#------------------------------------------------------------------------------
#$Date: 2022-04-26 02:08:06 +0300 (Tue, 26 Apr 2022) $
#$Revision: 274672 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/01/7710119.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_7710119
loop_
_publ_author_name
'Trifonov, Alexander'
'Tolpygin, Aleksei'
'Sachkova, Anastasia'
'Mikhailychev, Alexander'
'Ob’edkov, A. M.'
'Glukhova, Tatyana'
'Cherkasov, Anton'
'Fukin, Georgii K.'
_publ_section_title
;
 Sc and Y bis(alkyl) complexes supported by bi- and tridentate amidinate
 ligands. Synthesis, structure and catalytic activity in polymerization of
 isoprene and 1-heptene.
;
_journal_name_full               'Dalton Transactions'
_journal_paper_doi               10.1039/D2DT00866A
_journal_year                    2022
_chemical_formula_moiety         'C33 H57 N2 O Si2 Y'
_chemical_formula_sum            'C33 H57 N2 O Si2 Y'
_chemical_formula_weight         642.89
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2022-02-25 deposited with the CCDC.	2022-04-25 downloaded from the CCDC.
;
_cell_angle_alpha                94.646(2)
_cell_angle_beta                 99.027(2)
_cell_angle_gamma                111.260(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1445(5)
_cell_length_b                   11.4646(5)
_cell_length_c                   15.5390(7)
_cell_measurement_reflns_used    9887
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.88
_cell_measurement_theta_min      2.19
_cell_volume                     1806.72(14)
_computing_cell_refinement       'Saint 8.38a'
_computing_data_collection       APEX3
_computing_data_reduction        'Saint 8.38a'
_computing_structure_refinement  'SHELXL 2018/3'
_computing_structure_solution    'SHELXT 2018/2'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker D8 Quest (CMOS)'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0412
_diffrn_reflns_av_unetI/netI     0.0538
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.996
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            19408
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.996
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.091
_diffrn_reflns_theta_min         2.001
_diffrn_source                   'microfocus source'
_exptl_absorpt_coefficient_mu    1.705
_exptl_absorpt_correction_T_max  0.746
_exptl_absorpt_correction_T_min  0.582
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.182
_exptl_crystal_description       plate
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.360
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.090
_refine_diff_density_max         0.624
_refine_diff_density_min         -0.682
_refine_diff_density_rms         0.062
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     627
_refine_ls_number_reflns         7928
_refine_ls_number_restraints     1084
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0554
_refine_ls_R_factor_gt           0.0384
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0484P)²+0.2643P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0879
_refine_ls_wR_factor_ref         0.0940
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6387
_reflns_number_total             7928
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d2dt00866a2.cif
_cod_data_source_block           yamsime3
_cod_database_code               7710119
_shelx_shelxl_version_number     2018/3
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.579
_shelx_estimated_absorpt_t_max   0.862
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Y1 Y 0.66547(2) 0.32239(2) 0.28095(2) 0.02374(8) Uani 1 1 d D . . . .
N1 N 0.8377(7) 0.2671(7) 0.2575(6) 0.025(2) Uani 0.491(3) 1 d D U P A 1
N2 N 0.7911(7) 0.4072(7) 0.1834(5) 0.0228(18) Uani 0.491(3) 1 d D U P A 1
C1 C 0.8681(7) 0.3414(7) 0.1966(5) 0.0188(18) Uani 0.491(3) 1 d D U P A 1
C2 C 0.9766(5) 0.3513(5) 0.1429(3) 0.0197(13) Uani 0.491(3) 1 d D U P A 1
C3 C 0.9122(7) 0.3171(7) 0.0448(3) 0.0222(16) Uani 0.491(3) 1 d D U P A 1
H3A H 0.871698 0.377133 0.028303 0.033 Uiso 0.491(3) 1 calc R U P A 1
H3B H 0.844704 0.231228 0.033674 0.033 Uiso 0.491(3) 1 calc R U P A 1
H3C H 0.979095 0.321208 0.009789 0.033 Uiso 0.491(3) 1 calc R U P A 1
C4 C 1.0813(7) 0.4853(6) 0.1596(5) 0.0228(16) Uani 0.491(3) 1 d D U P A 1
H4A H 1.041931 0.543869 0.137945 0.034 Uiso 0.491(3) 1 calc R U P A 1
H4B H 1.152075 0.487490 0.128676 0.034 Uiso 0.491(3) 1 calc R U P A 1
H4C H 1.117228 0.510698 0.223017 0.034 Uiso 0.491(3) 1 calc R U P A 1
C5 C 1.0463(6) 0.2597(6) 0.1640(6) 0.0266(16) Uani 0.491(3) 1 d D U P A 1
H5A H 1.088809 0.279205 0.226503 0.040 Uiso 0.491(3) 1 calc R U P A 1
H5B H 1.112767 0.269413 0.127749 0.040 Uiso 0.491(3) 1 calc R U P A 1
H5C H 0.981620 0.172442 0.151284 0.040 Uiso 0.491(3) 1 calc R U P A 1
C6 C 0.8938(6) 0.1910(4) 0.3017(4) 0.0214(17) Uani 0.491(3) 1 d DG U P A 1
C7 C 0.9959(8) 0.2455(4) 0.3746(5) 0.025(2) Uani 0.491(3) 1 d DG U P A 1
C8 C 1.0466(8) 0.1697(6) 0.4214(5) 0.033(2) Uani 0.491(3) 1 d DG U P A 1
H8A H 1.116314 0.206997 0.471206 0.039 Uiso 0.491(3) 1 calc R U P A 1
C9 C 0.9952(5) 0.0395(6) 0.3954(4) 0.0364(18) Uani 0.491(3) 1 d DG U P A 1
H9A H 1.029779 -0.012345 0.427343 0.044 Uiso 0.491(3) 1 calc R U P A 1
C10 C 0.8931(4) -0.0151(4) 0.3225(3) 0.0269(13) Uani 0.491(3) 1 d DG U P A 1
H10A H 0.857951 -0.104104 0.304681 0.032 Uiso 0.491(3) 1 calc R U P A 1
C11 C 0.8424(4) 0.0607(4) 0.2757(3) 0.0216(13) Uani 0.491(3) 1 d DG U P A 1
C12 C 1.048(2) 0.3857(9) 0.4056(14) 0.034(4) Uani 0.491(3) 1 d D U P A 1
H12A H 1.099398 0.404420 0.465897 0.051 Uiso 0.491(3) 1 calc R U P A 1
H12B H 0.974749 0.413687 0.404401 0.051 Uiso 0.491(3) 1 calc R U P A 1
H12C H 1.104695 0.430458 0.366656 0.051 Uiso 0.491(3) 1 calc R U P A 1
C13 C 0.7307(5) -0.0008(5) 0.1973(3) 0.0297(13) Uani 0.491(3) 1 d D U P A 1
H13A H 0.699951 -0.093023 0.193610 0.045 Uiso 0.491(3) 1 calc R U P A 1
H13B H 0.761330 0.024395 0.143321 0.045 Uiso 0.491(3) 1 calc R U P A 1
H13C H 0.658434 0.026376 0.204052 0.045 Uiso 0.491(3) 1 calc R U P A 1
C14 C 0.7850(5) 0.5027(4) 0.1322(3) 0.0186(14) Uani 0.491(3) 1 d DG U P A 1
C15 C 0.6932(5) 0.4699(3) 0.0536(3) 0.0140(12) Uani 0.491(3) 1 d DG U P A 1
C16 C 0.6798(4) 0.5635(4) 0.0060(3) 0.0188(13) Uani 0.491(3) 1 d DG U P A 1
H16A H 0.617106 0.541076 -0.047688 0.023 Uiso 0.491(3) 1 calc R U P A 1
C17 C 0.7581(5) 0.6899(4) 0.0370(3) 0.0162(13) Uani 0.491(3) 1 d DG U P A 1
H17A H 0.748916 0.753923 0.004450 0.019 Uiso 0.491(3) 1 calc R U P A 1
C18 C 0.8498(5) 0.7227(3) 0.1155(3) 0.0154(12) Uani 0.491(3) 1 d DG U P A 1
H18A H 0.903338 0.809146 0.136711 0.018 Uiso 0.491(3) 1 calc R U P A 1
C19 C 0.8633(5) 0.6291(4) 0.1631(3) 0.0200(13) Uani 0.491(3) 1 d DG U P A 1
C20 C 0.6006(6) 0.3350(5) 0.0219(4) 0.0220(13) Uani 0.491(3) 1 d D U P A 1
H20A H 0.651005 0.282703 0.011132 0.033 Uiso 0.491(3) 1 calc R U P A 1
H20B H 0.541008 0.330750 -0.032852 0.033 Uiso 0.491(3) 1 calc R U P A 1
H20C H 0.549312 0.303481 0.066851 0.033 Uiso 0.491(3) 1 calc R U P A 1
C21 C 0.9529(14) 0.6732(9) 0.2539(6) 0.0217(18) Uani 0.491(3) 1 d D U P A 1
H21A H 1.033531 0.743935 0.250648 0.033 Uiso 0.491(3) 1 calc R U P A 1
H21B H 0.975035 0.603200 0.273719 0.033 Uiso 0.491(3) 1 calc R U P A 1
H21C H 0.907686 0.700866 0.295644 0.033 Uiso 0.491(3) 1 calc R U P A 1
C22 C 0.4334(5) 0.1975(5) 0.2160(3) 0.0241(11) Uani 0.491(3) 1 d D U P A 1
H22A H 0.389548 0.195352 0.266883 0.029 Uiso 0.491(3) 1 calc R U P A 1
H22B H 0.407365 0.254905 0.179775 0.029 Uiso 0.491(3) 1 calc R U P A 1
Si1 Si 0.33794(17) 0.03699(17) 0.14897(16) 0.0210(4) Uani 0.491(3) 1 d D U P A 1
C23 C 0.1611(7) 0.0078(13) 0.1066(6) 0.031(2) Uani 0.491(3) 1 d D U P A 1
H23A H 0.118692 0.015051 0.156298 0.046 Uiso 0.491(3) 1 calc R U P A 1
H23B H 0.116630 -0.077367 0.072689 0.046 Uiso 0.491(3) 1 calc R U P A 1
H23C H 0.155489 0.070532 0.068499 0.046 Uiso 0.491(3) 1 calc R U P A 1
C24 C 0.3393(6) -0.0904(5) 0.2173(3) 0.0364(14) Uani 0.491(3) 1 d D U P A 1
H24A H 0.306205 -0.077814 0.270692 0.055 Uiso 0.491(3) 1 calc R U P A 1
H24B H 0.429302 -0.086686 0.233735 0.055 Uiso 0.491(3) 1 calc R U P A 1
H24C H 0.282977 -0.173362 0.183119 0.055 Uiso 0.491(3) 1 calc R U P A 1
C25 C 0.4097(4) 0.0131(4) 0.0508(3) 0.0269(11) Uani 0.491(3) 1 d D U P A 1
H25A H 0.396969 0.069164 0.009034 0.040 Uiso 0.491(3) 1 calc R U P A 1
H25B H 0.365879 -0.075146 0.022247 0.040 Uiso 0.491(3) 1 calc R U P A 1
H25C H 0.503938 0.032808 0.069952 0.040 Uiso 0.491(3) 1 calc R U P A 1
N1* N 0.8565(7) 0.2866(7) 0.2553(5) 0.0262(19) Uani 0.509(3) 1 d D U P A 2
N2* N 0.8110(6) 0.4304(7) 0.1901(5) 0.0215(17) Uani 0.509(3) 1 d D U P A 2
C1* C 0.8967(7) 0.3716(7) 0.2009(5) 0.0196(17) Uani 0.509(3) 1 d D U P A 2
C2* C 1.0107(5) 0.3909(6) 0.1509(3) 0.0191(13) Uani 0.509(3) 1 d D U P A 2
C3* C 0.9537(7) 0.3584(7) 0.0516(4) 0.0289(18) Uani 0.509(3) 1 d D U P A 2
H3D H 1.023669 0.361529 0.019570 0.043 Uiso 0.509(3) 1 calc R U P A 2
H3E H 0.916239 0.419825 0.033123 0.043 Uiso 0.509(3) 1 calc R U P A 2
H3F H 0.884850 0.273194 0.038534 0.043 Uiso 0.509(3) 1 calc R U P A 2
C4* C 1.1102(7) 0.5277(6) 0.1708(5) 0.0255(14) Uani 0.509(3) 1 d D U P A 2
H4D H 1.182865 0.535754 0.140371 0.038 Uiso 0.509(3) 1 calc R U P A 2
H4E H 1.144458 0.550902 0.234480 0.038 Uiso 0.509(3) 1 calc R U P A 2
H4F H 1.067173 0.584117 0.150350 0.038 Uiso 0.509(3) 1 calc R U P A 2
C5* C 1.0888(6) 0.3059(6) 0.1722(5) 0.0267(16) Uani 0.509(3) 1 d D U P A 2
H5D H 1.156399 0.320841 0.136320 0.040 Uiso 0.509(3) 1 calc R U P A 2
H5E H 1.028795 0.216808 0.158841 0.040 Uiso 0.509(3) 1 calc R U P A 2
H5F H 1.130662 0.326211 0.234758 0.040 Uiso 0.509(3) 1 calc R U P A 2
C6* C 0.9225(6) 0.2118(4) 0.2929(4) 0.0168(14) Uani 0.509(3) 1 d DG U P A 2
C7* C 1.0136(8) 0.2623(4) 0.3716(5) 0.0215(18) Uani 0.509(3) 1 d DG U P A 2
C8* C 1.0658(8) 0.1858(6) 0.4163(4) 0.0320(19) Uani 0.509(3) 1 d DG U P A 2
H8B H 1.128029 0.220226 0.470116 0.038 Uiso 0.509(3) 1 calc R U P A 2
C9* C 1.0269(6) 0.0588(5) 0.3822(3) 0.0378(19) Uani 0.509(3) 1 d DG U P A 2
H9B H 1.062530 0.006498 0.412793 0.045 Uiso 0.509(3) 1 calc R U P A 2
C10* C 0.9358(5) 0.0083(4) 0.3035(3) 0.0354(15) Uani 0.509(3) 1 d DG U P A 2
H10B H 0.909163 -0.078422 0.280237 0.043 Uiso 0.509(3) 1 calc R U P A 2
C11* C 0.8836(4) 0.0849(4) 0.2588(2) 0.0239(13) Uani 0.509(3) 1 d DG U P A 2
C12* C 1.054(3) 0.3989(9) 0.4098(14) 0.030(4) Uani 0.509(3) 1 d D U P A 2
H12D H 1.114482 0.417187 0.466688 0.045 Uiso 0.509(3) 1 calc R U P A 2
H12E H 0.975860 0.415329 0.418325 0.045 Uiso 0.509(3) 1 calc R U P A 2
H12F H 1.097698 0.453220 0.369368 0.045 Uiso 0.509(3) 1 calc R U P A 2
C13* C 0.7837(6) 0.0280(6) 0.1737(3) 0.0374(14) Uani 0.509(3) 1 d D U P A 2
H13D H 0.752990 -0.064532 0.166939 0.056 Uiso 0.509(3) 1 calc R U P A 2
H13E H 0.824355 0.058062 0.123995 0.056 Uiso 0.509(3) 1 calc R U P A 2
H13F H 0.708979 0.053518 0.174968 0.056 Uiso 0.509(3) 1 calc R U P A 2
C14* C 0.8172(5) 0.5317(4) 0.1398(3) 0.0156(12) Uani 0.509(3) 1 d DG U P A 2
C15* C 0.7349(5) 0.5062(4) 0.0577(3) 0.0222(13) Uani 0.509(3) 1 d DG U P A 2
C16* C 0.7239(5) 0.6053(4) 0.0155(3) 0.0240(14) Uani 0.509(3) 1 d DG U P A 2
H16B H 0.667620 0.587939 -0.040640 0.029 Uiso 0.509(3) 1 calc R U P A 2
C17* C 0.7952(6) 0.7298(4) 0.0553(4) 0.0286(16) Uani 0.509(3) 1 d DG U P A 2
H17B H 0.787737 0.797523 0.026433 0.034 Uiso 0.509(3) 1 calc R U P A 2
C18* C 0.8776(6) 0.7552(4) 0.1374(4) 0.0256(14) Uani 0.509(3) 1 d DG U P A 2
H18B H 0.926331 0.840328 0.164609 0.031 Uiso 0.509(3) 1 calc R U P A 2
C19* C 0.8885(6) 0.6562(5) 0.1796(3) 0.0166(12) Uani 0.509(3) 1 d DG U P A 2
C20* C 0.6517(6) 0.3736(5) 0.0127(4) 0.0311(15) Uani 0.509(3) 1 d D U P A 2
H20D H 0.666860 0.312994 0.049700 0.047 Uiso 0.509(3) 1 calc R U P A 2
H20E H 0.675350 0.359631 -0.044289 0.047 Uiso 0.509(3) 1 calc R U P A 2
H20F H 0.558724 0.361650 0.003427 0.047 Uiso 0.509(3) 1 calc R U P A 2
C21* C 0.9774(15) 0.6914(9) 0.2704(6) 0.0271(19) Uani 0.509(3) 1 d D U P A 2
H21D H 0.951416 0.746825 0.308319 0.041 Uiso 0.509(3) 1 calc R U P A 2
H21E H 1.068745 0.735691 0.265051 0.041 Uiso 0.509(3) 1 calc R U P A 2
H21F H 0.969135 0.614419 0.296330 0.041 Uiso 0.509(3) 1 calc R U P A 2
C22* C 0.4744(5) 0.1978(5) 0.1790(3) 0.0284(11) Uani 0.509(3) 1 d D U P A 2
H22C H 0.428830 0.255459 0.163992 0.034 Uiso 0.509(3) 1 calc R U P A 2
H22D H 0.504832 0.177544 0.125267 0.034 Uiso 0.509(3) 1 calc R U P A 2
Si1* Si 0.34653(17) 0.05186(16) 0.19102(17) 0.0234(4) Uani 0.509(3) 1 d . U P A
2
C23* C 0.2943(5) 0.0672(5) 0.2992(3) 0.0371(13) Uani 0.509(3) 1 d D U P A 2
H23D H 0.370371 0.089284 0.347551 0.056 Uiso 0.509(3) 1 calc R U P A 2
H23E H 0.226674 -0.013363 0.305057 0.056 Uiso 0.509(3) 1 calc R U P A 2
H23F H 0.258734 0.133780 0.301452 0.056 Uiso 0.509(3) 1 calc R U P A 2
C24* C 0.4022(6) -0.0847(6) 0.1870(4) 0.0438(15) Uani 0.509(3) 1 d D U P A 2
H24D H 0.472628 -0.070120 0.238001 0.066 Uiso 0.509(3) 1 calc R U P A 2
H24E H 0.435019 -0.091965 0.132638 0.066 Uiso 0.509(3) 1 calc R U P A 2
H24F H 0.328091 -0.163147 0.188139 0.066 Uiso 0.509(3) 1 calc R U P A 2
C25* C 0.1934(9) -0.0006(13) 0.1022(6) 0.033(2) Uani 0.509(3) 1 d D U P A 2
H25D H 0.217334 -0.002728 0.044206 0.050 Uiso 0.509(3) 1 calc R U P A 2
H25E H 0.149456 0.058918 0.107912 0.050 Uiso 0.509(3) 1 calc R U P A 2
H25F H 0.133908 -0.085376 0.108361 0.050 Uiso 0.509(3) 1 calc R U P A 2
C26 C 0.6775(2) 0.5101(2) 0.36901(14) 0.0225(5) Uani 1 1 d . . . . .
H26A H 0.672835 0.490645 0.429609 0.027 Uiso 1 1 calc R U . . .
H26B H 0.765783 0.575719 0.371921 0.027 Uiso 1 1 calc R U . . .
Si2 Si 0.55777(6) 0.58202(6) 0.33828(4) 0.02455(15) Uani 1 1 d . . . . .
C27 C 0.5368(3) 0.5987(3) 0.21879(16) 0.0377(6) Uani 1 1 d . . . . .
H27A H 0.505697 0.515022 0.183166 0.057 Uiso 1 1 calc R U . . .
H27B H 0.621248 0.652436 0.206200 0.057 Uiso 1 1 calc R U . . .
H27C H 0.472388 0.637550 0.204350 0.057 Uiso 1 1 calc R U . . .
C28 C 0.6014(3) 0.7439(3) 0.40013(19) 0.0524(8) Uani 1 1 d . . . . .
H28A H 0.685895 0.801025 0.389613 0.079 Uiso 1 1 calc R U . . .
H28B H 0.608140 0.739305 0.463311 0.079 Uiso 1 1 calc R U . . .
H28C H 0.533107 0.775876 0.379794 0.079 Uiso 1 1 calc R U . . .
C29 C 0.3947(3) 0.4799(3) 0.3593(2) 0.0611(10) Uani 1 1 d . . . . .
H29A H 0.365426 0.395730 0.324623 0.092 Uiso 1 1 calc R U . . .
H29B H 0.330495 0.518087 0.342177 0.092 Uiso 1 1 calc R U . . .
H29C H 0.402558 0.472318 0.422105 0.092 Uiso 1 1 calc R U . . .
O1 O 0.6842(15) 0.2269(16) 0.4082(8) 0.019(2) Uani 0.491(3) 1 d D U P A 1
C30 C 0.7402(6) 0.2856(7) 0.4998(5) 0.0243(15) Uani 0.491(3) 1 d . U P A 1
H30A H 0.706482 0.351227 0.516576 0.029 Uiso 0.491(3) 1 calc R U P A 1
H30B H 0.837369 0.324274 0.510135 0.029 Uiso 0.491(3) 1 calc R U P A 1
C31 C 0.6960(12) 0.1790(15) 0.5490(10) 0.049(3) Uani 0.491(3) 1 d . U P A 1
H31A H 0.605494 0.161295 0.558106 0.059 Uiso 0.491(3) 1 calc R U P A 1
H31B H 0.755563 0.195063 0.606824 0.059 Uiso 0.491(3) 1 calc R U P A 1
C32 C 0.7022(11) 0.0641(10) 0.4842(8) 0.039(3) Uani 0.491(3) 1 d . U P A 1
H32A H 0.791359 0.079522 0.473093 0.047 Uiso 0.491(3) 1 calc R U P A 1
H32B H 0.664297 -0.019403 0.503634 0.047 Uiso 0.491(3) 1 calc R U P A 1
C33 C 0.6161(6) 0.0828(7) 0.4112(5) 0.0244(15) Uani 0.491(3) 1 d . U P A 1
H33A H 0.526163 0.061364 0.422639 0.029 Uiso 0.491(3) 1 calc R U P A 1
H33B H 0.611764 0.031551 0.355524 0.029 Uiso 0.491(3) 1 calc R U P A 1
O1* O 0.6564(14) 0.2144(16) 0.4038(8) 0.019(2) Uani 0.509(3) 1 d D U P A 2
C30* C 0.6827(9) 0.2755(7) 0.4894(5) 0.0418(19) Uani 0.509(3) 1 d . U P A 2
H30C H 0.601971 0.280106 0.505775 0.050 Uiso 0.509(3) 1 calc R U P A 2
H30D H 0.749737 0.362431 0.496312 0.050 Uiso 0.509(3) 1 calc R U P A 2
C31* C 0.7402(11) 0.1842(14) 0.5528(9) 0.039(2) Uani 0.509(3) 1 d . U P A 2
H31C H 0.830879 0.233273 0.585845 0.047 Uiso 0.509(3) 1 calc R U P A 2
H31D H 0.683016 0.150729 0.595143 0.047 Uiso 0.509(3) 1 calc R U P A 2
C32* C 0.7370(9) 0.0946(9) 0.4970(7) 0.0306(19) Uani 0.509(3) 1 d . U P A 2
H32C H 0.690909 0.012832 0.516457 0.037 Uiso 0.509(3) 1 calc R U P A 2
H32D H 0.828294 0.102215 0.496480 0.037 Uiso 0.509(3) 1 calc R U P A 2
C33* C 0.6694(7) 0.0926(7) 0.4034(5) 0.0284(15) Uani 0.509(3) 1 d . U P A 2
H33C H 0.723201 0.082173 0.360554 0.034 Uiso 0.509(3) 1 calc R U P A 2
H33D H 0.582080 0.022428 0.387605 0.034 Uiso 0.509(3) 1 calc R U P A 2
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
_geom_angle_publ_flag
N2 Y1 N1 57.99(15) . . ?
N2 Y1 O1 138.1(4) . . ?
N1 Y1 O1 82.9(5) . . ?
C22* Y1 O1* 104.5(4) . . ?
C22* Y1 N2* 103.1(2) . . ?
O1* Y1 N2* 142.5(4) . . ?
C22* Y1 N1* 113.5(3) . . ?
O1* Y1 N1* 91.5(5) . . ?
N2* Y1 N1* 54.01(14) . . ?
N2 Y1 C26 101.1(2) . . ?
N1 Y1 C26 127.2(3) . . ?
C22* Y1 C26 120.75(15) . . ?
O1 Y1 C26 90.4(5) . . ?
O1* Y1 C26 91.4(5) . . ?
N2* Y1 C26 95.87(19) . . ?
N1* Y1 C26 122.8(2) . . ?
N2 Y1 C22 114.9(3) . . ?
N1 Y1 C22 124.9(3) . . ?
O1 Y1 C22 99.1(4) . . ?
C26 Y1 C22 107.86(13) . . ?
N2 Y1 C1 29.09(11) . . ?
N1 Y1 C1 28.92(11) . . ?
O1 Y1 C1 110.8(5) . . ?
C26 Y1 C1 117.61(19) . . ?
C22 Y1 C1 124.1(2) . . ?
C22* Y1 C1* 110.5(2) . . ?
O1* Y1 C1* 117.3(5) . . ?
N2* Y1 C1* 27.13(10) . . ?
N1* Y1 C1* 26.88(11) . . ?
C26 Y1 C1* 111.28(17) . . ?
C1 N1 C6 135.2(5) . . ?
C1 N1 Y1 94.2(3) . . ?
C6 N1 Y1 130.3(4) . . ?
C1 N2 C14 135.9(5) . . ?
C1 N2 Y1 95.5(3) . . ?
C14 N2 Y1 128.5(4) . . ?
N1 C1 N2 112.3(4) . . ?
N1 C1 C2 125.7(4) . . ?
N2 C1 C2 122.0(4) . . ?
N1 C1 Y1 56.9(2) . . ?
N2 C1 Y1 55.4(2) . . ?
C2 C1 Y1 176.2(4) . . ?
C4 C2 C3 109.1(4) . . ?
C4 C2 C5 107.8(4) . . ?
C3 C2 C5 107.4(4) . . ?
C4 C2 C1 111.1(4) . . ?
C3 C2 C1 108.3(4) . . ?
C5 C2 C1 113.1(4) . . ?
C2 C3 H3A 109.5 . . ?
C2 C3 H3B 109.5 . . ?
H3A C3 H3B 109.5 . . ?
C2 C3 H3C 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C2 C4 H4A 109.5 . . ?
C2 C4 H4B 109.5 . . ?
H4A C4 H4B 109.5 . . ?
C2 C4 H4C 109.5 . . ?
H4A C4 H4C 109.5 . . ?
H4B C4 H4C 109.5 . . ?
C2 C5 H5A 109.5 . . ?
C2 C5 H5B 109.5 . . ?
H5A C5 H5B 109.5 . . ?
C2 C5 H5C 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
C7 C6 C11 120.0 . . ?
C7 C6 N1 119.8(3) . . ?
C11 C6 N1 120.1(3) . . ?
C8 C7 C6 120.0 . . ?
C8 C7 C12 119.6(3) . . ?
C6 C7 C12 120.4(3) . . ?
C7 C8 C9 120.0 . . ?
C7 C8 H8A 120.0 . . ?
C9 C8 H8A 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9A 120.0 . . ?
C8 C9 H9A 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10A 120.0 . . ?
C11 C10 H10A 120.0 . . ?
C10 C11 C6 120.0 . . ?
C10 C11 C13 119.0(3) . . ?
C6 C11 C13 121.0(3) . . ?
C7 C12 H12A 109.5 . . ?
C7 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C7 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C15 C14 C19 120.0 . . ?
C15 C14 N2 119.5(3) . . ?
C19 C14 N2 120.4(3) . . ?
C14 C15 C16 120.0 . . ?
C14 C15 C20 121.1(3) . . ?
C16 C15 C20 118.7(3) . . ?
C17 C16 C15 120.0 . . ?
C17 C16 H16A 120.0 . . ?
C15 C16 H16A 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17A 120.0 . . ?
C18 C17 H17A 120.0 . . ?
C19 C18 C17 120.0 . . ?
C19 C18 H18A 120.0 . . ?
C17 C18 H18A 120.0 . . ?
C18 C19 C14 120.0 . . ?
C18 C19 C21 116.8(3) . . ?
C14 C19 C21 122.7(3) . . ?
C15 C20 H20A 109.5 . . ?
C15 C20 H20B 109.5 . . ?
H20A C20 H20B 109.5 . . ?
C15 C20 H20C 109.5 . . ?
H20A C20 H20C 109.5 . . ?
H20B C20 H20C 109.5 . . ?
C19 C21 H21A 109.5 . . ?
C19 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C19 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
Si1 C22 Y1 135.7(3) . . ?
Si1 C22 H22A 103.2 . . ?
Y1 C22 H22A 103.2 . . ?
Si1 C22 H22B 103.2 . . ?
Y1 C22 H22B 103.2 . . ?
H22A C22 H22B 105.2 . . ?
C23 Si1 C25 107.0(3) . . ?
C23 Si1 C24 106.6(4) . . ?
C25 Si1 C24 107.7(3) . . ?
C23 Si1 C22 113.4(5) . . ?
C25 Si1 C22 111.6(2) . . ?
C24 Si1 C22 110.4(3) . . ?
Si1 C23 H23A 109.5 . . ?
Si1 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
Si1 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
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 . . ?
C1* N1* C6* 127.8(4) . . ?
C1* N1* Y1 99.3(3) . . ?
C6* N1* Y1 132.5(4) . . ?
C1* N2* C14* 127.2(4) . . ?
C1* N2* Y1 99.2(3) . . ?
C14* N2* Y1 133.5(3) . . ?
N1* C1* N2* 107.5(4) . . ?
N1* C1* C2* 127.2(4) . . ?
N2* C1* C2* 125.1(4) . . ?
N1* C1* Y1 53.8(2) . . ?
N2* C1* Y1 53.6(2) . . ?
C2* C1* Y1 174.9(5) . . ?
C4* C2* C3* 108.7(4) . . ?
C4* C2* C5* 106.8(4) . . ?
C3* C2* C5* 106.5(4) . . ?
C4* C2* C1* 111.6(4) . . ?
C3* C2* C1* 108.8(4) . . ?
C5* C2* C1* 114.3(4) . . ?
C2* C3* H3D 109.5 . . ?
C2* C3* H3E 109.5 . . ?
H3D C3* H3E 109.5 . . ?
C2* C3* H3F 109.5 . . ?
H3D C3* H3F 109.5 . . ?
H3E C3* H3F 109.5 . . ?
C2* C4* H4D 109.5 . . ?
C2* C4* H4E 109.5 . . ?
H4D C4* H4E 109.5 . . ?
C2* C4* H4F 109.5 . . ?
H4D C4* H4F 109.5 . . ?
H4E C4* H4F 109.5 . . ?
C2* C5* H5D 109.5 . . ?
C2* C5* H5E 109.5 . . ?
H5D C5* H5E 109.5 . . ?
C2* C5* H5F 109.5 . . ?
H5D C5* H5F 109.5 . . ?
H5E C5* H5F 109.5 . . ?
C7* C6* C11* 120.0 . . ?
C7* C6* N1* 118.7(3) . . ?
C11* C6* N1* 120.6(3) . . ?
C8* C7* C6* 120.0 . . ?
C8* C7* C12* 119.7(3) . . ?
C6* C7* C12* 120.3(3) . . ?
C7* C8* C9* 120.0 . . ?
C7* C8* H8B 120.0 . . ?
C9* C8* H8B 120.0 . . ?
C10* C9* C8* 120.0 . . ?
C10* C9* H9B 120.0 . . ?
C8* C9* H9B 120.0 . . ?
C9* C10* C11* 120.0 . . ?
C9* C10* H10B 120.0 . . ?
C11* C10* H10B 120.0 . . ?
C10* C11* C6* 120.0 . . ?
C10* C11* C13* 119.2(3) . . ?
C6* C11* C13* 120.8(3) . . ?
C7* C12* H12D 109.5 . . ?
C7* C12* H12E 109.5 . . ?
H12D C12* H12E 109.5 . . ?
C7* C12* H12F 109.5 . . ?
H12D C12* H12F 109.5 . . ?
H12E C12* H12F 109.5 . . ?
C11* C13* H13D 109.5 . . ?
C11* C13* H13E 109.5 . . ?
H13D C13* H13E 109.5 . . ?
C11* C13* H13F 109.5 . . ?
H13D C13* H13F 109.5 . . ?
H13E C13* H13F 109.5 . . ?
C15* C14* C19* 120.0 . . ?
C15* C14* N2* 119.7(3) . . ?
C19* C14* N2* 119.4(3) . . ?
C14* C15* C16* 120.0 . . ?
C14* C15* C20* 122.4(3) . . ?
C16* C15* C20* 117.5(3) . . ?
C17* C16* C15* 120.0 . . ?
C17* C16* H16B 120.0 . . ?
C15* C16* H16B 120.0 . . ?
C18* C17* C16* 120.0 . . ?
C18* C17* H17B 120.0 . . ?
C16* C17* H17B 120.0 . . ?
C17* C18* C19* 120.0 . . ?
C17* C18* H18B 120.0 . . ?
C19* C18* H18B 120.0 . . ?
C18* C19* C14* 120.0 . . ?
C18* C19* C21* 116.9(3) . . ?
C14* C19* C21* 123.1(3) . . ?
C15* C20* H20D 109.5 . . ?
C15* C20* H20E 109.5 . . ?
H20D C20* H20E 109.5 . . ?
C15* C20* H20F 109.5 . . ?
H20D C20* H20F 109.5 . . ?
H20E C20* H20F 109.5 . . ?
C19* C21* H21D 109.5 . . ?
C19* C21* H21E 109.5 . . ?
H21D C21* H21E 109.5 . . ?
C19* C21* H21F 109.5 . . ?
H21D C21* H21F 109.5 . . ?
H21E C21* H21F 109.5 . . ?
Si1* C22* Y1 128.2(3) . . ?
Si1* C22* H22C 105.2 . . ?
Y1 C22* H22C 105.2 . . ?
Si1* C22* H22D 105.2 . . ?
Y1 C22* H22D 105.2 . . ?
H22C C22* H22D 106.0 . . ?
C22* Si1* C23* 110.8(3) . . ?
C22* Si1* C24* 112.0(3) . . ?
C23* Si1* C24* 107.6(3) . . ?
C22* Si1* C25* 114.2(4) . . ?
C23* Si1* C25* 106.8(3) . . ?
C24* Si1* C25* 105.1(4) . . ?
Si1* C23* H23D 109.5 . . ?
Si1* C23* H23E 109.5 . . ?
H23D C23* H23E 109.5 . . ?
Si1* C23* H23F 109.5 . . ?
H23D C23* H23F 109.5 . . ?
H23E C23* H23F 109.5 . . ?
Si1* C24* H24D 109.5 . . ?
Si1* C24* H24E 109.5 . . ?
H24D C24* H24E 109.5 . . ?
Si1* C24* H24F 109.5 . . ?
H24D C24* H24F 109.5 . . ?
H24E C24* H24F 109.5 . . ?
Si1* C25* H25D 109.5 . . ?
Si1* C25* H25E 109.5 . . ?
H25D C25* H25E 109.5 . . ?
Si1* C25* H25F 109.5 . . ?
H25D C25* H25F 109.5 . . ?
H25E C25* H25F 109.5 . . ?
Si2 C26 Y1 120.49(11) . . ?
Si2 C26 H26A 107.2 . . ?
Y1 C26 H26A 107.2 . . ?
Si2 C26 H26B 107.2 . . ?
Y1 C26 H26B 107.2 . . ?
H26A C26 H26B 106.8 . . ?
C26 Si2 C29 109.59(12) . . ?
C26 Si2 C27 111.34(11) . . ?
C29 Si2 C27 107.98(14) . . ?
C26 Si2 C28 114.43(12) . . ?
C29 Si2 C28 106.99(16) . . ?
C27 Si2 C28 106.21(12) . . ?
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 . . ?
C30 O1 C33 105.5(5) . . ?
C30 O1 Y1 129.5(10) . . ?
C33 O1 Y1 124.4(8) . . ?
O1 C30 C31 103.2(8) . . ?
O1 C30 H30A 111.1 . . ?
C31 C30 H30A 111.1 . . ?
O1 C30 H30B 111.1 . . ?
C31 C30 H30B 111.1 . . ?
H30A C30 H30B 109.1 . . ?
C30 C31 C32 102.1(11) . . ?
C30 C31 H31A 111.4 . . ?
C32 C31 H31A 111.4 . . ?
C30 C31 H31B 111.4 . . ?
C32 C31 H31B 111.4 . . ?
H31A C31 H31B 109.2 . . ?
C33 C32 C31 92.1(9) . . ?
C33 C32 H32A 113.3 . . ?
C31 C32 H32A 113.3 . . ?
C33 C32 H32B 113.3 . . ?
C31 C32 H32B 113.3 . . ?
H32A C32 H32B 110.6 . . ?
C32 C33 O1 102.1(7) . . ?
C32 C33 H33A 111.3 . . ?
O1 C33 H33A 111.3 . . ?
C32 C33 H33B 111.3 . . ?
O1 C33 H33B 111.3 . . ?
H33A C33 H33B 109.2 . . ?
C30* O1* C33* 110.7(6) . . ?
C30* O1* Y1 122.6(10) . . ?
C33* O1* Y1 123.4(11) . . ?
O1* C30* C31* 104.4(9) . . ?
O1* C30* H30C 110.9 . . ?
C31* C30* H30C 110.9 . . ?
O1* C30* H30D 110.9 . . ?
C31* C30* H30D 110.9 . . ?
H30C C30* H30D 108.9 . . ?
C32* C31* C30* 103.9(10) . . ?
C32* C31* H31C 111.0 . . ?
C30* C31* H31C 111.0 . . ?
C32* C31* H31D 111.0 . . ?
C30* C31* H31D 111.0 . . ?
H31C C31* H31D 109.0 . . ?
C31* C32* C33* 114.2(9) . . ?
C31* C32* H32C 108.7 . . ?
C33* C32* H32C 108.7 . . ?
C31* C32* H32D 108.7 . . ?
C33* C32* H32D 108.7 . . ?
H32C C32* H32D 107.6 . . ?
O1* C33* C32* 105.2(8) . . ?
O1* C33* H33C 110.7 . . ?
C32* C33* H33C 110.7 . . ?
O1* C33* H33D 110.7 . . ?
C32* C33* H33D 110.7 . . ?
H33C C33* H33D 108.8 . . ?
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 N2 2.262(5) . ?
Y1 N1 2.298(5) . ?
Y1 C22* 2.335(4) . ?
Y1 O1 2.354(5) . ?
Y1 O1* 2.354(5) . ?
Y1 N2* 2.388(4) . ?
Y1 N1* 2.395(4) . ?
Y1 C26 2.404(2) . ?
Y1 C22 2.454(4) . ?
Y1 C1 2.736(5) . ?
Y1 C1* 2.927(5) . ?
N1 C1 1.326(5) . ?
N1 C6 1.408(3) . ?
N2 C1 1.336(4) . ?
N2 C14 1.420(3) . ?
C1 C2 1.550(5) . ?
C2 C4 1.527(6) . ?
C2 C3 1.532(5) . ?
C2 C5 1.543(4) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C4 H4A 0.9800 . ?
C4 H4B 0.9800 . ?
C4 H4C 0.9800 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C6 C7 1.3900 . ?
C6 C11 1.3900 . ?
C7 C8 1.3900 . ?
C7 C12 1.504(5) . ?
C8 C9 1.3900 . ?
C8 H8A 0.9500 . ?
C9 C10 1.3900 . ?
C9 H9A 0.9500 . ?
C10 C11 1.3900 . ?
C10 H10A 0.9500 . ?
C11 C13 1.510(4) . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C15 1.3900 . ?
C14 C19 1.3900 . ?
C15 C16 1.3900 . ?
C15 C20 1.503(4) . ?
C16 C17 1.3900 . ?
C16 H16A 0.9500 . ?
C17 C18 1.3900 . ?
C17 H17A 0.9500 . ?
C18 C19 1.3900 . ?
C18 H18A 0.9500 . ?
C19 C21 1.522(5) . ?
C20 H20A 0.9800 . ?
C20 H20B 0.9800 . ?
C20 H20C 0.9800 . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 Si1 1.878(5) . ?
C22 H22A 0.9900 . ?
C22 H22B 0.9900 . ?
Si1 C23 1.873(5) . ?
Si1 C25 1.875(4) . ?
Si1 C24 1.877(4) . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
C24 H24A 0.9800 . ?
C24 H24B 0.9800 . ?
C24 H24C 0.9800 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
N1* C1* 1.341(5) . ?
N1* C6* 1.421(3) . ?
N2* C1* 1.352(4) . ?
N2* C14* 1.439(3) . ?
C1* C2* 1.550(5) . ?
C2* C4* 1.529(6) . ?
C2* C3* 1.534(5) . ?
C2* C5* 1.547(4) . ?
C3* H3D 0.9800 . ?
C3* H3E 0.9800 . ?
C3* H3F 0.9800 . ?
C4* H4D 0.9800 . ?
C4* H4E 0.9800 . ?
C4* H4F 0.9800 . ?
C5* H5D 0.9800 . ?
C5* H5E 0.9800 . ?
C5* H5F 0.9800 . ?
C6* C7* 1.3900 . ?
C6* C11* 1.3900 . ?
C7* C8* 1.3900 . ?
C7* C12* 1.505(5) . ?
C8* C9* 1.3900 . ?
C8* H8B 0.9500 . ?
C9* C10* 1.3900 . ?
C9* H9B 0.9500 . ?
C10* C11* 1.3900 . ?
C10* H10B 0.9500 . ?
C11* C13* 1.512(4) . ?
C12* H12D 0.9800 . ?
C12* H12E 0.9800 . ?
C12* H12F 0.9800 . ?
C13* H13D 0.9800 . ?
C13* H13E 0.9800 . ?
C13* H13F 0.9800 . ?
C14* C15* 1.3900 . ?
C14* C19* 1.3900 . ?
C15* C16* 1.3900 . ?
C15* C20* 1.504(5) . ?
C16* C17* 1.3900 . ?
C16* H16B 0.9500 . ?
C17* C18* 1.3900 . ?
C17* H17B 0.9500 . ?
C18* C19* 1.3900 . ?
C18* H18B 0.9500 . ?
C19* C21* 1.521(5) . ?
C20* H20D 0.9800 . ?
C20* H20E 0.9800 . ?
C20* H20F 0.9800 . ?
C21* H21D 0.9800 . ?
C21* H21E 0.9800 . ?
C21* H21F 0.9800 . ?
C22* Si1* 1.809(5) . ?
C22* H22C 0.9900 . ?
C22* H22D 0.9900 . ?
Si1* C23* 1.878(5) . ?
Si1* C24* 1.882(5) . ?
Si1* C25* 1.887(8) . ?
C23* H23D 0.9800 . ?
C23* H23E 0.9800 . ?
C23* H23F 0.9800 . ?
C24* H24D 0.9800 . ?
C24* H24E 0.9800 . ?
C24* H24F 0.9800 . ?
C25* H25D 0.9800 . ?
C25* H25E 0.9800 . ?
C25* H25F 0.9800 . ?
C26 Si2 1.830(2) . ?
C26 H26A 0.9900 . ?
C26 H26B 0.9900 . ?
Si2 C29 1.867(3) . ?
Si2 C27 1.869(2) . ?
Si2 C28 1.874(3) . ?
C27 H27A 0.9800 . ?
C27 H27B 0.9800 . ?
C27 H27C 0.9800 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
O1 C30 1.459(16) . ?
O1 C33 1.556(17) . ?
C30 C31 1.467(18) . ?
C30 H30A 0.9900 . ?
C30 H30B 0.9900 . ?
C31 C32 1.62(2) . ?
C31 H31A 0.9900 . ?
C31 H31B 0.9900 . ?
C32 C33 1.449(13) . ?
C32 H32A 0.9900 . ?
C32 H32B 0.9900 . ?
C33 H33A 0.9900 . ?
C33 H33B 0.9900 . ?
O1* C30* 1.388(18) . ?
O1* C33* 1.45(2) . ?
C30* C31* 1.713(16) . ?
C30* H30C 0.9900 . ?
C30* H30D 0.9900 . ?
C31* C32* 1.276(18) . ?
C31* H31C 0.9900 . ?
C31* H31D 0.9900 . ?
C32* C33* 1.524(12) . ?
C32* H32C 0.9900 . ?
C32* H32D 0.9900 . ?
C33* H33C 0.9900 . ?
C33* H33D 0.9900 . ?
