#------------------------------------------------------------------------------
#$Date: 2016-02-16 02:10:39 +0100 (mar 16 de feb de 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/51/7015139.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_7015139
loop_
_publ_author_name
'Luo, Yunjie'
'Fan, Shimin'
'Yang, Jianping'
'Fang, Jianghua'
'Xu, Ping'
_publ_section_title
;
 Rare earth metal bis(amide) complexes bearing amidinate ancillary
 ligands: synthesis, characterization, and performance as catalyst
 precursors for cis-1,4 selective polymerization of isoprene.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3053
_journal_page_last               3059
_journal_paper_doi               10.1039/c0dt01241f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C35 H59 N4 Si4 Y, 0.5(C7 H8)'
_chemical_formula_sum            'C38.5 H63 N4 Si4 Y'
_chemical_formula_weight         783.20
_chemical_name_systematic
;
?
;
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                105.451(6)
_cell_angle_beta                 109.870(6)
_cell_angle_gamma                98.761(6)
_cell_formula_units_Z            2
_cell_length_a                   12.388(5)
_cell_length_b                   13.303(5)
_cell_length_c                   15.584(6)
_cell_measurement_reflns_used    9456
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     2242.9(15)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0657
_diffrn_reflns_av_sigmaI/netI    0.0879
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21779
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.12
_exptl_absorpt_coefficient_mu    1.436
_exptl_absorpt_correction_T_max  0.650
_exptl_absorpt_correction_T_min  0.395
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.160
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             834
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.958
_refine_diff_density_min         -0.962
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     436
_refine_ls_number_reflns         8151
_refine_ls_number_restraints     7
_refine_ls_restrained_S_all      1.134
_refine_ls_R_factor_all          0.1160
_refine_ls_R_factor_gt           0.0903
_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)+(0.1085P)²+0.3582P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2126
_refine_ls_wR_factor_ref         0.2297
_reflns_number_gt                6279
_reflns_number_total             8151
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01241f.txt
_cod_data_source_block           shelxl3
_cod_original_cell_volume        2243.0(14)
_cod_original_formula_sum        'C38.50 H63 N4 Si4 Y'
_cod_database_code               7015139
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 0.96912(4) 0.75809(4) 0.72615(4) 0.0426(2) Uani 1 1 d . . .
Si1 Si 1.20795(15) 0.99755(14) 0.81289(13) 0.0536(5) Uani 1 1 d . . .
Si2 Si 1.23175(15) 0.77427(14) 0.73167(13) 0.0530(5) Uani 1 1 d . . .
Si3 Si 0.99190(16) 0.67994(14) 0.90814(12) 0.0505(4) Uani 1 1 d . . .
Si4 Si 0.85244(16) 0.49341(13) 0.72156(13) 0.0541(5) Uani 1 1 d . . .
N1 N 0.8152(4) 0.8432(4) 0.6994(3) 0.0485(12) Uani 1 1 d . . .
N2 N 0.8370(4) 0.7381(4) 0.5700(3) 0.0485(12) Uani 1 1 d . . .
N3 N 1.1509(4) 0.8592(4) 0.7652(3) 0.0427(11) Uani 1 1 d . . .
N4 N 0.9332(4) 0.6267(4) 0.7841(3) 0.0452(11) Uani 1 1 d . . .
C1 C 0.7751(5) 0.8022(4) 0.6029(4) 0.0437(13) Uani 1 1 d . . .
C2 C 0.7670(5) 0.9195(5) 0.7465(4) 0.0466(14) Uani 1 1 d . . .
C3 C 0.7014(5) 0.8871(5) 0.7975(4) 0.0535(15) Uani 1 1 d . . .
C4 C 0.6593(6) 0.9638(7) 0.8485(5) 0.0678(19) Uani 1 1 d . . .
H4 H 0.6175 0.9441 0.8836 0.081 Uiso 1 1 calc R . .
C5 C 0.6786(6) 1.0672(7) 0.8475(5) 0.074(2) Uani 1 1 d . . .
H5 H 0.6469 1.1160 0.8797 0.089 Uiso 1 1 calc R . .
C6 C 0.7445(6) 1.1003(5) 0.7994(5) 0.0638(18) Uani 1 1 d . . .
H6 H 0.7601 1.1719 0.8020 0.077 Uiso 1 1 calc R . .
C7 C 0.7881(5) 1.0263(5) 0.7464(5) 0.0556(16) Uani 1 1 d . . .
C8 C 0.6745(6) 0.7724(6) 0.7968(5) 0.0667(18) Uani 1 1 d . . .
H8A H 0.7477 0.7528 0.8203 0.100 Uiso 1 1 calc R . .
H8B H 0.6260 0.7244 0.7317 0.100 Uiso 1 1 calc R . .
H8C H 0.6328 0.7669 0.8379 0.100 Uiso 1 1 calc R . .
C9 C 0.8595(7) 1.0646(6) 0.6946(5) 0.0706(19) Uani 1 1 d . . .
H9A H 0.9193 1.0263 0.6955 0.106 Uiso 1 1 calc R . .
H9B H 0.8970 1.1408 0.7265 0.106 Uiso 1 1 calc R . .
H9C H 0.8076 1.0512 0.6285 0.106 Uiso 1 1 calc R . .
C10 C 0.8007(5) 0.6810(5) 0.4686(4) 0.0508(15) Uani 1 1 d . . .
C11 C 0.6981(6) 0.5933(6) 0.4181(5) 0.0654(18) Uani 1 1 d . . .
C12 C 0.6660(9) 0.5427(7) 0.3187(6) 0.091(3) Uani 1 1 d . . .
H12 H 0.5967 0.4865 0.2826 0.110 Uiso 1 1 calc R . .
C13 C 0.7344(12) 0.5746(9) 0.2749(6) 0.109(4) Uani 1 1 d . . .
H13 H 0.7109 0.5391 0.2087 0.131 Uiso 1 1 calc R . .
C14 C 0.8368(10) 0.6568(9) 0.3231(6) 0.096(3) Uani 1 1 d . . .
H14 H 0.8829 0.6754 0.2905 0.115 Uiso 1 1 calc R . .
C15 C 0.8719(6) 0.7129(6) 0.4221(5) 0.0622(17) Uani 1 1 d . . .
C16 C 0.6228(7) 0.5563(6) 0.4667(6) 0.088(2) Uani 1 1 d . . .
H16A H 0.6654 0.5880 0.5359 0.132 Uiso 1 1 calc R . .
H16B H 0.6040 0.4788 0.4481 0.132 Uiso 1 1 calc R . .
H16C H 0.5504 0.5782 0.4476 0.132 Uiso 1 1 calc R . .
C17 C 0.9799(7) 0.8065(7) 0.4762(6) 0.083(2) Uani 1 1 d . . .
H17A H 0.9568 0.8714 0.4969 0.124 Uiso 1 1 calc R . .
H17B H 1.0205 0.8139 0.4347 0.124 Uiso 1 1 calc R . .
H17C H 1.0321 0.7945 0.5320 0.124 Uiso 1 1 calc R . .
C18 C 0.6704(5) 0.8251(5) 0.5356(4) 0.0456(13) Uani 1 1 d . . .
C19 C 0.5633(5) 0.8110(5) 0.5482(4) 0.0567(16) Uani 1 1 d . . .
H19 H 0.5579 0.7869 0.5978 0.068 Uiso 1 1 calc R . .
C20 C 0.4649(6) 0.8326(6) 0.4874(5) 0.070(2) Uani 1 1 d . . .
H20 H 0.3936 0.8221 0.4957 0.084 Uiso 1 1 calc R . .
C21 C 0.4737(6) 0.8695(7) 0.4149(5) 0.077(2) Uani 1 1 d . . .
H21 H 0.4085 0.8849 0.3745 0.093 Uiso 1 1 calc R . .
C22 C 0.5780(7) 0.8837(7) 0.4020(5) 0.077(2) Uani 1 1 d . . .
H22 H 0.5836 0.9087 0.3529 0.092 Uiso 1 1 calc R . .
C23 C 0.6756(6) 0.8608(5) 0.4619(5) 0.0608(17) Uani 1 1 d . . .
H23 H 0.7458 0.8698 0.4519 0.073 Uiso 1 1 calc R . .
C24 C 1.3703(6) 1.0415(6) 0.8948(6) 0.084(2) Uani 1 1 d . . .
H24A H 1.3827 1.0107 0.9454 0.126 Uiso 1 1 calc R . .
H24B H 1.3958 1.1190 0.9232 0.126 Uiso 1 1 calc R . .
H24C H 1.4154 1.0174 0.8579 0.126 Uiso 1 1 calc R . .
C25 C 1.1306(7) 1.0629(5) 0.8879(5) 0.0684(19) Uani 1 1 d . . .
H25A H 1.0462 1.0311 0.8545 0.103 Uiso 1 1 calc R . .
H25B H 1.1478 1.1391 0.8983 0.103 Uiso 1 1 calc R . .
H25C H 1.1581 1.0520 0.9494 0.103 Uiso 1 1 calc R . .
C26 C 1.1890(7) 1.0558(6) 0.7139(6) 0.084(2) Uani 1 1 d . . .
H26A H 1.2335 1.0284 0.6774 0.126 Uiso 1 1 calc R . .
H26B H 1.2177 1.1332 0.7416 0.126 Uiso 1 1 calc R . .
H26C H 1.1062 1.0357 0.6716 0.126 Uiso 1 1 calc R . .
C27 C 1.3108(6) 0.8147(6) 0.6580(5) 0.075(2) Uani 1 1 d . . .
H27A H 1.2558 0.8283 0.6047 0.113 Uiso 1 1 calc R . .
H27B H 1.3427 0.7574 0.6336 0.113 Uiso 1 1 calc R . .
H27C H 1.3745 0.8791 0.6981 0.113 Uiso 1 1 calc R . .
C28 C 1.1211(6) 0.6403(5) 0.6528(5) 0.0619(17) Uani 1 1 d . . .
H28A H 1.0862 0.6116 0.6905 0.093 Uiso 1 1 calc R . .
H28B H 1.1607 0.5910 0.6270 0.093 Uiso 1 1 calc R . .
H28C H 1.0598 0.6496 0.6003 0.093 Uiso 1 1 calc R . .
C29 C 1.3437(6) 0.7521(6) 0.8364(5) 0.075(2) Uani 1 1 d . . .
H29A H 1.4096 0.8158 0.8716 0.113 Uiso 1 1 calc R . .
H29B H 1.3719 0.6917 0.8124 0.113 Uiso 1 1 calc R . .
H29C H 1.3072 0.7376 0.8786 0.113 Uiso 1 1 calc R . .
C30 C 1.0300(6) 0.8312(5) 0.9395(4) 0.0584(16) Uani 1 1 d . . .
H30A H 1.0931 0.8536 0.9204 0.088 Uiso 1 1 calc R . .
H30B H 1.0553 0.8654 1.0082 0.088 Uiso 1 1 calc R . .
H30C H 0.9610 0.8516 0.9058 0.088 Uiso 1 1 calc R . .
C31 C 1.1325(6) 0.6444(6) 0.9665(5) 0.0715(19) Uani 1 1 d . . .
H31A H 1.1201 0.5675 0.9411 0.107 Uiso 1 1 calc R . .
H31B H 1.1548 0.6670 1.0354 0.107 Uiso 1 1 calc R . .
H31C H 1.1947 0.6804 0.9529 0.107 Uiso 1 1 calc R . .
C32 C 0.8893(7) 0.6449(6) 0.9662(5) 0.0691(19) Uani 1 1 d . . .
H32A H 0.8147 0.6591 0.9355 0.104 Uiso 1 1 calc R . .
H32B H 0.9243 0.6879 1.0340 0.104 Uiso 1 1 calc R . .
H32C H 0.8763 0.5696 0.9591 0.104 Uiso 1 1 calc R . .
C33 C 0.9116(9) 0.3975(6) 0.7814(6) 0.091(3) Uani 1 1 d . . .
H33A H 0.9953 0.4100 0.7962 0.137 Uiso 1 1 calc R . .
H33B H 0.8709 0.3244 0.7384 0.137 Uiso 1 1 calc R . .
H33C H 0.8989 0.4088 0.8403 0.137 Uiso 1 1 calc R . .
C34 C 0.6926(7) 0.4733(7) 0.7068(7) 0.094(3) Uani 1 1 d . . .
H34A H 0.6898 0.5057 0.7687 0.140 Uiso 1 1 calc R . .
H34B H 0.6537 0.3972 0.6821 0.140 Uiso 1 1 calc R . .
H34C H 0.6528 0.5067 0.6622 0.140 Uiso 1 1 calc R . .
C35 C 0.8530(7) 0.4458(6) 0.5969(5) 0.078(2) Uani 1 1 d . . .
H35A H 0.8307 0.4963 0.5647 0.117 Uiso 1 1 calc R . .
H35B H 0.7973 0.3759 0.5600 0.117 Uiso 1 1 calc R . .
H35C H 0.9314 0.4409 0.6023 0.117 Uiso 1 1 calc R . .
C36 C 0.483(3) 0.572(2) 0.053(2) 0.162(4) Uiso 0.50 1 d PD . .
C37 C 0.435(3) 0.466(2) 0.043(2) 0.162(4) Uiso 0.50 1 d PD . .
C38 C 0.436(3) 0.366(2) -0.019(2) 0.162(4) Uiso 0.50 1 d PD . .
C39 C 0.510(3) 0.373(3) -0.068(2) 0.162(4) Uiso 0.50 1 d PD . .
C40 C 0.573(3) 0.480(3) -0.052(2) 0.162(4) Uiso 0.50 1 d PD . .
C41 C 0.568(3) 0.572(3) 0.012(2) 0.162(4) Uiso 0.50 1 d PD . .
C42 C 0.471(3) 0.666(2) 0.126(2) 0.162(4) 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'
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
_geom_angle_publ_flag
N4 Y1 N3 123.76(16) . . ?
N4 Y1 N1 111.22(17) . . ?
N3 Y1 N1 116.76(17) . . ?
N4 Y1 N2 117.37(17) . . ?
N3 Y1 N2 112.30(17) . . ?
N1 Y1 N2 57.59(16) . . ?
N4 Y1 C1 117.82(17) . . ?
N3 Y1 C1 118.39(16) . . ?
N1 Y1 C1 28.65(16) . . ?
N2 Y1 C1 28.94(16) . . ?
N4 Y1 Si2 105.18(13) . . ?
N3 Y1 Si2 30.71(12) . . ?
N1 Y1 Si2 143.17(12) . . ?
N2 Y1 Si2 109.67(12) . . ?
C1 Y1 Si2 130.63(12) . . ?
N4 Y1 Si3 30.26(12) . . ?
N3 Y1 Si3 104.71(12) . . ?
N1 Y1 Si3 108.15(12) . . ?
N2 Y1 Si3 142.85(12) . . ?
C1 Y1 Si3 129.04(12) . . ?
Si2 Y1 Si3 100.31(5) . . ?
N3 Si1 C26 110.6(3) . . ?
N3 Si1 C24 113.1(3) . . ?
C26 Si1 C24 107.8(4) . . ?
N3 Si1 C25 111.5(3) . . ?
C26 Si1 C25 107.6(4) . . ?
C24 Si1 C25 106.0(4) . . ?
N3 Si2 C27 114.9(3) . . ?
N3 Si2 C28 105.9(3) . . ?
C27 Si2 C28 106.7(3) . . ?
N3 Si2 C29 113.8(3) . . ?
C27 Si2 C29 107.7(3) . . ?
C28 Si2 C29 107.4(3) . . ?
N3 Si2 Y1 41.58(15) . . ?
C27 Si2 Y1 134.6(3) . . ?
C28 Si2 Y1 65.2(2) . . ?
C29 Si2 Y1 117.4(2) . . ?
N4 Si3 C32 115.3(3) . . ?
N4 Si3 C31 113.2(3) . . ?
C32 Si3 C31 107.6(3) . . ?
N4 Si3 C30 105.9(3) . . ?
C32 Si3 C30 107.1(3) . . ?
C31 Si3 C30 107.3(3) . . ?
N4 Si3 Y1 40.97(16) . . ?
C32 Si3 Y1 135.2(2) . . ?
C31 Si3 Y1 116.8(2) . . ?
C30 Si3 Y1 65.86(19) . . ?
N4 Si4 C33 113.7(3) . . ?
N4 Si4 C35 111.3(3) . . ?
C33 Si4 C35 105.7(4) . . ?
N4 Si4 C34 111.6(3) . . ?
C33 Si4 C34 106.6(4) . . ?
C35 Si4 C34 107.7(4) . . ?
C1 N1 C2 122.0(5) . . ?
C1 N1 Y1 94.2(3) . . ?
C2 N1 Y1 143.5(4) . . ?
C1 N2 C10 121.8(5) . . ?
C1 N2 Y1 93.7(3) . . ?
C10 N2 Y1 144.2(4) . . ?
Si2 N3 Si1 122.1(3) . . ?
Si2 N3 Y1 107.7(2) . . ?
Si1 N3 Y1 130.0(2) . . ?
Si3 N4 Si4 122.2(3) . . ?
Si3 N4 Y1 108.8(2) . . ?
Si4 N4 Y1 128.9(2) . . ?
N1 C1 N2 114.5(5) . . ?
N1 C1 C18 123.4(5) . . ?
N2 C1 C18 122.0(5) . . ?
N1 C1 Y1 57.1(3) . . ?
N2 C1 Y1 57.4(3) . . ?
C18 C1 Y1 179.4(4) . . ?
C7 C2 C3 120.5(6) . . ?
C7 C2 N1 121.2(5) . . ?
C3 C2 N1 118.3(5) . . ?
C4 C3 C2 118.5(6) . . ?
C4 C3 C8 119.9(6) . . ?
C2 C3 C8 121.7(6) . . ?
C5 C4 C3 121.1(7) . . ?
C5 C4 H4 119.4 . . ?
C3 C4 H4 119.4 . . ?
C4 C5 C6 120.8(7) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C7 120.3(7) . . ?
C5 C6 H6 119.8 . . ?
C7 C6 H6 119.8 . . ?
C2 C7 C6 118.7(6) . . ?
C2 C7 C9 122.1(6) . . ?
C6 C7 C9 119.1(6) . . ?
C3 C8 H8A 109.5 . . ?
C3 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C3 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C15 C10 C11 121.2(6) . . ?
C15 C10 N2 118.3(6) . . ?
C11 C10 N2 120.5(6) . . ?
C12 C11 C10 117.6(8) . . ?
C12 C11 C16 120.3(8) . . ?
C10 C11 C16 122.1(6) . . ?
C13 C12 C11 120.6(9) . . ?
C13 C12 H12 119.7 . . ?
C11 C12 H12 119.7 . . ?
C12 C13 C14 122.9(9) . . ?
C12 C13 H13 118.5 . . ?
C14 C13 H13 118.5 . . ?
C13 C14 C15 119.3(9) . . ?
C13 C14 H14 120.4 . . ?
C15 C14 H14 120.4 . . ?
C14 C15 C10 118.4(8) . . ?
C14 C15 C17 120.9(8) . . ?
C10 C15 C17 120.7(6) . . ?
C11 C16 H16A 109.5 . . ?
C11 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C11 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
C15 C17 H17A 109.5 . . ?
C15 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C15 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C23 C18 C19 118.3(5) . . ?
C23 C18 C1 122.4(5) . . ?
C19 C18 C1 119.4(5) . . ?
C20 C19 C18 120.7(6) . . ?
C20 C19 H19 119.6 . . ?
C18 C19 H19 119.6 . . ?
C21 C20 C19 119.5(6) . . ?
C21 C20 H20 120.3 . . ?
C19 C20 H20 120.3 . . ?
C22 C21 C20 120.3(6) . . ?
C22 C21 H21 119.9 . . ?
C20 C21 H21 119.9 . . ?
C21 C22 C23 120.1(7) . . ?
C21 C22 H22 119.9 . . ?
C23 C22 H22 119.9 . . ?
C18 C23 C22 121.1(6) . . ?
C18 C23 H23 119.4 . . ?
C22 C23 H23 119.4 . . ?
Si1 C24 H24A 109.5 . . ?
Si1 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
Si1 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
Si1 C25 H25A 109.5 . . ?
Si1 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
Si1 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
Si1 C26 H26A 109.5 . . ?
Si1 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
Si1 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
Si2 C27 H27A 109.5 . . ?
Si2 C27 H27B 109.5 . . ?
H27A C27 H27B 109.5 . . ?
Si2 C27 H27C 109.5 . . ?
H27A C27 H27C 109.5 . . ?
H27B C27 H27C 109.5 . . ?
Si2 C28 H28A 109.5 . . ?
Si2 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
Si2 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
Si2 C29 H29A 109.5 . . ?
Si2 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
Si2 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
Si3 C30 H30A 109.5 . . ?
Si3 C30 H30B 109.5 . . ?
H30A C30 H30B 109.5 . . ?
Si3 C30 H30C 109.5 . . ?
H30A C30 H30C 109.5 . . ?
H30B C30 H30C 109.5 . . ?
Si3 C31 H31A 109.5 . . ?
Si3 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
Si3 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
Si3 C32 H32A 109.5 . . ?
Si3 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
Si3 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
Si4 C33 H33A 109.5 . . ?
Si4 C33 H33B 109.5 . . ?
H33A C33 H33B 109.5 . . ?
Si4 C33 H33C 109.5 . . ?
H33A C33 H33C 109.5 . . ?
H33B C33 H33C 109.5 . . ?
Si4 C34 H34A 109.5 . . ?
Si4 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
Si4 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
Si4 C35 H35A 109.5 . . ?
Si4 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
Si4 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
C39 C36 C40 129(6) 2_665 2_665 ?
C39 C36 C37 155(5) 2_665 . ?
C40 C36 C37 27(3) 2_665 . ?
C39 C36 C41 97(4) 2_665 . ?
C40 C36 C41 134(3) 2_665 . ?
C37 C36 C41 109(2) . . ?
C39 C36 C42 36(3) 2_665 . ?
C40 C36 C42 98(4) 2_665 . ?
C37 C36 C42 120(3) . . ?
C41 C36 C42 128(3) . . ?
C39 C36 C38 66(4) 2_665 2_665 ?
C40 C36 C38 159(4) 2_665 2_665 ?
C37 C36 C38 139(2) . 2_665 ?
C41 C36 C38 31.6(16) . 2_665 ?
C42 C36 C38 100(3) . 2_665 ?
C39 C36 C41 165(7) 2_665 2_665 ?
C40 C36 C41 48(2) 2_665 2_665 ?
C37 C36 C41 27.2(18) . 2_665 ?
C41 C36 C41 86(2) . 2_665 ?
C42 C36 C41 145(3) . 2_665 ?
C38 C36 C41 114(3) 2_665 2_665 ?
C40 C37 C41 122(6) 2_665 2_665 ?
C40 C37 C36 34(4) 2_665 . ?
C41 C37 C36 105(4) 2_665 . ?
C40 C37 C38 152(6) 2_665 . ?
C41 C37 C38 30(3) 2_665 . ?
C36 C37 C38 130(3) . . ?
C40 C37 C39 27(4) 2_665 2_665 ?
C41 C37 C39 112(4) 2_665 2_665 ?
C36 C37 C39 8.2(16) . 2_665 ?
C38 C37 C39 138(2) . 2_665 ?
C41 C38 C39 92(4) 2_665 . ?
C41 C38 C37 33(3) 2_665 . ?
C39 C38 C37 116(3) . . ?
C41 C38 C36 67(3) 2_665 2_665 ?
C39 C38 C36 26.5(17) . 2_665 ?
C37 C38 C36 90(2) . 2_665 ?
C36 C39 C42 122(5) 2_665 2_665 ?
C36 C39 C38 88(5) 2_665 . ?
C42 C39 C38 146(4) 2_665 . ?
C36 C39 C40 30(4) 2_665 . ?
C42 C39 C40 97(3) 2_665 . ?
C38 C39 C40 116(3) . . ?
C36 C39 C41 59(3) 2_665 2_665 ?
C42 C39 C41 158(4) 2_665 2_665 ?
C38 C39 C41 29.5(19) . 2_665 ?
C40 C39 C41 88(2) . 2_665 ?
C36 C39 C37 17(3) 2_665 2_665 ?
C42 C39 C37 106(3) 2_665 2_665 ?
C38 C39 C37 105(2) . 2_665 ?
C40 C39 C37 13(2) . 2_665 ?
C41 C39 C37 76.0(16) 2_665 2_665 ?
C37 C40 C36 118(6) 2_665 2_665 ?
C37 C40 C41 32(4) 2_665 . ?
C36 C40 C41 103(4) 2_665 . ?
C37 C40 C39 140(6) 2_665 . ?
C36 C40 C39 22(3) 2_665 . ?
C41 C40 C39 124(3) . . ?
C37 C40 C42 152(6) 2_665 2_665 ?
C36 C40 C42 54(3) 2_665 2_665 ?
C41 C40 C42 157(3) . 2_665 ?
C39 C40 C42 33.8(16) . 2_665 ?
C38 C41 C37 117(6) 2_665 2_665 ?
C38 C41 C40 144(5) 2_665 . ?
C37 C41 C40 27(3) 2_665 . ?
C38 C41 C36 82(3) 2_665 . ?
C37 C41 C36 132(5) 2_665 . ?
C40 C41 C36 123(3) . . ?
C38 C41 C39 58(3) 2_665 2_665 ?
C37 C41 C39 144(5) 2_665 2_665 ?
C40 C41 C39 145(3) . 2_665 ?
C36 C41 C39 24.4(15) . 2_665 ?
C38 C41 C36 153(5) 2_665 2_665 ?
C37 C41 C36 48(3) 2_665 2_665 ?
C40 C41 C36 28.7(18) . 2_665 ?
C36 C41 C36 94(2) . 2_665 ?
C39 C41 C36 117(3) 2_665 2_665 ?
C39 C42 C36 22(2) 2_665 . ?
C39 C42 C40 49(2) 2_665 2_665 ?
C36 C42 C40 28.6(18) . 2_665 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Y1 N4 2.225(5) . ?
Y1 N3 2.228(5) . ?
Y1 N1 2.337(5) . ?
Y1 N2 2.343(5) . ?
Y1 C1 2.775(6) . ?
Y1 Si2 3.198(2) . ?
Y1 Si3 3.212(2) . ?
Si1 N3 1.719(5) . ?
Si1 C26 1.867(7) . ?
Si1 C24 1.875(7) . ?
Si1 C25 1.875(7) . ?
Si2 N3 1.714(5) . ?
Si2 C27 1.870(7) . ?
Si2 C28 1.874(6) . ?
Si2 C29 1.875(7) . ?
Si3 N4 1.710(5) . ?
Si3 C32 1.865(7) . ?
Si3 C31 1.867(7) . ?
Si3 C30 1.881(6) . ?
Si4 N4 1.723(5) . ?
Si4 C33 1.867(8) . ?
Si4 C35 1.879(7) . ?
Si4 C34 1.882(8) . ?
N1 C1 1.334(7) . ?
N1 C2 1.418(7) . ?
N2 C1 1.346(7) . ?
N2 C10 1.432(7) . ?
C1 C18 1.497(8) . ?
C2 C7 1.405(8) . ?
C2 C3 1.412(8) . ?
C3 C4 1.398(9) . ?
C3 C8 1.508(9) . ?
C4 C5 1.365(11) . ?
C4 H4 0.9300 . ?
C5 C6 1.380(10) . ?
C5 H5 0.9300 . ?
C6 C7 1.406(9) . ?
C6 H6 0.9300 . ?
C7 C9 1.504(9) . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C15 1.402(9) . ?
C10 C11 1.405(9) . ?
C11 C12 1.399(10) . ?
C11 C16 1.492(11) . ?
C12 C13 1.342(14) . ?
C12 H12 0.9300 . ?
C13 C14 1.365(14) . ?
C13 H13 0.9300 . ?
C14 C15 1.400(11) . ?
C14 H14 0.9300 . ?
C15 C17 1.489(10) . ?
C16 H16A 0.9600 . ?
C16 H16B 0.9600 . ?
C16 H16C 0.9600 . ?
C17 H17A 0.9600 . ?
C17 H17B 0.9600 . ?
C17 H17C 0.9600 . ?
C18 C23 1.371(8) . ?
C18 C19 1.399(8) . ?
C19 C20 1.390(9) . ?
C19 H19 0.9300 . ?
C20 C21 1.377(10) . ?
C20 H20 0.9300 . ?
C21 C22 1.367(10) . ?
C21 H21 0.9300 . ?
C22 C23 1.387(9) . ?
C22 H22 0.9300 . ?
C23 H23 0.9300 . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C26 H26A 0.9600 . ?
C26 H26B 0.9600 . ?
C26 H26C 0.9600 . ?
C27 H27A 0.9600 . ?
C27 H27B 0.9600 . ?
C27 H27C 0.9600 . ?
C28 H28A 0.9600 . ?
C28 H28B 0.9600 . ?
C28 H28C 0.9600 . ?
C29 H29A 0.9600 . ?
C29 H29B 0.9600 . ?
C29 H29C 0.9600 . ?
C30 H30A 0.9600 . ?
C30 H30B 0.9600 . ?
C30 H30C 0.9600 . ?
C31 H31A 0.9600 . ?
C31 H31B 0.9600 . ?
C31 H31C 0.9600 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
C33 H33A 0.9600 . ?
C33 H33B 0.9600 . ?
C33 H33C 0.9600 . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
C36 C39 0.68(4) 2_665 ?
C36 C40 0.90(4) 2_665 ?
C36 C37 1.396(18) . ?
C36 C41 1.407(18) . ?
C36 C42 1.511(18) . ?
C36 C38 1.52(5) 2_665 ?
C36 C41 1.82(4) 2_665 ?
C37 C40 0.73(4) 2_665 ?
C37 C41 0.86(4) 2_665 ?
C37 C38 1.419(18) . ?
C37 C39 2.03(4) 2_665 ?
C38 C41 0.80(4) 2_665 ?
C38 C39 1.387(18) . ?
C38 C36 1.52(5) 2_665 ?
C39 C36 0.68(4) 2_665 ?
C39 C42 1.04(4) 2_665 ?
C39 C40 1.421(18) . ?
C39 C41 1.63(5) 2_665 ?
C39 C37 2.03(4) 2_665 ?
C40 C37 0.73(4) 2_665 ?
C40 C36 0.90(4) 2_665 ?
C40 C41 1.384(18) . ?
C40 C42 1.86(4) 2_665 ?
C41 C38 0.80(4) 2_665 ?
C41 C37 0.86(4) 2_665 ?
C41 C39 1.63(5) 2_665 ?
C41 C36 1.82(4) 2_665 ?
C42 C39 1.04(4) 2_665 ?
C42 C40 1.86(4) 2_665 ?
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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N4 Y1 Si2 N3 -132.1(3) . . . . ?
N1 Y1 Si2 N3 39.0(3) . . . . ?
N2 Y1 Si2 N3 100.8(3) . . . . ?
C1 Y1 Si2 N3 77.4(3) . . . . ?
Si3 Y1 Si2 N3 -101.5(2) . . . . ?
N4 Y1 Si2 C27 150.5(4) . . . . ?
N3 Y1 Si2 C27 -77.4(4) . . . . ?
N1 Y1 Si2 C27 -38.4(4) . . . . ?
N2 Y1 Si2 C27 23.4(4) . . . . ?
C1 Y1 Si2 C27 0.0(4) . . . . ?
Si3 Y1 Si2 C27 -178.8(3) . . . . ?
N4 Y1 Si2 C28 61.1(3) . . . . ?
N3 Y1 Si2 C28 -166.7(4) . . . . ?
N1 Y1 Si2 C28 -127.8(3) . . . . ?
N2 Y1 Si2 C28 -65.9(3) . . . . ?
C1 Y1 Si2 C28 -89.3(3) . . . . ?
Si3 Y1 Si2 C28 91.8(3) . . . . ?
N4 Y1 Si2 C29 -36.4(3) . . . . ?
N3 Y1 Si2 C29 95.7(4) . . . . ?
N1 Y1 Si2 C29 134.7(3) . . . . ?
N2 Y1 Si2 C29 -163.5(3) . . . . ?
C1 Y1 Si2 C29 173.1(3) . . . . ?
Si3 Y1 Si2 C29 -5.8(3) . . . . ?
N3 Y1 Si3 N4 -133.7(3) . . . . ?
N1 Y1 Si3 N4 101.2(3) . . . . ?
N2 Y1 Si3 N4 41.3(3) . . . . ?
C1 Y1 Si3 N4 78.6(3) . . . . ?
Si2 Y1 Si3 N4 -102.5(3) . . . . ?
N4 Y1 Si3 C32 -76.4(4) . . . . ?
N3 Y1 Si3 C32 149.9(4) . . . . ?
N1 Y1 Si3 C32 24.7(4) . . . . ?
N2 Y1 Si3 C32 -35.2(4) . . . . ?
C1 Y1 Si3 C32 2.2(4) . . . . ?
Si2 Y1 Si3 C32 -178.9(3) . . . . ?
N4 Y1 Si3 C31 95.2(4) . . . . ?
N3 Y1 Si3 C31 -38.4(3) . . . . ?
N1 Y1 Si3 C31 -163.6(3) . . . . ?
N2 Y1 Si3 C31 136.5(3) . . . . ?
C1 Y1 Si3 C31 173.8(3) . . . . ?
Si2 Y1 Si3 C31 -7.3(3) . . . . ?
N4 Y1 Si3 C30 -166.7(4) . . . . ?
N3 Y1 Si3 C30 59.6(3) . . . . ?
N1 Y1 Si3 C30 -65.6(3) . . . . ?
N2 Y1 Si3 C30 -125.5(3) . . . . ?
C1 Y1 Si3 C30 -88.2(3) . . . . ?
Si2 Y1 Si3 C30 90.8(2) . . . . ?
N4 Y1 N1 C1 -109.5(3) . . . . ?
N3 Y1 N1 C1 100.8(3) . . . . ?
N2 Y1 N1 C1 0.2(3) . . . . ?
Si2 Y1 N1 C1 79.7(4) . . . . ?
Si3 Y1 N1 C1 -141.5(3) . . . . ?
N4 Y1 N1 C2 77.7(7) . . . . ?
N3 Y1 N1 C2 -72.0(7) . . . . ?
N2 Y1 N1 C2 -172.5(7) . . . . ?
C1 Y1 N1 C2 -172.8(9) . . . . ?
Si2 Y1 N1 C2 -93.1(7) . . . . ?
Si3 Y1 N1 C2 45.7(7) . . . . ?
N4 Y1 N2 C1 98.6(3) . . . . ?
N3 Y1 N2 C1 -108.7(3) . . . . ?
N1 Y1 N2 C1 -0.2(3) . . . . ?
Si2 Y1 N2 C1 -141.5(3) . . . . ?
Si3 Y1 N2 C1 76.6(4) . . . . ?
N4 Y1 N2 C10 -73.7(7) . . . . ?
N3 Y1 N2 C10 79.0(7) . . . . ?
N1 Y1 N2 C10 -172.6(7) . . . . ?
C1 Y1 N2 C10 -172.4(9) . . . . ?
Si2 Y1 N2 C10 46.1(7) . . . . ?
Si3 Y1 N2 C10 -95.7(7) . . . . ?
C27 Si2 N3 Si1 -46.4(4) . . . . ?
C28 Si2 N3 Si1 -163.9(3) . . . . ?
C29 Si2 N3 Si1 78.4(4) . . . . ?
Y1 Si2 N3 Si1 -176.4(4) . . . . ?
C27 Si2 N3 Y1 130.0(3) . . . . ?
C28 Si2 N3 Y1 12.5(3) . . . . ?
C29 Si2 N3 Y1 -105.2(3) . . . . ?
C26 Si1 N3 Si2 84.1(4) . . . . ?
C24 Si1 N3 Si2 -37.0(4) . . . . ?
C25 Si1 N3 Si2 -156.3(3) . . . . ?
C26 Si1 N3 Y1 -91.5(4) . . . . ?
C24 Si1 N3 Y1 147.5(4) . . . . ?
C25 Si1 N3 Y1 28.2(4) . . . . ?
N4 Y1 N3 Si2 59.4(3) . . . . ?
N1 Y1 N3 Si2 -155.0(2) . . . . ?
N2 Y1 N3 Si2 -91.3(2) . . . . ?
C1 Y1 N3 Si2 -122.7(2) . . . . ?
Si3 Y1 N3 Si2 85.4(2) . . . . ?
N4 Y1 N3 Si1 -124.6(3) . . . . ?
N1 Y1 N3 Si1 21.0(4) . . . . ?
N2 Y1 N3 Si1 84.8(3) . . . . ?
C1 Y1 N3 Si1 53.4(4) . . . . ?
Si2 Y1 N3 Si1 176.0(5) . . . . ?
Si3 Y1 N3 Si1 -98.5(3) . . . . ?
C32 Si3 N4 Si4 -45.4(4) . . . . ?
C31 Si3 N4 Si4 79.1(4) . . . . ?
C30 Si3 N4 Si4 -163.6(3) . . . . ?
Y1 Si3 N4 Si4 -176.2(5) . . . . ?
C32 Si3 N4 Y1 130.8(3) . . . . ?
C31 Si3 N4 Y1 -104.7(3) . . . . ?
C30 Si3 N4 Y1 12.6(3) . . . . ?
C33 Si4 N4 Si3 -38.3(5) . . . . ?
C35 Si4 N4 Si3 -157.4(4) . . . . ?
C34 Si4 N4 Si3 82.3(5) . . . . ?
C33 Si4 N4 Y1 146.4(4) . . . . ?
C35 Si4 N4 Y1 27.2(5) . . . . ?
C34 Si4 N4 Y1 -93.0(4) . . . . ?
N3 Y1 N4 Si3 57.3(3) . . . . ?
N1 Y1 N4 Si3 -89.9(3) . . . . ?
N2 Y1 N4 Si3 -153.3(2) . . . . ?
C1 Y1 N4 Si3 -120.6(2) . . . . ?
Si2 Y1 N4 Si3 84.4(2) . . . . ?
N3 Y1 N4 Si4 -126.8(3) . . . . ?
N1 Y1 N4 Si4 86.0(3) . . . . ?
N2 Y1 N4 Si4 22.5(4) . . . . ?
C1 Y1 N4 Si4 55.3(4) . . . . ?
Si2 Y1 N4 Si4 -99.7(3) . . . . ?
Si3 Y1 N4 Si4 175.8(5) . . . . ?
C2 N1 C1 N2 174.5(5) . . . . ?
Y1 N1 C1 N2 -0.4(5) . . . . ?
C2 N1 C1 C18 -5.2(8) . . . . ?
Y1 N1 C1 C18 179.8(5) . . . . ?
C2 N1 C1 Y1 174.9(6) . . . . ?
C10 N2 C1 N1 175.2(5) . . . . ?
Y1 N2 C1 N1 0.4(5) . . . . ?
C10 N2 C1 C18 -5.1(8) . . . . ?
Y1 N2 C1 C18 -179.8(4) . . . . ?
C10 N2 C1 Y1 174.8(6) . . . . ?
N4 Y1 C1 N1 83.6(4) . . . . ?
N3 Y1 C1 N1 -94.5(3) . . . . ?
N2 Y1 C1 N1 -179.6(5) . . . . ?
Si2 Y1 C1 N1 -129.0(3) . . . . ?
Si3 Y1 C1 N1 49.6(4) . . . . ?
N4 Y1 C1 N2 -96.9(3) . . . . ?
N3 Y1 C1 N2 85.1(4) . . . . ?
N1 Y1 C1 N2 179.6(5) . . . . ?
Si2 Y1 C1 N2 50.6(4) . . . . ?
Si3 Y1 C1 N2 -130.8(3) . . . . ?
N4 Y1 C1 C18 -83(44) . . . . ?
N3 Y1 C1 C18 99(44) . . . . ?
N1 Y1 C1 C18 -167(100) . . . . ?
N2 Y1 C1 C18 14(43) . . . . ?
Si2 Y1 C1 C18 64(44) . . . . ?
Si3 Y1 C1 C18 -117(44) . . . . ?
C1 N1 C2 C7 -71.0(7) . . . . ?
Y1 N1 C2 C7 100.5(7) . . . . ?
C1 N1 C2 C3 111.9(6) . . . . ?
Y1 N1 C2 C3 -76.6(8) . . . . ?
C7 C2 C3 C4 -0.6(9) . . . . ?
N1 C2 C3 C4 176.5(5) . . . . ?
C7 C2 C3 C8 178.4(6) . . . . ?
N1 C2 C3 C8 -4.4(8) . . . . ?
C2 C3 C4 C5 1.4(10) . . . . ?
C8 C3 C4 C5 -177.6(6) . . . . ?
C3 C4 C5 C6 -2.6(11) . . . . ?
C4 C5 C6 C7 3.1(10) . . . . ?
C3 C2 C7 C6 1.1(9) . . . . ?
N1 C2 C7 C6 -176.0(5) . . . . ?
C3 C2 C7 C9 178.9(6) . . . . ?
N1 C2 C7 C9 1.8(9) . . . . ?
C5 C6 C7 C2 -2.3(9) . . . . ?
C5 C6 C7 C9 179.9(6) . . . . ?
C1 N2 C10 C15 111.4(6) . . . . ?
Y1 N2 C10 C15 -77.6(8) . . . . ?
C1 N2 C10 C11 -70.4(8) . . . . ?
Y1 N2 C10 C11 100.6(7) . . . . ?
C15 C10 C11 C12 -3.3(9) . . . . ?
N2 C10 C11 C12 178.5(6) . . . . ?
C15 C10 C11 C16 178.4(6) . . . . ?
N2 C10 C11 C16 0.3(9) . . . . ?
C10 C11 C12 C13 2.8(12) . . . . ?
C16 C11 C12 C13 -179.0(8) . . . . ?
C11 C12 C13 C14 -0.4(14) . . . . ?
C12 C13 C14 C15 -1.6(14) . . . . ?
C13 C14 C15 C10 1.0(11) . . . . ?
C13 C14 C15 C17 -177.1(7) . . . . ?
C11 C10 C15 C14 1.5(9) . . . . ?
N2 C10 C15 C14 179.7(6) . . . . ?
C11 C10 C15 C17 179.6(6) . . . . ?
N2 C10 C15 C17 -2.2(9) . . . . ?
N1 C1 C18 C23 128.4(7) . . . . ?
N2 C1 C18 C23 -51.3(8) . . . . ?
Y1 C1 C18 C23 -65(44) . . . . ?
N1 C1 C18 C19 -50.9(8) . . . . ?
N2 C1 C18 C19 129.4(6) . . . . ?
Y1 C1 C18 C19 116(44) . . . . ?
C23 C18 C19 C20 0.1(10) . . . . ?
C1 C18 C19 C20 179.4(6) . . . . ?
C18 C19 C20 C21 -0.9(11) . . . . ?
C19 C20 C21 C22 0.8(12) . . . . ?
C20 C21 C22 C23 0.0(12) . . . . ?
C19 C18 C23 C22 0.8(10) . . . . ?
C1 C18 C23 C22 -178.5(6) . . . . ?
C21 C22 C23 C18 -0.9(12) . . . . ?
C39 C36 C37 C40 22(15) 2_665 . . 2_665 ?
C41 C36 C37 C40 -161(9) . . . 2_665 ?
C42 C36 C37 C40 37(7) . . . 2_665 ?
C38 C36 C37 C40 -151(10) 2_665 . . 2_665 ?
C41 C36 C37 C40 -125(10) 2_665 . . 2_665 ?
C39 C36 C37 C41 147(16) 2_665 . . 2_665 ?
C40 C36 C37 C41 125(10) 2_665 . . 2_665 ?
C41 C36 C37 C41 -36(7) . . . 2_665 ?
C42 C36 C37 C41 162(5) . . . 2_665 ?
C38 C36 C37 C41 -26(7) 2_665 . . 2_665 ?
C39 C36 C37 C38 165(15) 2_665 . . . ?
C40 C36 C37 C38 143(9) 2_665 . . . ?
C41 C36 C37 C38 -17(6) . . . . ?
C42 C36 C37 C38 -180(3) . . . . ?
C38 C36 C37 C38 -8(8) 2_665 . . . ?
C41 C36 C37 C38 18(4) 2_665 . . . ?
C40 C36 C37 C39 -22(15) 2_665 . . 2_665 ?
C41 C36 C37 C39 178(19) . . . 2_665 ?
C42 C36 C37 C39 16(14) . . . 2_665 ?
C38 C36 C37 C39 -173(21) 2_665 . . 2_665 ?
C41 C36 C37 C39 -147(16) 2_665 . . 2_665 ?
C40 C37 C38 C41 8(11) 2_665 . . 2_665 ?
C36 C37 C38 C41 -37(7) . . . 2_665 ?
C39 C37 C38 C41 -34(7) 2_665 . . 2_665 ?
C40 C37 C38 C39 55(13) 2_665 . . . ?
C41 C37 C38 C39 47(7) 2_665 . . . ?
C36 C37 C38 C39 10(5) . . . . ?
C39 C37 C38 C39 13(6) 2_665 . . . ?
C40 C37 C38 C36 50(12) 2_665 . . 2_665 ?
C41 C37 C38 C36 42(6) 2_665 . . 2_665 ?
C36 C37 C38 C36 5(5) . . . 2_665 ?
C39 C37 C38 C36 8(4) 2_665 . . 2_665 ?
C41 C38 C39 C36 13(7) 2_665 . . 2_665 ?
C37 C38 C39 C36 -11(7) . . . 2_665 ?
C41 C38 C39 C42 -139(8) 2_665 . . 2_665 ?
C37 C38 C39 C42 -162(7) . . . 2_665 ?
C36 C38 C39 C42 -151(13) 2_665 . . 2_665 ?
C41 C38 C39 C40 22(5) 2_665 . . . ?
C37 C38 C39 C40 -1(5) . . . . ?
C36 C38 C39 C40 9(5) 2_665 . . . ?
C37 C38 C39 C41 -23(4) . . . 2_665 ?
C36 C38 C39 C41 -13(7) 2_665 . . 2_665 ?
C41 C38 C39 C37 14(5) 2_665 . . 2_665 ?
C37 C38 C39 C37 -9(4) . . . 2_665 ?
C36 C38 C39 C37 2(4) 2_665 . . 2_665 ?
C36 C39 C40 C37 -16(11) 2_665 . . 2_665 ?
C42 C39 C40 C37 134(9) 2_665 . . 2_665 ?
C38 C39 C40 C37 -35(10) . . . 2_665 ?
C41 C39 C40 C37 -25(8) 2_665 . . 2_665 ?
C42 C39 C40 C36 150(12) 2_665 . . 2_665 ?
C38 C39 C40 C36 -19(9) . . . 2_665 ?
C41 C39 C40 C36 -9(9) 2_665 . . 2_665 ?
C37 C39 C40 C36 16(11) 2_665 . . 2_665 ?
C36 C39 C40 C41 22(10) 2_665 . . . ?
C42 C39 C40 C41 172(4) 2_665 . . . ?
C38 C39 C40 C41 3(5) . . . . ?
C41 C39 C40 C41 14(4) 2_665 . . . ?
C37 C39 C40 C41 38(7) 2_665 . . . ?
C36 C39 C40 C42 -150(12) 2_665 . . 2_665 ?
C38 C39 C40 C42 -169(6) . . . 2_665 ?
C41 C39 C40 C42 -159(4) 2_665 . . 2_665 ?
C37 C39 C40 C42 -134(9) 2_665 . . 2_665 ?
C37 C40 C41 C38 -7(9) 2_665 . . 2_665 ?
C36 C40 C41 C38 -130(9) 2_665 . . 2_665 ?
C39 C40 C41 C38 -138(8) . . . 2_665 ?
C42 C40 C41 C38 -127(9) 2_665 . . 2_665 ?
C36 C40 C41 C37 -123(10) 2_665 . . 2_665 ?
C39 C40 C41 C37 -131(10) . . . 2_665 ?
C42 C40 C41 C37 -120(12) 2_665 . . 2_665 ?
C37 C40 C41 C36 119(9) 2_665 . . . ?
C36 C40 C41 C36 -4(7) 2_665 . . . ?
C39 C40 C41 C36 -12(6) . . . . ?
C42 C40 C41 C36 -1(11) 2_665 . . . ?
C37 C40 C41 C39 107(10) 2_665 . . 2_665 ?
C36 C40 C41 C39 -16(7) 2_665 . . 2_665 ?
C39 C40 C41 C39 -24(7) . . . 2_665 ?
C42 C40 C41 C39 -13(11) 2_665 . . 2_665 ?
C37 C40 C41 C36 123(10) 2_665 . . 2_665 ?
C39 C40 C41 C36 -8(4) . . . 2_665 ?
C42 C40 C41 C36 3(5) 2_665 . . 2_665 ?
C39 C36 C41 C38 -13(7) 2_665 . . 2_665 ?
C40 C36 C41 C38 156(8) 2_665 . . 2_665 ?
C37 C36 C41 C38 168(4) . . . 2_665 ?
C42 C36 C41 C38 -32(6) . . . 2_665 ?
C41 C36 C41 C38 153(5) 2_665 . . 2_665 ?
C39 C36 C41 C37 -132(7) 2_665 . . 2_665 ?
C40 C36 C41 C37 37(10) 2_665 . . 2_665 ?
C37 C36 C41 C37 49(8) . . . 2_665 ?
C42 C36 C41 C37 -151(5) . . . 2_665 ?
C38 C36 C41 C37 -119(8) 2_665 . . 2_665 ?
C41 C36 C41 C37 33(5) 2_665 . . 2_665 ?
C39 C36 C41 C40 -164(5) 2_665 . . . ?
C40 C36 C41 C40 5(10) 2_665 . . . ?
C37 C36 C41 C40 17(6) . . . . ?
C42 C36 C41 C40 178(3) . . . . ?
C38 C36 C41 C40 -151(6) 2_665 . . . ?
C41 C36 C41 C40 2(4) 2_665 . . . ?
C40 C36 C41 C39 169(12) 2_665 . . 2_665 ?
C37 C36 C41 C39 -179(8) . . . 2_665 ?
C42 C36 C41 C39 -19(4) . . . 2_665 ?
C38 C36 C41 C39 13(7) 2_665 . . 2_665 ?
C41 C36 C41 C39 165(7) 2_665 . . 2_665 ?
C39 C36 C41 C36 -165(7) 2_665 . . 2_665 ?
C40 C36 C41 C36 4(7) 2_665 . . 2_665 ?
C37 C36 C41 C36 16(3) . . . 2_665 ?
C42 C36 C41 C36 176(4) . . . 2_665 ?
C38 C36 C41 C36 -153(5) 2_665 . . 2_665 ?
C41 C36 C41 C36 0.000(2) 2_665 . . 2_665 ?
C40 C36 C42 C39 -152(11) 2_665 . . 2_665 ?
C37 C36 C42 C39 -169(10) . . . 2_665 ?
C41 C36 C42 C39 33(7) . . . 2_665 ?
C38 C36 C42 C39 17(7) 2_665 . . 2_665 ?
C41 C36 C42 C39 -154(12) 2_665 . . 2_665 ?
C39 C36 C42 C40 152(11) 2_665 . . 2_665 ?
C37 C36 C42 C40 -16(4) . . . 2_665 ?
C41 C36 C42 C40 -174(7) . . . 2_665 ?
C38 C36 C42 C40 169(6) 2_665 . . 2_665 ?
C41 C36 C42 C40 -2(3) 2_665 . . 2_665 ?
