) . 2_665
N2 N1 Y1 85.8(4) 2_665 .
N2 N1 Y1 74.0(3) . .
N1 N1 Y1 73.2(3) 2_665 .
N2 N1 Y1 72.9(3) 2_665 2_665
N2 N1 Y1 72.2(3) . 2_665
N1 N1 Y1 62.7(3) 2_665 2_665
Y1 N1 Y1 135.9(2) . 2_665
N1 N2 N1 80.2(4) 2_665 .
N1 N2 Y1 79.6(4) 2_665 .
N1 N2 Y1 66.7(2) . .
N1 N2 Y1 66.5(3) 2_665 2_665
N1 N2 Y1 70.6(3) . 2_665
Y1 N2 Y1 128.9(2) . 2_665
Si1 N3 Si2 124.53(15) . .
Si1 N3 Y1 118.40(13) . .
Si2 N3 Y1 117.05(14) . .
Si4B N4 Si3 122.7(4) . .
Si4B N4 Si4 11.0(6) . .
Si3 N4 Si4 122.4(3) . .
Si4B N4 Y1 117.0(4) . .
Si3 N4 Y1 120.14(15) . .
Si4 N4 Y1 117.0(3) . .
C16 O1 C13 106.8(6) . .
C16 O1 Y1 124.8(4) . .
C13 O1 Y1 127.8(5) . .
O1 C13 C14 107.6(8) . .
C15 C14 C13 106.4(9) . .
C14 C15 C16 111.3(8) . .
O1 C16 C15 105.6(6) . .
C13B O1B C16B 106.6(5) . .
C13B O1B Y1 127.7(4) . .
C16B O1B Y1 125.0(4) . .
O1B C13B C14B 103.9(6) . .
C15B C14B C13B 110.0(6) . .
C14B C15B C16B 93.3(6) . .
O1B C16B C15B 104.6(5) . .
C20 C17 C22 64.5(10) 2 2
C20 C17 C18 116.4(13) 2 .
C22 C17 C18 165.9(13) 2 .
C20 C17 C21 70.7(10) 2 2
C22 C17 C21 131.3(15) 2 2
C18 C17 C21 45.9(9) . 2
C21 C18 C19 55.8(12) 2 .
C21 C18 C17 69.8(14) 2 .
C19 C18 C17 124.3(15) . .
C21 C19 C20 72.3(12) 2 .
C21 C19 C18 51.9(11) 2 .
C20 C19 C18 123.6(15) . .
C17 C20 C19 174.7(12) 2 .
C17 C20 C22 59.6(9) 2 .
C19 C20 C22 125.5(11) . .
C17 C20 C21 126.6(11) 2 2
C19 C20 C21 48.4(8) . 2
C22 C20 C21 173.8(11) . 2
C17 C20 C21 58.8(9) 2 .
C19 C20 C21 116.9(11) . .
C22 C20 C21 115.6(10) . .
C21 C20 C21 69.9(11) 2 .
C18 C21 C19 72.3(14) 2 2
C18 C21 C17 64.4(13) 2 2
C19 C21 C17 135.1(17) 2 2
C18 C21 C20 130.9(17) 2 2
C19 C21 C20 59.3(11) 2 2
C17 C21 C20 156.4(14) 2 2
C18 C21 C20 114.7(16) 2 .
C19 C21 C20 163.2(15) 2 .
C17 C21 C20 50.5(8) 2 .
C20 C21 C20 110.1(11) 2 .
C18 C21 C21 158.1(19) 2 2
C19 C21 C21 115.8(18) 2 2
C17 C21 C21 101.2(15) 2 2
C20 C21 C21 58.0(9) 2 2
C20 C21 C21 52.0(9) . 2
C17 C22 C20 56.0(9) 2 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 N1 2.209(5) .
Y1 N3 2.236(2) .
Y1 O1 2.239(5) .
Y1 N4 2.270(3) .
Y1 N2 2.313(5) .
Y1 N1 2.379(5) 2_665
Y1 N2 2.402(5) 2_665
Y1 O1B 2.515(5) .
Si1 N3 1.710(3) .
Si1 C1 1.865(4) .
Si1 C2 1.869(4) .
Si1 C3 1.881(5) .
Si2 N3 1.713(3) .
Si2 C4 1.873(4) .
Si2 C5 1.876(4) .
Si2 C6 1.881(4) .
Si3 N4 1.710(3) .
Si3 C9 1.876(4) .
Si3 C7 1.881(4) .
Si3 C8 1.881(4) .
Si4 N4 1.751(8) .
Si4 C12 1.860(16) .
Si4 C10 1.886(12) .
Si4 C11 1.903(12) .
Si4B N4 1.667(11) .
Si4B C12B 1.825(14) .
Si4B C11B 1.832(14) .
Si4B C10B 1.910(14) .
N1 N2 1.116(7) 2_665
N1 N2 1.524(6) .
N1 N1 1.730(10) 2_665
N1 Y1 2.379(5) 2_665
N2 N1 1.116(7) 2_665
N2 Y1 2.402(5) 2_665
O1 C16 1.452(8) .
O1 C13 1.474(10) .
C13 C14 1.503(12) .
C14 C15 1.360(12) .
C15 C16 1.487(10) .
O1B C13B 1.351(8) .
O1B C16B 1.453(7) .
C13B C14B 1.475(9) .
C14B C15B 1.461(9) .
C15B C16B 1.496(9) .
C17 C20 1.274(15) 2
C17 C22 1.326(19) 2
C17 C18 1.357(19) .
C17 C21 1.41(2) 2
C18 C21 1.081(18) 2
C18 C19 1.309(19) .
C19 C21 1.136(18) 2
C19 C20 1.305(15) .
C20 C17 1.274(15) 2
C20 C22 1.388(15) .
C20 C21 1.447(16) 2
C20 C21 1.557(16) .
C21 C18 1.081(18) 2
C21 C19 1.136(18) 2
C21 C17 1.41(2) 2
C21 C20 1.447(16) 2
C21 C21 1.72(3) 2
C22 C17 1.326(19) 2
