#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:38:46 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179855 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/51/7015137.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_7015137
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 H65 N4 Si4 Y, 0.5(C6 H14)'
_chemical_formula_sum            'C38 H72 N4 Si4 Y'
_chemical_formula_weight         786.27
_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                104.788(14)
_cell_angle_beta                 108.411(6)
_cell_angle_gamma                100.221(13)
_cell_formula_units_Z            2
_cell_length_a                   12.393(6)
_cell_length_b                   13.632(8)
_cell_length_c                   15.539(8)
_cell_measurement_reflns_used    8872
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.3
_cell_measurement_theta_min      3.1
_cell_volume                     2311(2)
_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  0.0554
_diffrn_reflns_av_sigmaI/netI    0.0742
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            21645
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    1.393
_exptl_absorpt_correction_T_max  0.6057
_exptl_absorpt_correction_T_min  0.4019
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.130
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             846
_exptl_crystal_size_max          0.80
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.40
_refine_diff_density_max         1.017
_refine_diff_density_min         -0.815
_refine_diff_density_rms         0.073
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.117
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     403
_refine_ls_number_reflns         8376
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.117
_refine_ls_R_factor_all          0.1043
_refine_ls_R_factor_gt           0.0790
_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)+(0.0694P)²+2.4431P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1641
_refine_ls_wR_factor_ref         0.1781
_reflns_number_gt                6520
_reflns_number_total             8376
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0dt01241f.txt
_cod_data_source_block           shelxl
_cod_database_code               7015137
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 0.53318(4) 0.23978(4) 0.27305(3) 0.03825(17) Uani 1 1 d . . .
Si1 Si 0.29038(13) 0.00406(12) 0.18120(11) 0.0495(4) Uani 1 1 d . . .
Si2 Si 0.27148(13) 0.21937(13) 0.27008(11) 0.0501(4) Uani 1 1 d . . .
Si3 Si 0.65070(15) 0.50115(12) 0.27804(12) 0.0542(4) Uani 1 1 d . . .
Si4 Si 0.51942(14) 0.32039(12) 0.09358(11) 0.0503(4) Uani 1 1 d . . .
N1 N 0.6793(4) 0.1542(3) 0.3010(3) 0.0412(10) Uani 1 1 d . . .
N2 N 0.6648(4) 0.2634(3) 0.4274(3) 0.0424(10) Uani 1 1 d . . .
N3 N 0.3504(3) 0.1383(3) 0.2325(3) 0.0408(10) Uani 1 1 d . . .
N4 N 0.5702(4) 0.3710(3) 0.2155(3) 0.0445(10) Uani 1 1 d . . .
C1 C 0.7207(4) 0.1949(4) 0.3968(4) 0.0403(11) Uani 1 1 d . . .
C2 C 0.7282(4) 0.0803(4) 0.2520(3) 0.0422(12) Uani 1 1 d . . .
C3 C 0.8005(5) 0.1159(5) 0.2058(4) 0.0500(13) Uani 1 1 d . . .
C4 C 0.8432(5) 0.0444(6) 0.1562(4) 0.0647(17) Uani 1 1 d . . .
H4 H 0.8909 0.0673 0.1254 0.078 Uiso 1 1 calc R . .
C5 C 0.8179(6) -0.0597(6) 0.1506(5) 0.075(2) Uani 1 1 d . . .
H5 H 0.8487 -0.1063 0.1169 0.091 Uiso 1 1 calc R . .
C6 C 0.7473(6) -0.0942(5) 0.1947(4) 0.0670(18) Uani 1 1 d . . .
H6 H 0.7298 -0.1649 0.1904 0.080 Uiso 1 1 calc R . .
C7 C 0.7009(5) -0.0265(4) 0.2458(4) 0.0487(13) Uani 1 1 d . . .
C8 C 0.8308(6) 0.2293(5) 0.2105(5) 0.0706(18) Uani 1 1 d . . .
H8A H 0.8821 0.2392 0.1764 0.106 Uiso 1 1 calc R . .
H8B H 0.8701 0.2742 0.2764 0.106 Uiso 1 1 calc R . .
H8C H 0.7594 0.2469 0.1815 0.106 Uiso 1 1 calc R . .
C9 C 0.6234(6) -0.0682(5) 0.2940(5) 0.0676(17) Uani 1 1 d . . .
H9A H 0.5719 -0.1370 0.2527 0.101 Uiso 1 1 calc R . .
H9B H 0.5766 -0.0211 0.3061 0.101 Uiso 1 1 calc R . .
H9C H 0.6723 -0.0728 0.3537 0.101 Uiso 1 1 calc R . .
C10 C 0.6868(7) 0.3128(6) 0.5250(5) 0.0813(10) Uani 1 1 d . . .
C11 C 0.7752(7) 0.4079(6) 0.5825(5) 0.0813(10) Uani 1 1 d . . .
C12 C 0.7906(7) 0.4539(6) 0.6791(5) 0.0813(10) Uani 1 1 d . . .
H12 H 0.8499 0.5163 0.7182 0.098 Uiso 1 1 calc R . .
C13 C 0.7182(7) 0.4063(6) 0.7138(5) 0.0813(10) Uani 1 1 d . . .
H13 H 0.7304 0.4366 0.7782 0.098 Uiso 1 1 calc R . .
C14 C 0.6284(7) 0.3170(6) 0.6608(5) 0.0813(10) Uani 1 1 d . . .
H14 H 0.5786 0.2885 0.6876 0.098 Uiso 1 1 calc R . .
C15 C 0.6122(7) 0.2688(6) 0.5662(5) 0.0813(10) Uani 1 1 d . . .
C16 C 0.8531(6) 0.4610(5) 0.5415(6) 0.094(3) Uani 1 1 d . . .
H16A H 0.8305 0.4205 0.4751 0.141 Uiso 1 1 calc R . .
H16B H 0.9341 0.4659 0.5765 0.141 Uiso 1 1 calc R . .
H16C H 0.8446 0.5307 0.5468 0.141 Uiso 1 1 calc R . .
C17 C 0.5151(6) 0.1670(7) 0.5077(5) 0.090(2) Uani 1 1 d . . .
H17A H 0.4699 0.1716 0.4467 0.135 Uiso 1 1 calc R . .
H17B H 0.4640 0.1553 0.5416 0.135 Uiso 1 1 calc R . .
H17C H 0.5494 0.1094 0.4974 0.135 Uiso 1 1 calc R . .
C18 C 0.8227(4) 0.1646(4) 0.4592(4) 0.0430(12) Uani 1 1 d . . .
H18 H 0.8196 0.0955 0.4181 0.052 Uiso 1 1 calc R . .
C19 C 0.9426(5) 0.2347(5) 0.4781(5) 0.0607(16) Uani 1 1 d . . .
H19A H 0.9560 0.3039 0.5231 0.073 Uiso 1 1 calc R . .
H19B H 0.9446 0.2435 0.4186 0.073 Uiso 1 1 calc R . .
C20 C 1.0396(5) 0.1858(6) 0.5195(5) 0.0675(17) Uani 1 1 d . . .
H20A H 1.0328 0.1222 0.4701 0.081 Uiso 1 1 calc R . .
H20B H 1.1162 0.2350 0.5372 0.081 Uiso 1 1 calc R . .
C21 C 1.0343(5) 0.1584(6) 0.6056(5) 0.0735(19) Uani 1 1 d . . .
H21A H 1.0903 0.1184 0.6227 0.088 Uiso 1 1 calc R . .
H21B H 1.0578 0.2230 0.6595 0.088 Uiso 1 1 calc R . .
C22 C 0.9142(6) 0.0955(6) 0.5888(5) 0.0711(18) Uani 1 1 d . . .
H22A H 0.9131 0.0882 0.6491 0.085 Uiso 1 1 calc R . .
H22B H 0.8973 0.0252 0.5442 0.085 Uiso 1 1 calc R . .
C23 C 0.8171(5) 0.1452(6) 0.5486(5) 0.0679(18) Uani 1 1 d . . .
H23A H 0.7402 0.0984 0.5339 0.082 Uiso 1 1 calc R . .
H23B H 0.8273 0.2116 0.5963 0.082 Uiso 1 1 calc R . .
C24 C 0.1300(5) -0.0351(5) 0.1019(5) 0.078(2) Uani 1 1 d . . .
H24A H 0.0853 -0.0127 0.1397 0.117 Uiso 1 1 calc R . .
H24B H 0.1022 -0.1105 0.0719 0.117 Uiso 1 1 calc R . .
H24C H 0.1201 -0.0022 0.0532 0.117 Uiso 1 1 calc R . .
C25 C 0.3662(6) -0.0569(5) 0.1034(5) 0.0660(17) Uani 1 1 d . . .
H25A H 0.3402 -0.0433 0.0436 0.099 Uiso 1 1 calc R . .
H25B H 0.3469 -0.1318 0.0911 0.099 Uiso 1 1 calc R . .
H25C H 0.4504 -0.0268 0.1358 0.099 Uiso 1 1 calc R . .
C26 C 0.3021(6) -0.0622(5) 0.2734(5) 0.0758(19) Uani 1 1 d . . .
H26A H 0.3841 -0.0523 0.3101 0.114 Uiso 1 1 calc R . .
H26B H 0.2628 -0.1364 0.2422 0.114 Uiso 1 1 calc R . .
H26C H 0.2654 -0.0321 0.3156 0.114 Uiso 1 1 calc R . .
C27 C 0.1883(6) 0.1750(6) 0.3406(5) 0.077(2) Uani 1 1 d . . .
H27A H 0.1269 0.1107 0.3003 0.115 Uiso 1 1 calc R . .
H27B H 0.1536 0.2286 0.3636 0.115 Uiso 1 1 calc R . .
H27C H 0.2415 0.1627 0.3943 0.115 Uiso 1 1 calc R . .
C28 C 0.1649(5) 0.2485(5) 0.1701(5) 0.0727(18) Uani 1 1 d . . .
H28A H 0.2082 0.2940 0.1469 0.109 Uiso 1 1 calc R . .
H28B H 0.1137 0.2829 0.1937 0.109 Uiso 1 1 calc R . .
H28C H 0.1183 0.1836 0.1187 0.109 Uiso 1 1 calc R . .
C29 C 0.3847(5) 0.3492(5) 0.3515(4) 0.0601(15) Uani 1 1 d . . .
H29A H 0.4423 0.3378 0.4032 0.090 Uiso 1 1 calc R . .
H29B H 0.3459 0.3974 0.3772 0.090 Uiso 1 1 calc R . .
H29C H 0.4235 0.3786 0.3154 0.090 Uiso 1 1 calc R . .
C30 C 0.6045(8) 0.5952(5) 0.2148(5) 0.089(2) Uani 1 1 d . . .
H30A H 0.6227 0.5823 0.1580 0.134 Uiso 1 1 calc R . .
H30B H 0.6462 0.6665 0.2568 0.134 Uiso 1 1 calc R . .
H30C H 0.5208 0.5853 0.1971 0.134 Uiso 1 1 calc R . .
C31 C 0.8111(6) 0.5157(6) 0.3001(6) 0.090(2) Uani 1 1 d . . .
H31A H 0.8401 0.4738 0.3384 0.136 Uiso 1 1 calc R . .
H31B H 0.8555 0.5886 0.3334 0.136 Uiso 1 1 calc R . .
H31C H 0.8201 0.4923 0.2396 0.136 Uiso 1 1 calc R . .
C32 C 0.6340(6) 0.5502(5) 0.3961(4) 0.0672(17) Uani 1 1 d . . .
H32A H 0.5564 0.5597 0.3849 0.101 Uiso 1 1 calc R . .
H32B H 0.6928 0.6165 0.4350 0.101 Uiso 1 1 calc R . .
H32C H 0.6443 0.4996 0.4289 0.101 Uiso 1 1 calc R . .
C33 C 0.4818(5) 0.1737(4) 0.0634(4) 0.0579(15) Uani 1 1 d . . .
H33A H 0.5502 0.1545 0.0963 0.087 Uiso 1 1 calc R . .
H33B H 0.4573 0.1407 -0.0048 0.087 Uiso 1 1 calc R . .
H33C H 0.4185 0.1504 0.0831 0.087 Uiso 1 1 calc R . .
C34 C 0.6264(6) 0.3577(5) 0.0381(5) 0.0715(18) Uani 1 1 d . . .
H34A H 0.6488 0.4331 0.0530 0.107 Uiso 1 1 calc R . .
H34B H 0.5901 0.3240 -0.0305 0.107 Uiso 1 1 calc R . .
H34C H 0.6956 0.3354 0.0630 0.107 Uiso 1 1 calc R . .
C35 C 0.3818(6) 0.3530(6) 0.0337(5) 0.077(2) Uani 1 1 d . . .
H35A H 0.3231 0.3309 0.0582 0.116 Uiso 1 1 calc R . .
H35B H 0.3525 0.3171 -0.0345 0.116 Uiso 1 1 calc R . .
H35C H 0.3988 0.4280 0.0463 0.116 Uiso 1 1 calc R . .
C36 C 1.043(5) 0.334(4) 0.861(4) 0.220(7) Uiso 0.50 1 d PD . .
C37 C 0.975(3) 0.356(3) 0.925(3) 0.220(7) Uiso 0.50 1 d PD . .
C38 C 1.035(3) 0.471(3) 0.936(2) 0.220(7) Uiso 0.50 1 d PD . .
C39 C 1.006(4) 0.540(3) 1.011(3) 0.220(7) Uiso 0.50 1 d PD . .
C40 C 0.938(3) 0.607(3) 1.053(3) 0.220(7) Uiso 0.50 1 d PD . .
C41 C 0.970(5) 0.695(4) 1.143(4) 0.220(7) 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
N3 Y1 N4 122.70(15) . . ?
N3 Y1 N1 114.64(15) . . ?
N4 Y1 N1 114.46(15) . . ?
N3 Y1 N2 114.71(15) . . ?
N4 Y1 N2 115.80(15) . . ?
N1 Y1 N2 57.07(14) . . ?
N3 Y1 C1 117.67(15) . . ?
N4 Y1 C1 119.61(15) . . ?
N1 Y1 C1 28.50(14) . . ?
N2 Y1 C1 28.59(14) . . ?
N3 Y1 Si2 30.85(11) . . ?
N4 Y1 Si2 105.00(11) . . ?
N1 Y1 Si2 140.19(11) . . ?
N2 Y1 Si2 110.15(11) . . ?
C1 Y1 Si2 128.74(11) . . ?
N3 Y1 Si4 104.64(11) . . ?
N4 Y1 Si4 29.98(11) . . ?
N1 Y1 Si4 109.84(11) . . ?
N2 Y1 Si4 140.48(11) . . ?
C1 Y1 Si4 129.76(11) . . ?
Si2 Y1 Si4 101.49(4) . . ?
N3 Si1 C26 111.9(3) . . ?
N3 Si1 C24 112.9(3) . . ?
C26 Si1 C24 106.9(3) . . ?
N3 Si1 C25 111.9(2) . . ?
C26 Si1 C25 106.9(3) . . ?
C24 Si1 C25 105.9(3) . . ?
N3 Si2 C27 115.8(3) . . ?
N3 Si2 C28 113.8(3) . . ?
C27 Si2 C28 107.5(3) . . ?
N3 Si2 C29 105.5(2) . . ?
C27 Si2 C29 107.1(3) . . ?
C28 Si2 C29 106.6(3) . . ?
N3 Si2 Y1 41.94(14) . . ?
C27 Si2 Y1 135.6(2) . . ?
C28 Si2 Y1 116.7(2) . . ?
C29 Si2 Y1 64.54(18) . . ?
N4 Si3 C30 114.1(3) . . ?
N4 Si3 C31 109.7(3) . . ?
C30 Si3 C31 107.2(4) . . ?
N4 Si3 C32 111.8(3) . . ?
C30 Si3 C32 104.5(3) . . ?
C31 Si3 C32 109.3(3) . . ?
N4 Si4 C35 112.7(3) . . ?
N4 Si4 C34 115.9(3) . . ?
C35 Si4 C34 107.5(3) . . ?
N4 Si4 C33 105.7(2) . . ?
C35 Si4 C33 107.4(3) . . ?
C34 Si4 C33 107.2(3) . . ?
N4 Si4 Y1 41.09(14) . . ?
C35 Si4 Y1 117.4(2) . . ?
C34 Si4 Y1 134.8(2) . . ?
C33 Si4 Y1 65.35(18) . . ?
C1 N1 C2 122.0(4) . . ?
C1 N1 Y1 95.9(3) . . ?
C2 N1 Y1 142.1(3) . . ?
C1 N2 C10 123.8(4) . . ?
C1 N2 Y1 94.6(3) . . ?
C10 N2 Y1 141.2(4) . . ?
Si2 N3 Si1 121.7(2) . . ?
Si2 N3 Y1 107.2(2) . . ?
Si1 N3 Y1 130.9(2) . . ?
Si4 N4 Si3 122.1(2) . . ?
Si4 N4 Y1 108.9(2) . . ?
Si3 N4 Y1 128.6(2) . . ?
N1 C1 N2 112.4(4) . . ?
N1 C1 C18 120.8(4) . . ?
N2 C1 C18 126.8(5) . . ?
N1 C1 Y1 55.6(2) . . ?
N2 C1 Y1 56.8(2) . . ?
C18 C1 Y1 176.4(4) . . ?
C7 C2 C3 119.8(5) . . ?
C7 C2 N1 121.5(5) . . ?
C3 C2 N1 118.6(5) . . ?
C4 C3 C2 118.4(6) . . ?
C4 C3 C8 120.4(6) . . ?
C2 C3 C8 121.2(5) . . ?
C3 C4 C5 122.1(6) . . ?
C3 C4 H4 118.9 . . ?
C5 C4 H4 118.9 . . ?
C6 C5 C4 119.4(6) . . ?
C6 C5 H5 120.3 . . ?
C4 C5 H5 120.3 . . ?
C5 C6 C7 121.6(6) . . ?
C5 C6 H6 119.2 . . ?
C7 C6 H6 119.2 . . ?
C6 C7 C2 118.7(6) . . ?
C6 C7 C9 119.7(6) . . ?
C2 C7 C9 121.6(5) . . ?
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 . . ?
C11 C10 N2 123.1(7) . . ?
C11 C10 C15 117.8(7) . . ?
N2 C10 C15 119.0(7) . . ?
C10 C11 C12 120.0(8) . . ?
C10 C11 C16 120.3(6) . . ?
C12 C11 C16 119.7(8) . . ?
C13 C12 C11 118.8(8) . . ?
C13 C12 H12 120.6 . . ?
C11 C12 H12 120.6 . . ?
C12 C13 C14 123.9(7) . . ?
C12 C13 H13 118.0 . . ?
C14 C13 H13 118.0 . . ?
C13 C14 C15 118.7(8) . . ?
C13 C14 H14 120.7 . . ?
C15 C14 H14 120.7 . . ?
C14 C15 C10 120.7(8) . . ?
C14 C15 C17 119.0(8) . . ?
C10 C15 C17 120.2(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 111.5(5) . . ?
C23 C18 C1 118.8(4) . . ?
C19 C18 C1 112.6(4) . . ?
C23 C18 H18 104.1 . . ?
C19 C18 H18 104.1 . . ?
C1 C18 H18 104.1 . . ?
C18 C19 C20 110.0(5) . . ?
C18 C19 H19A 109.7 . . ?
C20 C19 H19A 109.7 . . ?
C18 C19 H19B 109.7 . . ?
C20 C19 H19B 109.7 . . ?
H19A C19 H19B 108.2 . . ?
C21 C20 C19 113.2(5) . . ?
C21 C20 H20A 108.9 . . ?
C19 C20 H20A 108.9 . . ?
C21 C20 H20B 108.9 . . ?
C19 C20 H20B 108.9 . . ?
H20A C20 H20B 107.8 . . ?
C22 C21 C20 112.5(5) . . ?
C22 C21 H21A 109.1 . . ?
C20 C21 H21A 109.1 . . ?
C22 C21 H21B 109.1 . . ?
C20 C21 H21B 109.1 . . ?
H21A C21 H21B 107.8 . . ?
C21 C22 C23 113.0(5) . . ?
C21 C22 H22A 109.0 . . ?
C23 C22 H22A 109.0 . . ?
C21 C22 H22B 109.0 . . ?
C23 C22 H22B 109.0 . . ?
H22A C22 H22B 107.8 . . ?
C18 C23 C22 110.0(5) . . ?
C18 C23 H23A 109.7 . . ?
C22 C23 H23A 109.7 . . ?
C18 C23 H23B 109.7 . . ?
C22 C23 H23B 109.7 . . ?
H23A C23 H23B 108.2 . . ?
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 . . ?
C41 C36 C40 111(10) 2_767 2_767 ?
C41 C36 C37 85(10) 2_767 . ?
C40 C36 C37 41(2) 2_767 . ?
C40 C37 C39 74(3) 2_767 2_767 ?
C40 C37 C36 58(4) 2_767 . ?
C39 C37 C36 123(3) 2_767 . ?
C40 C37 C41 68(3) 2_767 2_767 ?
C39 C37 C41 137(4) 2_767 2_767 ?
C36 C37 C41 14(4) . 2_767 ?
C40 C37 C38 51(3) 2_767 . ?
C39 C37 C38 44(2) 2_767 . ?
C36 C37 C38 80(3) . . ?
C41 C37 C38 95(4) 2_767 . ?
C39 C38 C40 81(3) 2_767 2_767 ?
C39 C38 C39 44(4) 2_767 . ?
C40 C38 C39 120(4) 2_767 . ?
C39 C38 C37 63(2) 2_767 . ?
C40 C38 C37 41(2) 2_767 . ?
C39 C38 C37 106(3) . . ?
C39 C39 C38 88(4) 2_767 2_767 ?
C39 C39 C37 159(6) 2_767 2_767 ?
C38 C39 C37 74(3) 2_767 2_767 ?
C39 C39 C38 48(3) 2_767 . ?
C38 C39 C38 136(4) 2_767 . ?
C37 C39 C38 149(4) 2_767 . ?
C39 C39 C40 132(6) 2_767 . ?
C38 C39 C40 52(3) 2_767 . ?
C37 C39 C40 40(2) 2_767 . ?
C38 C39 C40 158(4) . . ?
C37 C40 C38 89(4) 2_767 2_767 ?
C37 C40 C36 81(4) 2_767 2_767 ?
C38 C40 C36 104(5) 2_767 2_767 ?
C37 C40 C41 73(4) 2_767 . ?
C38 C40 C41 115(4) 2_767 . ?
C36 C40 C41 14(4) 2_767 . ?
C37 C40 C39 66(3) 2_767 . ?
C38 C40 C39 47(3) 2_767 . ?
C36 C40 C39 134(5) 2_767 . ?
C41 C40 C39 134(4) . . ?
C36 C41 C40 55(10) 2_767 . ?
C36 C41 C37 81(10) 2_767 2_767 ?
C40 C41 C37 39(2) . 2_767 ?
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 N3 2.232(4) . ?
Y1 N4 2.235(4) . ?
Y1 N1 2.311(4) . ?
Y1 N2 2.338(4) . ?
Y1 C1 2.785(5) . ?
Y1 Si2 3.190(2) . ?
Y1 Si4 3.216(2) . ?
Si1 N3 1.714(4) . ?
Si1 C26 1.862(6) . ?
Si1 C24 1.870(6) . ?
Si1 C25 1.875(6) . ?
Si2 N3 1.712(4) . ?
Si2 C27 1.860(6) . ?
Si2 C28 1.876(6) . ?
Si2 C29 1.886(6) . ?
Si3 N4 1.722(4) . ?
Si3 C30 1.867(6) . ?
Si3 C31 1.872(7) . ?
Si3 C32 1.876(6) . ?
Si4 N4 1.699(4) . ?
Si4 C35 1.857(6) . ?
Si4 C34 1.863(6) . ?
Si4 C33 1.868(6) . ?
N1 C1 1.336(6) . ?
N1 C2 1.441(6) . ?
N2 C1 1.337(6) . ?
N2 C10 1.407(8) . ?
C1 C18 1.524(7) . ?
C2 C7 1.406(7) . ?
C2 C3 1.408(7) . ?
C3 C4 1.371(8) . ?
C3 C8 1.501(8) . ?
C4 C5 1.372(9) . ?
C4 H4 0.9300 . ?
C5 C6 1.361(9) . ?
C5 H5 0.9300 . ?
C6 C7 1.384(8) . ?
C6 H6 0.9300 . ?
C7 C9 1.512(8) . ?
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 C11 1.402(11) . ?
C10 C15 1.413(11) . ?
C11 C12 1.406(9) . ?
C11 C16 1.496(11) . ?
C12 C13 1.339(10) . ?
C12 H12 0.9300 . ?
C13 C14 1.352(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.382(9) . ?
C14 H14 0.9300 . ?
C15 C17 1.507(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 1.499(7) . ?
C18 C19 1.512(7) . ?
C18 H18 0.9800 . ?
C19 C20 1.523(8) . ?
C19 H19A 0.9700 . ?
C19 H19B 0.9700 . ?
C20 C21 1.497(9) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
C21 C22 1.485(9) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C22 C23 1.526(8) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
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 C41 0.38(10) 2_767 ?
C36 C40 1.30(6) 2_767 ?
C36 C37 1.51(2) . ?
C37 C40 1.01(5) 2_767 ?
C37 C39 1.43(5) 2_767 ?
C37 C41 1.52(6) 2_767 ?
C37 C38 1.549(19) . ?
C38 C39 1.11(5) 2_767 ?
C38 C40 1.20(5) 2_767 ?
C38 C39 1.484(19) . ?
C39 C39 1.03(7) 2_767 ?
C39 C38 1.11(5) 2_767 ?
C39 C37 1.43(5) 2_767 ?
C39 C40 1.501(19) . ?
C40 C37 1.01(5) 2_767 ?
C40 C38 1.20(5) 2_767 ?
C40 C36 1.30(6) 2_767 ?
C40 C41 1.48(2) . ?
C41 C36 0.38(10) 2_767 ?
C41 C37 1.52(6) 2_767 ?
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 130.0(2) . . . . ?
N1 Y1 Si2 N3 -42.4(3) . . . . ?
N2 Y1 Si2 N3 -104.7(2) . . . . ?
C1 Y1 Si2 N3 -79.5(2) . . . . ?
Si4 Y1 Si2 N3 99.3(2) . . . . ?
N3 Y1 Si2 C27 78.1(4) . . . . ?
N4 Y1 Si2 C27 -151.9(3) . . . . ?
N1 Y1 Si2 C27 35.7(4) . . . . ?
N2 Y1 Si2 C27 -26.6(3) . . . . ?
C1 Y1 Si2 C27 -1.4(4) . . . . ?
Si4 Y1 Si2 C27 177.4(3) . . . . ?
N3 Y1 Si2 C28 -96.6(3) . . . . ?
N4 Y1 Si2 C28 33.4(3) . . . . ?
N1 Y1 Si2 C28 -138.9(3) . . . . ?
N2 Y1 Si2 C28 158.7(3) . . . . ?
C1 Y1 Si2 C28 -176.1(3) . . . . ?
Si4 Y1 Si2 C28 2.8(2) . . . . ?
N3 Y1 Si2 C29 166.9(3) . . . . ?
N4 Y1 Si2 C29 -63.1(3) . . . . ?
N1 Y1 Si2 C29 124.5(3) . . . . ?
N2 Y1 Si2 C29 62.2(2) . . . . ?
C1 Y1 Si2 C29 87.4(3) . . . . ?
Si4 Y1 Si2 C29 -93.8(2) . . . . ?
N3 Y1 Si4 N4 131.7(2) . . . . ?
N1 Y1 Si4 N4 -104.8(2) . . . . ?
N2 Y1 Si4 N4 -42.9(3) . . . . ?
C1 Y1 Si4 N4 -81.0(3) . . . . ?
Si2 Y1 Si4 N4 100.1(2) . . . . ?
N3 Y1 Si4 C35 37.8(3) . . . . ?
N4 Y1 Si4 C35 -93.8(3) . . . . ?
N1 Y1 Si4 C35 161.4(3) . . . . ?
N2 Y1 Si4 C35 -136.7(3) . . . . ?
C1 Y1 Si4 C35 -174.9(3) . . . . ?
Si2 Y1 Si4 C35 6.3(3) . . . . ?
N3 Y1 Si4 C34 -149.9(3) . . . . ?
N4 Y1 Si4 C34 78.4(4) . . . . ?
N1 Y1 Si4 C34 -26.4(3) . . . . ?
N2 Y1 Si4 C34 35.5(4) . . . . ?
C1 Y1 Si4 C34 -2.6(3) . . . . ?
Si2 Y1 Si4 C34 178.5(3) . . . . ?
N3 Y1 Si4 C33 -59.8(2) . . . . ?
N4 Y1 Si4 C33 168.5(3) . . . . ?
N1 Y1 Si4 C33 63.7(2) . . . . ?
N2 Y1 Si4 C33 125.6(3) . . . . ?
C1 Y1 Si4 C33 87.5(3) . . . . ?
Si2 Y1 Si4 C33 -91.3(2) . . . . ?
N3 Y1 N1 C1 -103.1(3) . . . . ?
N4 Y1 N1 C1 107.4(3) . . . . ?
N2 Y1 N1 C1 1.5(3) . . . . ?
Si2 Y1 N1 C1 -80.7(3) . . . . ?
Si4 Y1 N1 C1 139.5(3) . . . . ?
N3 Y1 N1 C2 75.6(6) . . . . ?
N4 Y1 N1 C2 -73.9(6) . . . . ?
N2 Y1 N1 C2 -179.9(6) . . . . ?
C1 Y1 N1 C2 178.6(7) . . . . ?
Si2 Y1 N1 C2 97.9(5) . . . . ?
Si4 Y1 N1 C2 -41.9(6) . . . . ?
N3 Y1 N2 C1 102.9(3) . . . . ?
N4 Y1 N2 C1 -105.1(3) . . . . ?
N1 Y1 N2 C1 -1.5(3) . . . . ?
Si2 Y1 N2 C1 136.0(3) . . . . ?
Si4 Y1 N2 C1 -82.9(3) . . . . ?
N3 Y1 N2 C10 -69.0(7) . . . . ?
N4 Y1 N2 C10 83.0(7) . . . . ?
N1 Y1 N2 C10 -173.5(8) . . . . ?
C1 Y1 N2 C10 -172.0(9) . . . . ?
Si2 Y1 N2 C10 -36.0(7) . . . . ?
Si4 Y1 N2 C10 105.2(7) . . . . ?
C27 Si2 N3 Si1 45.8(4) . . . . ?
C28 Si2 N3 Si1 -79.5(4) . . . . ?
C29 Si2 N3 Si1 164.0(3) . . . . ?
Y1 Si2 N3 Si1 176.3(4) . . . . ?
C27 Si2 N3 Y1 -130.5(3) . . . . ?
C28 Si2 N3 Y1 104.2(3) . . . . ?
C29 Si2 N3 Y1 -12.3(3) . . . . ?
C26 Si1 N3 Si2 -83.5(4) . . . . ?
C24 Si1 N3 Si2 37.1(4) . . . . ?
C25 Si1 N3 Si2 156.4(3) . . . . ?
C26 Si1 N3 Y1 91.8(4) . . . . ?
C24 Si1 N3 Y1 -147.6(3) . . . . ?
C25 Si1 N3 Y1 -28.2(4) . . . . ?
N4 Y1 N3 Si2 -61.6(3) . . . . ?
N1 Y1 N3 Si2 151.67(18) . . . . ?
N2 Y1 N3 Si2 88.2(2) . . . . ?
C1 Y1 N3 Si2 120.0(2) . . . . ?
Si4 Y1 N3 Si2 -87.96(19) . . . . ?
N4 Y1 N3 Si1 122.5(3) . . . . ?
N1 Y1 N3 Si1 -24.2(3) . . . . ?
N2 Y1 N3 Si1 -87.6(3) . . . . ?
C1 Y1 N3 Si1 -55.8(3) . . . . ?
Si2 Y1 N3 Si1 -175.8(4) . . . . ?
Si4 Y1 N3 Si1 96.2(3) . . . . ?
C35 Si4 N4 Si3 -80.2(4) . . . . ?
C34 Si4 N4 Si3 44.2(4) . . . . ?
C33 Si4 N4 Si3 162.7(3) . . . . ?
Y1 Si4 N4 Si3 173.6(4) . . . . ?
C35 Si4 N4 Y1 106.2(3) . . . . ?
C34 Si4 N4 Y1 -129.4(3) . . . . ?
C33 Si4 N4 Y1 -10.8(3) . . . . ?
C30 Si3 N4 Si4 35.1(4) . . . . ?
C31 Si3 N4 Si4 -85.2(4) . . . . ?
C32 Si3 N4 Si4 153.4(3) . . . . ?
C30 Si3 N4 Y1 -152.7(3) . . . . ?
C31 Si3 N4 Y1 87.0(4) . . . . ?
C32 Si3 N4 Y1 -34.4(4) . . . . ?
N3 Y1 N4 Si4 -59.2(3) . . . . ?
N1 Y1 N4 Si4 87.6(2) . . . . ?
N2 Y1 N4 Si4 151.25(19) . . . . ?
C1 Y1 N4 Si4 119.1(2) . . . . ?
Si2 Y1 N4 Si4 -87.0(2) . . . . ?
N3 Y1 N4 Si3 127.8(3) . . . . ?
N1 Y1 N4 Si3 -85.5(3) . . . . ?
N2 Y1 N4 Si3 -21.8(3) . . . . ?
C1 Y1 N4 Si3 -53.9(3) . . . . ?
Si2 Y1 N4 Si3 99.9(3) . . . . ?
Si4 Y1 N4 Si3 -173.0(5) . . . . ?
C2 N1 C1 N2 178.6(4) . . . . ?
Y1 N1 C1 N2 -2.3(4) . . . . ?
C2 N1 C1 C18 0.0(7) . . . . ?
Y1 N1 C1 C18 179.0(4) . . . . ?
C2 N1 C1 Y1 -179.0(5) . . . . ?
C10 N2 C1 N1 176.3(6) . . . . ?
Y1 N2 C1 N1 2.3(4) . . . . ?
C10 N2 C1 C18 -5.2(9) . . . . ?
Y1 N2 C1 C18 -179.1(4) . . . . ?
C10 N2 C1 Y1 174.0(6) . . . . ?
N3 Y1 C1 N1 91.2(3) . . . . ?
N4 Y1 C1 N1 -87.2(3) . . . . ?
N2 Y1 C1 N1 -177.4(5) . . . . ?
Si2 Y1 C1 N1 125.9(3) . . . . ?
Si4 Y1 C1 N1 -52.6(3) . . . . ?
N3 Y1 C1 N2 -91.4(3) . . . . ?
N4 Y1 C1 N2 90.2(3) . . . . ?
N1 Y1 C1 N2 177.4(5) . . . . ?
Si2 Y1 C1 N2 -56.7(3) . . . . ?
Si4 Y1 C1 N2 124.8(3) . . . . ?
N3 Y1 C1 C18 78(5) . . . . ?
N4 Y1 C1 C18 -101(5) . . . . ?
N1 Y1 C1 C18 -13(5) . . . . ?
N2 Y1 C1 C18 169(5) . . . . ?
Si2 Y1 C1 C18 113(5) . . . . ?
Si4 Y1 C1 C18 -66(5) . . . . ?
C1 N1 C2 C7 77.0(6) . . . . ?
Y1 N1 C2 C7 -101.4(6) . . . . ?
C1 N1 C2 C3 -105.8(5) . . . . ?
Y1 N1 C2 C3 75.7(7) . . . . ?
C7 C2 C3 C4 -0.4(7) . . . . ?
N1 C2 C3 C4 -177.6(5) . . . . ?
C7 C2 C3 C8 179.6(5) . . . . ?
N1 C2 C3 C8 2.4(7) . . . . ?
C2 C3 C4 C5 -0.1(9) . . . . ?
C8 C3 C4 C5 179.8(6) . . . . ?
C3 C4 C5 C6 0.6(10) . . . . ?
C4 C5 C6 C7 -0.4(10) . . . . ?
C5 C6 C7 C2 -0.1(9) . . . . ?
C5 C6 C7 C9 -179.7(6) . . . . ?
C3 C2 C7 C6 0.5(7) . . . . ?
N1 C2 C7 C6 177.6(5) . . . . ?
C3 C2 C7 C9 -179.8(5) . . . . ?
N1 C2 C7 C9 -2.7(7) . . . . ?
C1 N2 C10 C11 87.6(8) . . . . ?
Y1 N2 C10 C11 -102.0(8) . . . . ?
C1 N2 C10 C15 -96.5(7) . . . . ?
Y1 N2 C10 C15 73.9(9) . . . . ?
N2 C10 C11 C12 178.7(5) . . . . ?
C15 C10 C11 C12 2.7(9) . . . . ?
N2 C10 C11 C16 -1.1(10) . . . . ?
C15 C10 C11 C16 -177.0(6) . . . . ?
C10 C11 C12 C13 -1.2(10) . . . . ?
C16 C11 C12 C13 178.5(6) . . . . ?
C11 C12 C13 C14 -1.5(10) . . . . ?
C12 C13 C14 C15 2.6(10) . . . . ?
C13 C14 C15 C10 -0.9(10) . . . . ?
C13 C14 C15 C17 177.8(6) . . . . ?
C11 C10 C15 C14 -1.7(10) . . . . ?
N2 C10 C15 C14 -177.8(5) . . . . ?
C11 C10 C15 C17 179.6(6) . . . . ?
N2 C10 C15 C17 3.5(9) . . . . ?
N1 C1 C18 C23 -138.9(5) . . . . ?
N2 C1 C18 C23 42.6(8) . . . . ?
Y1 C1 C18 C23 -126(5) . . . . ?
N1 C1 C18 C19 88.2(6) . . . . ?
N2 C1 C18 C19 -90.2(6) . . . . ?
Y1 C1 C18 C19 101(5) . . . . ?
C23 C18 C19 C20 57.0(7) . . . . ?
C1 C18 C19 C20 -166.6(5) . . . . ?
C18 C19 C20 C21 -52.9(8) . . . . ?
C19 C20 C21 C22 50.5(8) . . . . ?
C20 C21 C22 C23 -51.1(8) . . . . ?
C19 C18 C23 C22 -57.7(7) . . . . ?
C1 C18 C23 C22 169.0(5) . . . . ?
C21 C22 C23 C18 54.6(8) . . . . ?
C41 C36 C37 C40 131(21) 2_767 . . 2_767 ?
C41 C36 C37 C39 169(18) 2_767 . . 2_767 ?
C40 C36 C37 C39 38(5) 2_767 . . 2_767 ?
C40 C36 C37 C41 -131(21) 2_767 . . 2_767 ?
C41 C36 C37 C38 -179(19) 2_767 . . . ?
C40 C36 C37 C38 49(3) 2_767 . . . ?
C40 C37 C38 C39 -109(5) 2_767 . . 2_767 ?
C36 C37 C38 C39 -166(5) . . . 2_767 ?
C41 C37 C38 C39 -166(5) 2_767 . . 2_767 ?
C39 C37 C38 C40 109(5) 2_767 . . 2_767 ?
C36 C37 C38 C40 -56(4) . . . 2_767 ?
C41 C37 C38 C40 -56(4) 2_767 . . 2_767 ?
C40 C37 C38 C39 -117(5) 2_767 . . . ?
C39 C37 C38 C39 -8(5) 2_767 . . . ?
C36 C37 C38 C39 -174(4) . . . . ?
C41 C37 C38 C39 -174(4) 2_767 . . . ?
C40 C38 C39 C39 -32(7) 2_767 . . 2_767 ?
C37 C38 C39 C39 10(6) . . . 2_767 ?
C39 C38 C39 C38 0.000(8) 2_767 . . 2_767 ?
C40 C38 C39 C38 -32(7) 2_767 . . 2_767 ?
C37 C38 C39 C38 10(6) . . . 2_767 ?
C39 C38 C39 C37 160(12) 2_767 . . 2_767 ?
C40 C38 C39 C37 128(7) 2_767 . . 2_767 ?
C37 C38 C39 C37 170(6) . . . 2_767 ?
C39 C38 C39 C40 -102(13) 2_767 . . . ?
C40 C38 C39 C40 -134(9) 2_767 . . . ?
C37 C38 C39 C40 -92(11) . . . . ?
C39 C39 C40 C37 151(9) 2_767 . . 2_767 ?
C38 C39 C40 C37 112(5) 2_767 . . 2_767 ?
C38 C39 C40 C37 -127(11) . . . 2_767 ?
C39 C39 C40 C38 39(8) 2_767 . . 2_767 ?
C37 C39 C40 C38 -112(5) 2_767 . . 2_767 ?
C38 C39 C40 C38 121(11) . . . 2_767 ?
C39 C39 C40 C36 103(10) 2_767 . . 2_767 ?
C38 C39 C40 C36 64(6) 2_767 . . 2_767 ?
C37 C39 C40 C36 -48(5) 2_767 . . 2_767 ?
C38 C39 C40 C36 -175(9) . . . 2_767 ?
C39 C39 C40 C41 122(9) 2_767 . . . ?
C38 C39 C40 C41 84(6) 2_767 . . . ?
C37 C39 C40 C41 -28(5) 2_767 . . . ?
C38 C39 C40 C41 -156(8) . . . . ?
C37 C40 C41 C36 -124(21) 2_767 . . 2_767 ?
C38 C40 C41 C36 -44(21) 2_767 . . 2_767 ?
C39 C40 C41 C36 -97(20) . . . 2_767 ?
C38 C40 C41 C37 80(4) 2_767 . . 2_767 ?
C36 C40 C41 C37 124(21) 2_767 . . 2_767 ?
C39 C40 C41 C37 27(5) . . . 2_767 ?
