#------------------------------------------------------------------------------
#$Date: 2025-08-21 14:03:24 +0200 (Thu 21 de Aug de 2025) $
#$Revision: 301848 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/28/7022836.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_7022836
loop_
_publ_author_name
'Kissel, Alexander A.'
'Lyubov, Dmitry M.'
'Mahrova, Tatyana V.'
'Fukin, Georgy K.'
'Cherkasov, Anton V.'
'Glukhova, Tatyana A.'
'Cui, Dongmei'
'Trifonov, Alexander A.'
_publ_section_title
;
 Rare-earth dichloro and bis(alkyl) complexes supported by bulky
 amido-imino ligand. Synthesis, structure, reactivity and catalytic
 activity in isoprene polymerization.
;
_journal_issue                   25
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9211
_journal_page_last               9225
_journal_paper_doi               10.1039/c3dt33108c
_journal_volume                  42
_journal_year                    2013
_chemical_formula_sum            'C66 H106 N4 O2 Si2 Y2'
_chemical_formula_weight         1221.55
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 109.9730(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.8326(6)
_cell_length_b                   20.5123(10)
_cell_length_c                   13.8751(7)
_cell_measurement_reflns_used    900
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30
_cell_measurement_theta_min      2
_cell_volume                     3432.6(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_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      100(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0386
_diffrn_reflns_av_sigmaI/netI    0.0330
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            29248
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.85
_exptl_absorpt_coefficient_mu    1.759
_exptl_absorpt_correction_T_max  0.7542
_exptl_absorpt_correction_T_min  0.6577
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008a)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.17
_refine_diff_density_max         1.183
_refine_diff_density_min         -0.904
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     376
_refine_ls_number_reflns         6722
_refine_ls_number_restraints     73
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0687
_refine_ls_R_factor_gt           0.0465
_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)+(0.0702P)²+2.6979P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1160
_refine_ls_wR_factor_ref         0.1247
_reflns_number_gt                5146
_reflns_number_total             6722
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3dt33108c.txt
_cod_data_source_block           ydadsim
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7022836
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.523968(17) 0.013166(10) 0.881989(15) 0.02549(5) Uani 1 1 d . . .
Si1 Si 0.69438(6) 0.16207(3) 0.83136(5) 0.04057(18) Uani 1 1 d U . .
O1 O 0.40289(12) 0.03175(7) 0.96152(11) 0.0289(4) Uani 1 1 d . . .
N1 N 0.39282(16) -0.00067(9) 0.71688(14) 0.0314(5) Uani 1 1 d . E .
N2 N 0.58294(14) -0.06643(9) 0.78442(13) 0.0284(4) Uani 1 1 d . E .
C1 C 0.27848(19) 0.01976(11) 0.68281(17) 0.0321(6) Uani 1 1 d . . .
C2 C 0.1970(2) -0.02759(12) 0.67234(19) 0.0399(7) Uani 1 1 d . E .
C3 C 0.0872(2) -0.00813(14) 0.6420(2) 0.0522(8) Uani 1 1 d . . .
H3A H 0.0311 -0.0399 0.6345 0.063 Uiso 1 1 calc R E .
C4 C 0.0576(2) 0.05683(15) 0.6221(2) 0.0542(9) Uani 1 1 d . E .
H4A H -0.0182 0.0693 0.6007 0.065 Uiso 1 1 calc R . .
C5 C 0.1382(2) 0.10291(13) 0.6335(2) 0.0479(8) Uani 1 1 d . . .
H5A H 0.1176 0.1474 0.6202 0.058 Uiso 1 1 calc R E .
C6 C 0.2505(2) 0.08576(12) 0.66444(18) 0.0389(7) Uani 1 1 d . A .
C7 C 0.2249(2) -0.09887(13) 0.6976(2) 0.0478(8) Uani 1 1 d . . .
H7A H 0.3063 -0.1041 0.7119 0.057 Uiso 1 1 calc R E .
C8 C 0.2025(3) -0.11898(17) 0.7934(2) 0.0751(12) Uani 1 1 d . E .
H8A H 0.2443 -0.0907 0.8504 0.113 Uiso 1 1 calc R . .
H8B H 0.2257 -0.1643 0.8100 0.113 Uiso 1 1 calc R . .
H8C H 0.1231 -0.1149 0.7819 0.113 Uiso 1 1 calc R . .
C9 C 0.1656(3) -0.14390(15) 0.6091(2) 0.0706(11) Uani 1 1 d . E .
H9A H 0.1798 -0.1295 0.5473 0.106 Uiso 1 1 calc R . .
H9B H 0.0857 -0.1428 0.5966 0.106 Uiso 1 1 calc R . .
H9C H 0.1931 -0.1885 0.6262 0.106 Uiso 1 1 calc R . .
C10 C 0.3374(2) 0.13848(11) 0.67942(15) 0.0476(7) Uani 1 1 d D . .
H10A H 0.4115 0.1170 0.6964 0.057 Uiso 0.618(4) 1 calc PR A 1
H10B H 0.4105 0.1219 0.7261 0.057 Uiso 0.382(4) 1 d PR A 2
C11 C 0.3196(5) 0.1827(2) 0.5857(3) 0.0762(17) Uani 0.618(4) 1 d PD A 1
H11A H 0.2556 0.2112 0.5769 0.114 Uiso 0.618(4) 1 calc PR A 1
H11B H 0.3058 0.1558 0.5243 0.114 Uiso 0.618(4) 1 calc PR A 1
H11C H 0.3858 0.2095 0.5962 0.114 Uiso 0.618(4) 1 calc PR A 1
C12 C 0.3400(5) 0.1827(2) 0.7697(3) 0.0697(16) Uani 0.618(4) 1 d PD A 1
H12A H 0.3690 0.1581 0.8339 0.104 Uiso 0.618(4) 1 calc PR A 1
H12B H 0.2648 0.1978 0.7604 0.104 Uiso 0.618(4) 1 calc PR A 1
H12C H 0.3880 0.2203 0.7723 0.104 Uiso 0.618(4) 1 calc PR A 1
C11' C 0.3520(6) 0.1485(5) 0.5749(3) 0.0762(17) Uani 0.382(4) 1 d PD A 2
H11D H 0.3845 0.1092 0.5566 0.114 Uiso 0.382(4) 1 calc PR A 2
H11E H 0.4012 0.1857 0.5790 0.114 Uiso 0.382(4) 1 calc PR A 2
H11F H 0.2796 0.1570 0.5225 0.114 Uiso 0.382(4) 1 calc PR A 2
C12' C 0.3087(6) 0.2014(2) 0.7245(6) 0.0697(16) Uani 0.382(4) 1 d PD A 2
H12D H 0.2887 0.1909 0.7849 0.104 Uiso 0.382(4) 1 calc PR A 2
H12E H 0.2460 0.2229 0.6730 0.104 Uiso 0.382(4) 1 calc PR A 2
H12F H 0.3730 0.2306 0.7445 0.104 Uiso 0.382(4) 1 calc PR A 2
C13 C 0.4246(2) -0.03117(12) 0.64558(17) 0.0354(6) Uani 1 1 d . . .
C14 C 0.52658(18) -0.07130(11) 0.68499(16) 0.0312(6) Uani 1 1 d . E .
C15 C 0.3652(3) -0.02947(15) 0.53885(19) 0.0545(8) Uani 1 1 d . E .
H15A H 0.2980 -0.0056 0.5132 0.082 Uiso 0.50 1 calc PR B 1
H15B H 0.3927 -0.0522 0.4929 0.082 Uiso 0.50 1 calc PR B 1
H15C H 0.3006 -0.0009 0.5253 0.082 Uiso 0.50 1 calc PR B 2
H15D H 0.3406 -0.0736 0.5145 0.082 Uiso 0.50 1 calc PR B 2
H15E H 0.4135 -0.0127 0.5029 0.082 Uiso 0.50 1 calc PR B 2
C16 C 0.5524(2) -0.11562(14) 0.6159(2) 0.0486(8) Uani 1 1 d . . .
H16C H 0.6215 -0.1387 0.6525 0.073 Uiso 0.50 1 calc PR C 1
H16D H 0.5612 -0.0911 0.5585 0.073 Uiso 0.50 1 calc PR C 1
H16E H 0.4921 -0.1473 0.5897 0.073 Uiso 0.50 1 calc PR C 1
H16A H 0.6140 -0.1443 0.6409 0.073 Uiso 0.50 1 calc PR C 2
H16B H 0.5079 -0.1162 0.5454 0.073 Uiso 0.50 1 calc PR C 2
C17 C 0.67062(18) -0.11276(11) 0.83099(16) 0.0299(5) Uani 1 1 d . . .
C18 C 0.6432(2) -0.17019(11) 0.87005(17) 0.0345(6) Uani 1 1 d . D .
C19 C 0.7298(2) -0.21173(13) 0.92557(19) 0.0436(7) Uani 1 1 d . . .
H19A H 0.7128 -0.2510 0.9533 0.052 Uiso 1 1 calc R E .
C20 C 0.8374(2) -0.19695(14) 0.9406(2) 0.0492(8) Uani 1 1 d . E .
H20A H 0.8948 -0.2254 0.9794 0.059 Uiso 1 1 calc R . .
C21 C 0.8630(2) -0.14097(14) 0.8997(2) 0.0522(8) Uani 1 1 d . . .
H21A H 0.9384 -0.1315 0.9095 0.063 Uiso 1 1 calc R E .
C22 C 0.7805(2) -0.09742(13) 0.8437(2) 0.0478(7) Uani 1 1 d U E .
C23 C 0.5242(2) -0.18888(11) 0.85260(16) 0.0549(8) Uani 1 1 d D . .
H23A H 0.4855 -0.1463 0.8309 0.066 Uiso 0.552(6) 1 calc PR D 1
H23B H 0.4768 -0.1513 0.8174 0.066 Uiso 0.448(6) 1 d PR D 2
C24 C 0.4651(5) -0.2315(3) 0.7613(3) 0.0656(12) Uani 0.552(6) 1 d PDU D 1
H24A H 0.3875 -0.2368 0.7560 0.098 Uiso 0.552(6) 1 calc PR D 1
H24B H 0.5011 -0.2743 0.7701 0.098 Uiso 0.552(6) 1 calc PR D 1
H24C H 0.4685 -0.2110 0.6986 0.098 Uiso 0.552(6) 1 calc PR D 1
C25 C 0.4923(4) -0.2052(3) 0.9463(3) 0.0550(10) Uani 0.552(6) 1 d PDU D 1
H25A H 0.5093 -0.1680 0.9934 0.083 Uiso 0.552(6) 1 calc PR D 1
H25B H 0.5343 -0.2434 0.9812 0.083 Uiso 0.552(6) 1 calc PR D 1
H25C H 0.4127 -0.2147 0.9244 0.083 Uiso 0.552(6) 1 calc PR D 1
C24' C 0.5033(6) -0.2509(2) 0.7839(5) 0.0656(12) Uani 0.448(6) 1 d PDU D 2
H24D H 0.5220 -0.2417 0.7224 0.098 Uiso 0.448(6) 1 calc PR D 2
H24E H 0.4250 -0.2633 0.7637 0.098 Uiso 0.448(6) 1 calc PR D 2
H24F H 0.5497 -0.2867 0.8222 0.098 Uiso 0.448(6) 1 calc PR D 2
C25' C 0.5178(5) -0.2169(3) 0.9530(3) 0.0550(10) Uani 0.448(6) 1 d PDU D 2
H25D H 0.5478 -0.1851 1.0083 0.083 Uiso 0.448(6) 1 calc PR D 2
H25E H 0.5612 -0.2572 0.9701 0.083 Uiso 0.448(6) 1 calc PR D 2
H25F H 0.4403 -0.2262 0.9447 0.083 Uiso 0.448(6) 1 calc PR D 2
C26 C 0.8103(2) -0.03810(17) 0.7932(3) 0.0727(5) Uani 1 1 d U . .
H26A H 0.7456 -0.0076 0.7740 0.087 Uiso 1 1 calc R E .
C27 C 0.9090(4) -0.0020(2) 0.8606(4) 0.0970(6) Uani 1 1 d U E .
H27A H 0.8961 0.0116 0.9233 0.145 Uiso 1 1 calc R . .
H27B H 0.9215 0.0366 0.8244 0.145 Uiso 1 1 calc R . .
H27C H 0.9743 -0.0304 0.8784 0.145 Uiso 1 1 calc R . .
C28 C 0.8313(4) -0.0574(2) 0.6947(3) 0.0992(6) Uani 1 1 d U E .
H28A H 0.8459 -0.0182 0.6611 0.149 Uiso 1 1 calc R . .
H28B H 0.7659 -0.0798 0.6484 0.149 Uiso 1 1 calc R . .
H28C H 0.8956 -0.0866 0.7117 0.149 Uiso 1 1 calc R . .
C29 C 0.6640(5) 0.0989(3) 0.9064(4) 0.0485(11) Uani 0.50 1 d PU E 1
H29A H 0.6598 0.1228 0.9670 0.058 Uiso 0.50 1 calc PR E 1
H29B H 0.7346 0.0743 0.9317 0.058 Uiso 0.50 1 calc PR E 1
C29' C 0.6262(5) 0.1070(3) 0.8992(5) 0.0485(11) Uani 0.50 1 d PU E 2
H29C H 0.5793 0.1383 0.9201 0.058 Uiso 0.50 1 calc PR E 2
H29D H 0.6888 0.0977 0.9631 0.058 Uiso 0.50 1 calc PR E 2
C30 C 0.6748(3) 0.13109(15) 0.6993(2) 0.0586(9) Uani 1 1 d . E .
H30A H 0.5957 0.1240 0.6622 0.088 Uiso 1 1 calc R . .
H30B H 0.7148 0.0898 0.7042 0.088 Uiso 1 1 calc R . .
H30C H 0.7037 0.1632 0.6625 0.088 Uiso 1 1 calc R . .
C31 C 0.6256(3) 0.24279(17) 0.8178(3) 0.0751(11) Uani 1 1 d . E .
H31A H 0.5491 0.2392 0.7702 0.113 Uiso 1 1 calc R . .
H31B H 0.6661 0.2744 0.7911 0.113 Uiso 1 1 calc R . .
H31C H 0.6251 0.2574 0.8849 0.113 Uiso 1 1 calc R . .
C32 C 0.8457(3) 0.18264(19) 0.8935(3) 0.0721(6) Uani 1 1 d U E .
H32A H 0.8571 0.2050 0.9587 0.108 Uiso 1 1 calc R . .
H32B H 0.8690 0.2112 0.8480 0.108 Uiso 1 1 calc R . .
H32C H 0.8896 0.1425 0.9061 0.108 Uiso 1 1 calc R . .
C33 C 0.28865(18) 0.05086(13) 0.93047(18) 0.0355(6) Uani 1 1 d . . .
H33A H 0.2538 0.0304 0.9757 0.053 Uiso 1 1 calc R E .
H33B H 0.2503 0.0368 0.8596 0.053 Uiso 1 1 calc R . .
H33C H 0.2838 0.0984 0.9349 0.053 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'
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
O1 Y1 O1 73.92(6) . 3_657
O1 Y1 C29' 106.04(19) . .
O1 Y1 C29' 102.01(15) 3_657 .
O1 Y1 N1 96.62(6) . .
O1 Y1 N1 144.64(6) 3_657 .
C29' Y1 N1 113.32(15) . .
O1 Y1 N2 143.50(6) . .
O1 Y1 N2 99.08(6) 3_657 .
C29' Y1 N2 110.45(19) . .
N1 Y1 N2 68.12(6) . .
O1 Y1 C29 114.30(16) . .
O1 Y1 C29 96.65(13) 3_657 .
C29' Y1 C29 11.2(2) . .
N1 Y1 C29 117.89(14) . .
N2 Y1 C29 102.00(17) . .
O1 Y1 Y1 37.18(4) . 3_657
O1 Y1 Y1 36.74(4) 3_657 3_657
C29' Y1 Y1 107.63(17) . 3_657
N1 Y1 Y1 125.78(5) . 3_657
N2 Y1 Y1 126.85(4) . 3_657
C29 Y1 Y1 109.21(14) . 3_657
C29 Si1 C31 121.0(3) . .
C29 Si1 C29' 15.2(3) . .
C31 Si1 C29' 107.6(3) . .
C29 Si1 C30 109.9(2) . .
C31 Si1 C30 107.66(14) . .
C29' Si1 C30 111.0(2) . .
C29 Si1 C32 106.9(2) . .
C31 Si1 C32 103.12(17) . .
C29' Si1 C32 119.5(2) . .
C30 Si1 C32 107.26(17) . .
C33 O1 Y1 135.50(13) . .
C33 O1 Y1 116.68(14) . 3_657
Y1 O1 Y1 106.08(6) . 3_657
C13 N1 C1 115.07(18) . .
C13 N1 Y1 118.48(15) . .
C1 N1 Y1 126.45(15) . .
C14 N2 C17 118.73(19) . .
C14 N2 Y1 118.24(14) . .
C17 N2 Y1 122.81(13) . .
C2 C1 C6 121.1(2) . .
C2 C1 N1 118.3(2) . .
C6 C1 N1 120.6(2) . .
C3 C2 C1 118.6(2) . .
C3 C2 C7 118.9(3) . .
C1 C2 C7 122.5(2) . .
C2 C3 C4 121.2(3) . .
C5 C4 C3 119.7(3) . .
C4 C5 C6 121.3(3) . .
C5 C6 C1 118.1(2) . .
C5 C6 C10 119.6(2) . .
C1 C6 C10 122.3(2) . .
C8 C7 C9 110.7(3) . .
C8 C7 C2 111.5(3) . .
C9 C7 C2 112.7(2) . .
C6 C10 C12' 112.8(4) . .
C6 C10 C12 110.0(3) . .
C12' C10 C12 27.4(3) . .
C6 C10 C11 114.5(3) . .
C12' C10 C11 82.0(4) . .
C12 C10 C11 107.2(3) . .
C6 C10 C11' 106.7(4) . .
C12' C10 C11' 113.3(5) . .
C12 C10 C11' 135.5(5) . .
C11 C10 C11' 32.3(4) . .
N1 C13 C15 124.6(2) . .
N1 C13 C14 115.93(19) . .
C15 C13 C14 119.4(2) . .
N2 C14 C16 125.0(2) . .
N2 C14 C13 116.2(2) . .
C16 C14 C13 118.68(19) . .
C18 C17 C22 121.4(2) . .
C18 C17 N2 117.9(2) . .
C22 C17 N2 120.4(2) . .
C17 C18 C19 118.0(2) . .
C17 C18 C23 121.9(2) . .
C19 C18 C23 120.1(2) . .
C20 C19 C18 121.4(3) . .
C19 C20 C21 119.9(2) . .
C20 C21 C22 121.4(3) . .
C17 C22 C21 117.8(3) . .
C17 C22 C26 121.7(2) . .
C21 C22 C26 120.4(3) . .
C18 C23 C24 118.1(3) . .
C18 C23 C25 118.0(2) . .
C24 C23 C25 112.5(3) . .
C18 C23 C25' 108.3(3) . .
C24 C23 C25' 112.1(4) . .
C25 C23 C25' 14.6(4) . .
C18 C23 C24' 105.0(4) . .
C24 C23 C24' 23.5(3) . .
C25 C23 C24' 107.6(4) . .
C25' C23 C24' 101.5(4) . .
C27 C26 C22 113.8(3) . .
C27 C26 C28 108.5(3) . .
C22 C26 C28 110.7(3) . .
Si1 C29 Y1 137.3(3) . .
Si1 C29' Y1 143.5(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 O1 2.2246(16) .
Y1 O1 2.2476(14) 3_657
Y1 C29' 2.296(7) .
Y1 N1 2.3510(18) .
Y1 N2 2.4022(19) .
Y1 C29 2.454(6) .
Y1 Y1 3.5737(5) 3_657
Si1 C29 1.787(6) .
Si1 C31 1.856(3) .
Si1 C29' 1.868(7) .
Si1 C30 1.873(3) .
Si1 C32 1.883(3) .
O1 C33 1.434(3) .
O1 Y1 2.2477(14) 3_657
N1 C13 1.346(3) .
N1 C1 1.442(3) .
N2 C14 1.325(3) .
N2 C17 1.446(3) .
C1 C2 1.398(4) .
C1 C6 1.401(3) .
C2 C3 1.384(4) .
C2 C7 1.518(4) .
C3 C4 1.387(4) .
C4 C5 1.370(4) .
C5 C6 1.401(4) .
C6 C10 1.516(4) .
C7 C8 1.509(5) .
C7 C9 1.517(4) .
C10 C12' 1.533(4) .
C10 C12 1.537(4) .
C10 C11 1.538(4) .
C10 C11' 1.538(4) .
C13 C15 1.415(3) .
C13 C14 1.484(3) .
C14 C16 1.439(4) .
C17 C18 1.391(3) .
C17 C22 1.395(4) .
C18 C19 1.403(3) .
C18 C23 1.511(3) .
C19 C20 1.359(4) .
C20 C21 1.369(4) .
C21 C22 1.400(4) .
C22 C26 1.517(5) .
C23 C24 1.512(4) .
C23 C25 1.528(4) .
C23 C25' 1.535(4) .
C23 C24' 1.557(4) .
C26 C27 1.489(5) .
C26 C28 1.533(6) .
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 PubChem 139160225
