#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:05:14 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179092 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/54/4305422.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_4305422
loop_
_publ_author_name
'Rachel H. Platel'
'Andrew J. P. White'
'Charlotte K. Williams'
_publ_section_title
;
A Series of Bis(phosphinic)diamido Yttrium Complexes As Initiators for
Lactide Polymerization
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6840
_journal_page_last               6849
_journal_paper_doi               10.1021/ic800419t
_journal_volume                  47
_journal_year                    2008
_chemical_formula_moiety         'C68 H88 N6 O4 P4 Si4 Y2'
_chemical_formula_sum            'C68 H88 N6 O4 P4 Si4 Y2'
_chemical_formula_weight         1467.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.425(3)
_cell_angle_beta                 94.826(2)
_cell_angle_gamma                117.684(3)
_cell_formula_units_Z            1
_cell_length_a                   12.5447(3)
_cell_length_b                   13.3084(4)
_cell_length_c                   13.3297(4)
_cell_measurement_reflns_used    13024
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      32.4392
_cell_measurement_theta_min      3.7211
_cell_volume                     1763.55(12)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 15.9863
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.881
_diffrn_measurement_device_type  'OD Xcalibur 3'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0724
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25979
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         32.55
_diffrn_reflns_theta_min         3.73
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.847
_exptl_absorpt_correction_T_max  0.790
_exptl_absorpt_correction_T_min  0.627
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details
; 
CrysAlis RED, Oxford Diffraction Ltd., 
Version 1.171.32.4 (release 27-04-2006 CrysAlis171 .NET) 
(compiled Apr 27 2007,17:53:11) 
Analytical numeric absorption correction using a multifaceted crystal 
model based on expressions derived by R.C. Clark & J.S. Reid. 
(Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) 
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.382
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       blocks
_exptl_crystal_F_000             764
_exptl_crystal_size_max          0.33
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.17
_refine_diff_density_max         0.449
_refine_diff_density_min         -0.476
_refine_diff_density_rms         0.083
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.132
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     430
_refine_ls_number_reflns         11274
_refine_ls_number_restraints     180
_refine_ls_restrained_S_all      1.164
_refine_ls_R_factor_all          0.0634
_refine_ls_R_factor_gt           0.0401
_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)+(0.0374P)²+0.9587P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0963
_refine_ls_wR_factor_ref         0.1059
_reflns_number_gt                8273
_reflns_number_total             11274
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800419t-file003_3.cif
_cod_data_source_block           Compound_16
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4305422
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
Y Y 0.36347(2) 0.40342(2) 0.368097(18) 0.01588(6) Uani 1 1 d . . .
O1 O 0.57340(16) 0.45179(16) 0.44899(13) 0.0178(3) Uani 1 1 d . . .
P2 P 0.59573(6) 0.39626(6) 0.33502(5) 0.01621(12) Uani 1 1 d . A .
N3 N 0.4823(2) 0.3647(2) 0.24450(17) 0.0263(5) Uani 1 1 d D . .
C4 C 0.4228(6) 0.3067(7) 0.1273(4) 0.0197(11) Uani 0.525(8) 1 d PD A 1
H4A H 0.3632 0.2156 0.1075 0.024 Uiso 0.525(8) 1 calc PR A 1
C5 C 0.3390(7) 0.3545(8) 0.1021(4) 0.0223(14) Uani 0.525(8) 1 d PD A 1
H5A H 0.3972 0.4416 0.1104 0.027 Uiso 0.525(8) 1 calc PR A 1
C4' C 0.4545(6) 0.3563(7) 0.1343(4) 0.0159(13) Uiso 0.475(8) 1 d PD A 2
H4'A H 0.5066 0.4442 0.1422 0.019 Uiso 0.475(8) 1 calc PR A 2
C5' C 0.3149(7) 0.3153(8) 0.0927(6) 0.023(2) Uiso 0.475(8) 1 d PD A 2
H5'A H 0.2625 0.2214 0.0632 0.028 Uiso 0.475(8) 1 calc PR A 2
N6 N 0.2787(2) 0.3684(2) 0.18769(17) 0.0233(5) Uani 1 1 d D . .
P7 P 0.18943(6) 0.41935(6) 0.22006(5) 0.01850(13) Uani 1 1 d . A .
O8 O 0.21730(17) 0.46199(17) 0.34675(14) 0.0214(4) Uani 1 1 d . . .
C9 C 0.5018(8) 0.3061(10) 0.0464(5) 0.0252(17) Uani 0.525(8) 1 d PD A 1
H9A H 0.5620 0.3942 0.0603 0.030 Uiso 0.525(8) 1 calc PR A 1
H9B H 0.5512 0.2697 0.0606 0.030 Uiso 0.525(8) 1 calc PR A 1
C10 C 0.4210(6) 0.2306(7) -0.0752(4) 0.0340(16) Uani 0.525(8) 1 d PD A 1
H10A H 0.4768 0.2450 -0.1235 0.041 Uiso 0.525(8) 1 calc PR A 1
H10B H 0.3764 0.1396 -0.0934 0.041 Uiso 0.525(8) 1 calc PR A 1
C11 C 0.3260(8) 0.2618(9) -0.1027(5) 0.0296(18) Uani 0.525(8) 1 d PDU A 1
H11A H 0.3693 0.3413 -0.1108 0.036 Uiso 0.525(8) 1 calc PR A 1
H11B H 0.2638 0.1941 -0.1761 0.036 Uiso 0.525(8) 1 calc PR A 1
C12 C 0.2574(6) 0.2769(7) -0.0188(4) 0.0287(15) Uani 0.525(8) 1 d PD A 1
H12A H 0.1928 0.1919 -0.0286 0.034 Uiso 0.525(8) 1 calc PR A 1
H12B H 0.2127 0.3170 -0.0345 0.034 Uiso 0.525(8) 1 calc PR A 1
C9' C 0.4811(10) 0.2740(10) 0.0401(6) 0.026(3) Uiso 0.475(8) 1 d PD A 2
H9'A H 0.4210 0.1836 0.0188 0.032 Uiso 0.475(8) 1 calc PR A 2
H9'B H 0.5676 0.2929 0.0658 0.032 Uiso 0.475(8) 1 calc PR A 2
C10' C 0.4676(6) 0.3013(8) -0.0612(5) 0.0285(15) Uiso 0.475(8) 1 d PD A 2
H10C H 0.5363 0.3884 -0.0420 0.034 Uiso 0.475(8) 1 calc PR A 2
H10D H 0.4774 0.2428 -0.1243 0.034 Uiso 0.475(8) 1 calc PR A 2
C11' C 0.3442(8) 0.2878(10) -0.0981(7) 0.026(2) Uiso 0.475(8) 1 d PDU A 2
H11C H 0.2793 0.1967 -0.1409 0.031 Uiso 0.475(8) 1 calc PR A 2
H11D H 0.3505 0.3271 -0.1500 0.031 Uiso 0.475(8) 1 calc PR A 2
C12' C 0.2988(6) 0.3460(7) -0.0045(5) 0.0255(14) Uiso 0.475(8) 1 d PD A 2
H12C H 0.3468 0.4389 0.0228 0.031 Uiso 0.475(8) 1 calc PR A 2
H12D H 0.2087 0.3142 -0.0350 0.031 Uiso 0.475(8) 1 calc PR A 2
C13 C 0.6003(2) 0.2595(2) 0.3256(2) 0.0203(5) Uani 1 1 d . . .
C14 C 0.5300(3) 0.1468(2) 0.2283(2) 0.0255(5) Uani 1 1 d . A .
H14A H 0.4757 0.1404 0.1692 0.031 Uiso 1 1 calc R . .
C15 C 0.5389(3) 0.0431(3) 0.2170(3) 0.0325(6) Uani 1 1 d . . .
H15A H 0.4918 -0.0332 0.1497 0.039 Uiso 1 1 calc R A .
C16 C 0.6156(3) 0.0511(3) 0.3032(3) 0.0344(7) Uani 1 1 d . A .
H16A H 0.6227 -0.0193 0.2946 0.041 Uiso 1 1 calc R . .
C17 C 0.6823(3) 0.1604(3) 0.4017(3) 0.0349(7) Uani 1 1 d . . .
H17A H 0.7322 0.1640 0.4621 0.042 Uiso 1 1 calc R A .
C18 C 0.6768(3) 0.2656(3) 0.4131(2) 0.0272(6) Uani 1 1 d . A .
H18A H 0.7251 0.3418 0.4804 0.033 Uiso 1 1 calc R . .
C19 C 0.7530(2) 0.5065(2) 0.3391(2) 0.0206(5) Uani 1 1 d . . .
C20 C 0.8549(3) 0.5581(3) 0.4305(2) 0.0289(6) Uani 1 1 d . A .
H20A H 0.8413 0.5407 0.4931 0.035 Uiso 1 1 calc R . .
C21 C 0.9770(3) 0.6352(3) 0.4307(3) 0.0353(7) Uani 1 1 d . . .
H21A H 1.0461 0.6689 0.4931 0.042 Uiso 1 1 calc R A .
C22 C 0.9990(3) 0.6634(3) 0.3414(3) 0.0348(7) Uani 1 1 d . A .
H22A H 1.0826 0.7163 0.3424 0.042 Uiso 1 1 calc R . .
C23 C 0.8987(3) 0.6141(3) 0.2509(3) 0.0377(7) Uani 1 1 d . . .
H23A H 0.9131 0.6340 0.1896 0.045 Uiso 1 1 calc R A .
C24 C 0.7762(3) 0.5354(3) 0.2489(2) 0.0313(6) Uani 1 1 d . A .
H24A H 0.7077 0.5008 0.1856 0.038 Uiso 1 1 calc R . .
C25 C 0.2162(2) 0.5513(3) 0.1925(2) 0.0230(5) Uani 1 1 d . . .
C26 C 0.2984(3) 0.6733(3) 0.2751(3) 0.0318(6) Uani 1 1 d . A .
H26A H 0.3408 0.6866 0.3453 0.038 Uiso 1 1 calc R . .
C27 C 0.3192(3) 0.7755(3) 0.2567(3) 0.0437(8) Uani 1 1 d . . .
H27A H 0.3749 0.8588 0.3143 0.052 Uiso 1 1 calc R A .
C28 C 0.2588(3) 0.7567(3) 0.1541(4) 0.0465(9) Uani 1 1 d . A .
H28A H 0.2723 0.8272 0.1416 0.056 Uiso 1 1 calc R . .
C29 C 0.1802(4) 0.6373(4) 0.0709(4) 0.0537(10) Uani 1 1 d . . .
H29A H 0.1407 0.6250 0.0000 0.064 Uiso 1 1 calc R A .
C30 C 0.1575(3) 0.5337(3) 0.0892(3) 0.0388(7) Uani 1 1 d . A .
H30A H 0.1018 0.4507 0.0312 0.047 Uiso 1 1 calc R . .
C31 C 0.0233(2) 0.3045(2) 0.1538(2) 0.0198(5) Uani 1 1 d . . .
C32 C -0.0224(3) 0.1875(3) 0.0642(2) 0.0291(6) Uani 1 1 d . A .
H32A H 0.0347 0.1676 0.0333 0.035 Uiso 1 1 calc R . .
C33 C -0.1510(3) 0.1000(3) 0.0199(2) 0.0359(7) Uani 1 1 d . . .
H33A H -0.1818 0.0203 -0.0413 0.043 Uiso 1 1 calc R A .
C34 C -0.2342(3) 0.1282(3) 0.0643(3) 0.0354(7) Uani 1 1 d . A .
H34A H -0.3222 0.0677 0.0345 0.043 Uiso 1 1 calc R . .
C35 C -0.1895(3) 0.2439(3) 0.1519(3) 0.0375(7) Uani 1 1 d . . .
H35A H -0.2472 0.2635 0.1819 0.045 Uiso 1 1 calc R A .
C36 C -0.0626(3) 0.3317(3) 0.1967(2) 0.0290(6) Uani 1 1 d . A .
H36A H -0.0331 0.4114 0.2573 0.035 Uiso 1 1 calc R . .
N40 N 0.2570(2) 0.2232(2) 0.38372(18) 0.0235(5) Uani 1 1 d . . .
Si41 Si 0.11787(8) 0.10132(7) 0.28253(6) 0.02657(17) Uani 1 1 d D A .
H41 H 0.123(3) 0.102(3) 0.1746(14) 0.052(10) Uiso 1 1 d D . .
C42 C 0.0806(4) -0.0601(3) 0.2579(3) 0.0464(9) Uani 1 1 d . . .
H42A H 0.1519 -0.0685 0.2430 0.070 Uiso 1 1 calc R A .
H42B H 0.0054 -0.1236 0.1932 0.070 Uiso 1 1 calc R . .
H42C H 0.0648 -0.0730 0.3245 0.070 Uiso 1 1 calc R . .
C43 C -0.0220(3) 0.1095(3) 0.3099(3) 0.0427(8) Uani 1 1 d . . .
H43A H -0.0062 0.1932 0.3235 0.064 Uiso 1 1 calc R A .
H43B H -0.0371 0.0948 0.3758 0.064 Uiso 1 1 calc R . .
H43C H -0.0962 0.0447 0.2446 0.064 Uiso 1 1 calc R . .
Si44 Si 0.31151(8) 0.21286(7) 0.49871(6) 0.02713(17) Uani 1 1 d D A .
H44 H 0.4168(16) 0.3378(10) 0.5757(18) 0.021(7) Uiso 1 1 d D . .
C45 C 0.1930(4) 0.1620(4) 0.5742(3) 0.0450(8) Uani 1 1 d . . .
H45A H 0.1577 0.2159 0.5903 0.067 Uiso 1 1 calc R A .
H45B H 0.2338 0.1695 0.6446 0.067 Uiso 1 1 calc R . .
H45C H 0.1253 0.0740 0.5273 0.067 Uiso 1 1 calc R . .
C46 C 0.3733(3) 0.1051(3) 0.4723(3) 0.0422(8) Uani 1 1 d . . .
H46A H 0.4362 0.1277 0.4323 0.063 Uiso 1 1 calc R A .
H46B H 0.3036 0.0175 0.4269 0.063 Uiso 1 1 calc R . .
H46C H 0.4124 0.1136 0.5440 0.063 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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
N40 Y O1 100.48(7) . 2_666 ?
N40 Y O8 104.82(7) . . ?
O1 Y O8 83.20(6) 2_666 . ?
N40 Y N6 108.62(8) . . ?
O1 Y N6 139.70(7) 2_666 . ?
O8 Y N6 63.06(6) . . ?
N40 Y N3 104.15(8) . . ?
O1 Y N3 131.26(7) 2_666 . ?
O8 Y N3 128.34(7) . . ?
N6 Y N3 67.53(7) . . ?
N40 Y O1 96.01(7) . . ?
O1 Y O1 74.74(6) 2_666 . ?
O8 Y O1 152.06(6) . . ?
N6 Y O1 127.29(7) . . ?
N3 Y O1 61.46(6) . . ?
P2 O1 Y 153.56(11) . 2_666 ?
P2 O1 Y 95.67(8) . . ?
Y O1 Y 105.26(6) 2_666 . ?
O1 P2 N3 104.84(10) . . ?
O1 P2 C13 106.99(11) . . ?
N3 P2 C13 113.96(13) . . ?
O1 P2 C19 108.95(11) . . ?
N3 P2 C19 117.27(13) . . ?
C13 P2 C19 104.41(11) . . ?
O1 P2 Y 53.58(6) . . ?
N3 P2 Y 51.83(8) . . ?
C13 P2 Y 118.52(8) . . ?
C19 P2 Y 136.49(8) . . ?
C4 N3 P2 143.8(2) . . ?
C4' N3 P2 139.2(3) . . ?
C4 N3 Y 117.7(2) . . ?
C4' N3 Y 120.8(2) . . ?
P2 N3 Y 97.20(9) . . ?
N3 C4 C9 119.6(5) . . ?
N3 C4 C5 110.5(4) . . ?
C9 C4 C5 110.4(5) . . ?
N6 C5 C12 118.2(5) . . ?
N6 C5 C4 108.5(4) . . ?
C12 C5 C4 110.9(5) . . ?
N3 C4' C9' 119.6(5) . . ?
N3 C4' C5' 110.4(4) . . ?
C9' C4' C5' 107.6(6) . . ?
N6 C5' C12' 117.2(5) . . ?
N6 C5' C4' 108.5(5) . . ?
C12' C5' C4' 108.9(6) . . ?
C5 N6 P7 136.7(3) . . ?
C5' N6 P7 141.3(3) . . ?
C5 N6 Y 122.8(2) . . ?
C5' N6 Y 122.7(3) . . ?
P7 N6 Y 95.94(9) . . ?
O8 P7 N6 103.63(10) . . ?
O8 P7 C31 108.86(11) . . ?
N6 P7 C31 115.22(12) . . ?
O8 P7 C25 108.55(11) . . ?
N6 P7 C25 115.86(12) . . ?
C31 P7 C25 104.51(11) . . ?
O8 P7 Y 51.68(6) . . ?
N6 P7 Y 51.97(7) . . ?
C31 P7 Y 126.05(8) . . ?
C25 P7 Y 128.83(9) . . ?
P7 O8 Y 97.34(8) . . ?
C10 C9 C4 112.0(6) . . ?
C11 C10 C9 114.5(5) . . ?
C12 C11 C10 114.7(5) . . ?
C11 C12 C5 115.1(5) . . ?
C4' C9' C10' 109.0(6) . . ?
C11' C10' C9' 113.4(6) . . ?
C10' C11' C12' 115.7(6) . . ?
C5' C12' C11' 112.2(6) . . ?
C14 C13 C18 118.9(2) . . ?
C14 C13 P2 119.7(2) . . ?
C18 C13 P2 121.39(19) . . ?
C13 C14 C15 120.3(3) . . ?
C16 C15 C14 120.1(3) . . ?
C15 C16 C17 120.3(3) . . ?
C16 C17 C18 120.2(3) . . ?
C17 C18 C13 120.1(3) . . ?
C20 C19 C24 118.4(3) . . ?
C20 C19 P2 119.8(2) . . ?
C24 C19 P2 121.6(2) . . ?
C19 C20 C21 120.3(3) . . ?
C22 C21 C20 120.9(3) . . ?
C23 C22 C21 119.4(3) . . ?
C22 C23 C24 120.3(3) . . ?
C23 C24 C19 120.7(3) . . ?
C26 C25 C30 118.8(3) . . ?
C26 C25 P7 119.6(2) . . ?
C30 C25 P7 121.6(2) . . ?
C27 C26 C25 120.7(3) . . ?
C26 C27 C28 119.9(3) . . ?
C29 C28 C27 120.2(3) . . ?
C28 C29 C30 120.3(3) . . ?
C29 C30 C25 120.1(3) . . ?
C32 C31 C36 118.7(3) . . ?
C32 C31 P7 122.5(2) . . ?
C36 C31 P7 118.83(19) . . ?
C33 C32 C31 120.2(3) . . ?
C34 C33 C32 120.2(3) . . ?
C35 C34 C33 119.8(3) . . ?
C36 C35 C34 120.8(3) . . ?
C35 C36 C31 120.4(3) . . ?
Si44 N40 Si41 121.61(14) . . ?
Si44 N40 Y 119.36(12) . . ?
Si41 N40 Y 118.94(11) . . ?
N40 Si41 C43 113.44(14) . . ?
N40 Si41 C42 114.93(14) . . ?
C43 Si41 C42 106.81(18) . . ?
N40 Si44 C45 113.86(14) . . ?
N40 Si44 C46 115.34(14) . . ?
C45 Si44 C46 106.16(16) . . ?
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
Y N40 2.236(2) . ?
Y O1 2.2942(16) 2_666 ?
Y O8 2.3336(17) . ?
Y N6 2.336(2) . ?
Y N3 2.395(2) . ?
Y O1 2.4444(16) . ?
O1 P2 1.5534(17) . ?
O1 Y 2.2942(16) 2_666 ?
P2 N3 1.568(2) . ?
P2 C13 1.808(3) . ?
P2 C19 1.812(3) . ?
N3 C4 1.422(5) . ?
N3 C4' 1.433(5) . ?
C4 C9 1.526(7) . ?
C4 C5 1.527(7) . ?
C5 N6 1.427(5) . ?
C5 C12 1.513(7) . ?
C4' C9' 1.530(8) . ?
C4' C5' 1.552(8) . ?
C5' N6 1.442(7) . ?
C5' C12' 1.513(8) . ?
N6 P7 1.576(2) . ?
P7 O8 1.5309(17) . ?
P7 C31 1.802(3) . ?
P7 C25 1.803(3) . ?
C9 C10 1.517(8) . ?
C10 C11 1.490(8) . ?
C11 C12 1.482(8) . ?
C9' C10' 1.531(9) . ?
C10' C11' 1.492(9) . ?
C11' C12' 1.528(9) . ?
C13 C14 1.390(3) . ?
C13 C18 1.401(4) . ?
C14 C15 1.392(4) . ?
C15 C16 1.375(4) . ?
C16 C17 1.375(4) . ?
C17 C18 1.389(4) . ?
C19 C20 1.389(4) . ?
C19 C24 1.399(4) . ?
C20 C21 1.391(4) . ?
C21 C22 1.380(4) . ?
C22 C23 1.376(5) . ?
C23 C24 1.391(4) . ?
C25 C26 1.385(4) . ?
C25 C30 1.392(4) . ?
C26 C27 1.374(4) . ?
C27 C28 1.386(5) . ?
C28 C29 1.362(6) . ?
C29 C30 1.386(5) . ?
C31 C32 1.392(3) . ?
C31 C36 1.393(4) . ?
C32 C33 1.387(4) . ?
C33 C34 1.376(4) . ?
C34 C35 1.372(4) . ?
C35 C36 1.372(4) . ?
N40 Si44 1.701(2) . ?
N40 Si41 1.715(2) . ?
Si41 C43 1.865(3) . ?
Si41 C42 1.868(3) . ?
Si44 C45 1.863(3) . ?
Si44 C46 1.873(3) . ?
