#------------------------------------------------------------------------------
#$Date: 2016-03-26 21:52:11 +0100 (Sat 26 de Mar de 2016) $
#$Revision: 180521 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/90/7219093.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_7219093
loop_
_publ_author_name
'Cheng, Hao'
'Zhao, Bei'
'Yao, Yingming'
'Lu, Chengrong'
_publ_section_title
;
 Carboxylation of terminal alkynes with CO2catalyzed by bis(amidate)
 rare-earth metal amides
;
_journal_issue                   3
_journal_name_full               'Green Chem.'
_journal_page_first              1675
_journal_paper_doi               10.1039/C4GC02200A
_journal_volume                  17
_journal_year                    2015
_chemical_formula_moiety         'C76 H124 N6 O6 Si4 Nd2, 3(C4 H8 O)'
_chemical_formula_sum            'C88 H148 N6 Nd2 O9 Si4'
_chemical_formula_weight         1834.96
_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
_audit_update_record
;
2014-07-31 deposited with the CCDC.
2014-12-11 downloaded from the CCDC.
;
_cell_angle_alpha                109.019(3)
_cell_angle_beta                 106.371(2)
_cell_angle_gamma                98.531(4)
_cell_formula_units_Z            1
_cell_length_a                   13.883(3)
_cell_length_b                   14.024(3)
_cell_length_c                   15.361(4)
_cell_measurement_reflns_used    9862
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     2616.0(11)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.984
_diffrn_measured_fraction_theta_max 0.984
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0499
_diffrn_reflns_av_sigmaI/netI    0.0852
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            25345
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.00
_exptl_absorpt_coefficient_mu    1.076
_exptl_absorpt_correction_T_max  0.809
_exptl_absorpt_correction_T_min  0.664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.165
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             966
_exptl_crystal_size_max          0.60
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.824
_refine_diff_density_min         -0.595
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.105
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     495
_refine_ls_number_reflns         11815
_refine_ls_number_restraints     61
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0957
_refine_ls_R_factor_gt           0.0737
_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)+(0.0668P)²+5.3662P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1654
_refine_ls_wR_factor_ref         0.1846
_reflns_number_gt                9450
_reflns_number_total             11815
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4gc02200a2.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 7219093--7219095.cif.'
_cod_original_cell_volume        2615.8(11)
_cod_database_code               7219093
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
Nd1 Nd 0.97847(2) 0.62527(3) 0.60532(2) 0.03982(12) Uani 1 1 d . . .
Si1 Si 1.07500(18) 0.6086(2) 0.82357(16) 0.0644(6) Uani 1 1 d . . .
Si2 Si 0.99912(19) 0.80254(19) 0.84610(17) 0.0689(6) Uani 1 1 d . . .
O1 O 0.8604(3) 0.6869(4) 0.5248(3) 0.0535(12) Uani 1 1 d . . .
O2 O 0.9019(3) 0.4379(3) 0.4700(3) 0.0470(11) Uani 1 1 d . . .
O3 O 1.0928(4) 0.7916(4) 0.6204(4) 0.0702(15) Uani 1 1 d . C .
N1 N 0.6830(4) 0.6160(5) 0.4855(4) 0.0542(15) Uani 1 1 d . . .
N2 N 0.8090(4) 0.4948(4) 0.5624(4) 0.0431(12) Uani 1 1 d . . .
N3 N 1.0210(4) 0.6907(4) 0.7766(4) 0.0487(13) Uani 1 1 d . . .
C1 C 0.7616(5) 0.6522(5) 0.4658(5) 0.0515(16) Uani 1 1 d . . .
C2 C 0.7410(5) 0.6557(6) 0.3651(5) 0.0525(17) Uani 1 1 d . . .
C3 C 0.8065(7) 0.7297(7) 0.3528(6) 0.068(2) Uani 1 1 d . . .
H3 H 0.8639 0.7777 0.4070 0.081 Uiso 1 1 calc R . .
C4 C 0.7886(7) 0.7344(7) 0.2606(6) 0.075(2) Uani 1 1 d . . .
H4 H 0.8349 0.7855 0.2540 0.090 Uiso 1 1 calc R . .
C5 C 0.7058(7) 0.6670(8) 0.1794(6) 0.074(2) Uani 1 1 d . A .
C6 C 0.6433(8) 0.5917(8) 0.1939(7) 0.085(3) Uani 1 1 d . . .
H6 H 0.5872 0.5418 0.1395 0.102 Uiso 1 1 calc R . .
C7 C 0.6600(6) 0.5868(7) 0.2854(6) 0.068(2) Uani 1 1 d . . .
H7 H 0.6146 0.5351 0.2922 0.081 Uiso 1 1 calc R . .
C8 C 0.6843(9) 0.6709(9) 0.0763(8) 0.107(4) Uani 1 1 d D . .
C9 C 0.660(2) 0.5601(15) -0.0012(16) 0.115(7) Uiso 0.50 1 d PDU A 1
H9A H 0.7219 0.5346 0.0098 0.172 Uiso 0.50 1 calc PR A 1
H9B H 0.6387 0.5617 -0.0664 0.172 Uiso 0.50 1 calc PR A 1
H9C H 0.6045 0.5140 0.0039 0.172 Uiso 0.50 1 calc PR A 1
C10 C 0.7648(17) 0.7530(17) 0.0733(19) 0.104(7) Uiso 0.50 1 d PDU A 1
H10A H 0.7704 0.8209 0.1212 0.155 Uiso 0.50 1 calc PR A 1
H10B H 0.7443 0.7545 0.0080 0.155 Uiso 0.50 1 calc PR A 1
H10C H 0.8315 0.7368 0.0889 0.155 Uiso 0.50 1 calc PR A 1
C11 C 0.5757(15) 0.699(2) 0.049(2) 0.111(7) Uiso 0.50 1 d PDU A 1
H11A H 0.5217 0.6449 0.0469 0.167 Uiso 0.50 1 calc PR A 1
H11B H 0.5587 0.7043 -0.0146 0.167 Uiso 0.50 1 calc PR A 1
H11C H 0.5805 0.7656 0.0987 0.167 Uiso 0.50 1 calc PR A 1
C9A C 0.735(2) 0.595(2) 0.020(2) 0.130(8) Uiso 0.50 1 d PDU A 2
H9A1 H 0.8094 0.6161 0.0554 0.194 Uiso 0.50 1 calc PR A 2
H9A2 H 0.7211 0.5958 -0.0451 0.194 Uiso 0.50 1 calc PR A 2
H9A3 H 0.7062 0.5250 0.0146 0.194 Uiso 0.50 1 calc PR A 2
C10A C 0.7303(19) 0.7843(15) 0.0862(19) 0.106(7) Uiso 0.50 1 d PDU A 2
H10D H 0.7034 0.8331 0.1278 0.159 Uiso 0.50 1 calc PR A 2
H10E H 0.7103 0.7874 0.0216 0.159 Uiso 0.50 1 calc PR A 2
H10F H 0.8056 0.8028 0.1153 0.159 Uiso 0.50 1 calc PR A 2
C11A C 0.5699(15) 0.647(2) 0.013(2) 0.124(8) Uiso 0.50 1 d PDU A 2
H11D H 0.5346 0.5756 -0.0003 0.186 Uiso 0.50 1 calc PR A 2
H11E H 0.5652 0.6543 -0.0483 0.186 Uiso 0.50 1 calc PR A 2
H11F H 0.5374 0.6950 0.0482 0.186 Uiso 0.50 1 calc PR A 2
C12 C 0.6984(5) 0.6129(5) 0.5818(5) 0.0471(15) Uani 1 1 d . . .
H12 H 0.7619 0.6677 0.6306 0.056 Uiso 1 1 calc R . .
C13 C 0.6045(6) 0.6341(7) 0.6104(6) 0.066(2) Uani 1 1 d . . .
H13A H 0.6016 0.7056 0.6176 0.079 Uiso 1 1 calc R . .
H13B H 0.5408 0.5861 0.5571 0.079 Uiso 1 1 calc R . .
C14 C 0.6070(7) 0.6216(7) 0.7039(6) 0.076(3) Uani 1 1 d . . .
H14A H 0.5427 0.6315 0.7157 0.091 Uiso 1 1 calc R . .
H14B H 0.6656 0.6753 0.7590 0.091 Uiso 1 1 calc R . .
C15 C 0.6178(6) 0.5157(8) 0.6998(6) 0.075(3) Uani 1 1 d . . .
H15A H 0.5555 0.4621 0.6495 0.090 Uiso 1 1 calc R . .
H15B H 0.6233 0.5114 0.7634 0.090 Uiso 1 1 calc R . .
C16 C 0.7154(6) 0.4943(6) 0.6753(6) 0.0605(19) Uani 1 1 d . . .
H16A H 0.7782 0.5437 0.7288 0.073 Uiso 1 1 calc R . .
H16B H 0.7190 0.4234 0.6698 0.073 Uiso 1 1 calc R . .
C17 C 0.7117(5) 0.5055(5) 0.5792(5) 0.0443(15) Uani 1 1 d . . .
H17 H 0.6527 0.4502 0.5242 0.053 Uiso 1 1 calc R . .
C18 C 0.8117(5) 0.4258(5) 0.4836(5) 0.0431(14) Uani 1 1 d . . .
C19 C 0.7222(4) 0.3390(5) 0.4061(5) 0.0424(14) Uani 1 1 d . . .
C20 C 0.6903(5) 0.3302(6) 0.3108(5) 0.0544(17) Uani 1 1 d . . .
H20 H 0.7256 0.3799 0.2938 0.065 Uiso 1 1 calc R . .
C21 C 0.6070(6) 0.2499(6) 0.2384(5) 0.0598(19) Uani 1 1 d . . .
H21 H 0.5873 0.2461 0.1733 0.072 Uiso 1 1 calc R . .
C22 C 0.5520(5) 0.1751(5) 0.2596(5) 0.0503(16) Uani 1 1 d . . .
C23 C 0.5849(6) 0.1850(6) 0.3560(5) 0.0580(18) Uani 1 1 d . . .
H23 H 0.5505 0.1349 0.3732 0.070 Uiso 1 1 calc R . .
C24 C 0.6669(5) 0.2657(5) 0.4282(5) 0.0536(17) Uani 1 1 d . . .
H24 H 0.6854 0.2711 0.4937 0.064 Uiso 1 1 calc R . .
C25 C 0.4607(6) 0.0837(6) 0.1790(6) 0.068(2) Uani 1 1 d . . .
C26 C 0.5049(10) -0.0086(8) 0.1439(9) 0.133(5) Uani 1 1 d . . .
H26A H 0.5253 -0.0351 0.1954 0.200 Uiso 1 1 calc R . .
H26B H 0.5651 0.0138 0.1282 0.200 Uiso 1 1 calc R . .
H26C H 0.4523 -0.0634 0.0856 0.200 Uiso 1 1 calc R . .
C27 C 0.3786(8) 0.0555(10) 0.2189(8) 0.136(5) Uani 1 1 d . . .
H27A H 0.3218 -0.0018 0.1672 0.204 Uiso 1 1 calc R . .
H27B H 0.3524 0.1156 0.2428 0.204 Uiso 1 1 calc R . .
H27C H 0.4083 0.0344 0.2726 0.204 Uiso 1 1 calc R . .
C28 C 0.4112(9) 0.1095(8) 0.0895(7) 0.118(4) Uani 1 1 d . . .
H28A H 0.3538 0.0507 0.0410 0.177 Uiso 1 1 calc R . .
H28B H 0.4629 0.1234 0.0608 0.177 Uiso 1 1 calc R . .
H28C H 0.3857 0.1708 0.1102 0.177 Uiso 1 1 calc R . .
C29 C 1.0671(7) 0.4888(6) 0.7170(6) 0.071(2) Uani 1 1 d . . .
H29A H 0.9948 0.4546 0.6757 0.107 Uiso 1 1 calc R . .
H29B H 1.0979 0.4409 0.7419 0.107 Uiso 1 1 calc R . .
H29C H 1.1046 0.5094 0.6786 0.107 Uiso 1 1 calc R . .
C30 C 1.0070(10) 0.5607(9) 0.8972(8) 0.110(4) Uani 1 1 d . . .
H30A H 1.0162 0.6188 0.9572 0.165 Uiso 1 1 calc R . .
H30B H 1.0364 0.5076 0.9138 0.165 Uiso 1 1 calc R . .
H30C H 0.9333 0.5311 0.8587 0.165 Uiso 1 1 calc R . .
C31 C 1.2184(7) 0.6654(9) 0.9040(7) 0.100(3) Uani 1 1 d . . .
H31A H 1.2524 0.7096 0.8782 0.149 Uiso 1 1 calc R . .
H31B H 1.2512 0.6089 0.9040 0.149 Uiso 1 1 calc R . .
H31C H 1.2248 0.7066 0.9707 0.149 Uiso 1 1 calc R . .
C32 C 0.9097(9) 0.7791(9) 0.9121(8) 0.116(4) Uani 1 1 d . . .
H32A H 0.8552 0.7150 0.8704 0.174 Uiso 1 1 calc R . .
H32B H 0.8787 0.8372 0.9278 0.174 Uiso 1 1 calc R . .
H32C H 0.9486 0.7730 0.9724 0.174 Uiso 1 1 calc R . .
C33 C 1.1228(9) 0.8995(9) 0.9461(8) 0.117(4) Uani 1 1 d . . .
H33A H 1.1512 0.8697 0.9933 0.175 Uiso 1 1 calc R . .
H33B H 1.1069 0.9636 0.9794 0.175 Uiso 1 1 calc R . .
H33C H 1.1735 0.9147 0.9168 0.175 Uiso 1 1 calc R . .
C34 C 0.9379(7) 0.8722(6) 0.7715(8) 0.092(3) Uani 1 1 d . . .
H34A H 0.9880 0.9027 0.7484 0.138 Uiso 1 1 calc R . .
H34B H 0.9153 0.9271 0.8114 0.138 Uiso 1 1 calc R . .
H34C H 0.8783 0.8233 0.7154 0.138 Uiso 1 1 calc R . .
C35 C 1.1733(7) 0.8730(7) 0.7017(8) 0.089(3) Uani 1 1 d D . .
H35A H 1.2426 0.8632 0.7054 0.107 Uiso 1 1 calc R B 1
H35B H 1.1637 0.8814 0.7643 0.107 Uiso 1 1 calc R B 1
C36 C 1.152(2) 0.9675(16) 0.6689(18) 0.107(9) Uiso 0.50 1 d PD C 1
H36A H 1.1239 1.0127 0.7130 0.128 Uiso 0.50 1 calc PR C 1
H36B H 1.2178 1.0096 0.6733 0.128 Uiso 0.50 1 calc PR C 1
C37 C 1.077(2) 0.9245(17) 0.5653(18) 0.127(10) Uiso 0.50 1 d PD C 1
H37A H 1.0068 0.9317 0.5629 0.152 Uiso 0.50 1 calc PR C 1
H37B H 1.0999 0.9582 0.5253 0.152 Uiso 0.50 1 calc PR C 1
C36A C 1.200(3) 0.9749(18) 0.691(2) 0.159(15) Uiso 0.50 1 d PD C 2
H36C H 1.2750 1.0012 0.7069 0.191 Uiso 0.50 1 calc PR C 2
H36D H 1.1742 1.0286 0.7299 0.191 Uiso 0.50 1 calc PR C 2
C37A C 1.138(3) 0.9326(16) 0.580(2) 0.154(13) Uiso 0.50 1 d PD C 2
H37C H 1.1858 0.9443 0.5463 0.185 Uiso 0.50 1 calc PR C 2
H37D H 1.0870 0.9728 0.5690 0.185 Uiso 0.50 1 calc PR C 2
C38 C 1.0795(10) 0.8146(11) 0.5339(11) 0.150(6) Uani 1 1 d D . .
H38A H 1.0145 0.7693 0.4809 0.180 Uiso 1 1 calc R C 1
H38B H 1.1377 0.8050 0.5108 0.180 Uiso 1 1 calc R C 1
O4 O 0.555(3) 0.840(3) 0.320(2) 0.212(6) Uiso 0.50 1 d PDU D 1
C39 C 0.633(3) 0.908(4) 0.412(3) 0.209(6) Uiso 0.50 1 d PDU D 1
C40 C 0.627(3) 0.863(3) 0.489(3) 0.207(6) Uiso 0.50 1 d PDU D 1
C41 C 0.511(4) 0.805(4) 0.429(3) 0.207(6) Uiso 0.50 1 d PDU D 1
C42 C 0.482(3) 0.755(3) 0.316(3) 0.210(6) Uiso 0.50 1 d PDU D 1
O4A O 0.564(3) 0.931(2) 0.379(2) 0.209(6) Uiso 0.50 1 d PDU E 2
C39A C 0.646(3) 0.947(4) 0.466(3) 0.208(6) Uiso 0.50 1 d PDU E 2
C40A C 0.583(3) 0.883(4) 0.505(3) 0.207(6) Uiso 0.50 1 d PDU E 2
C41A C 0.528(4) 0.782(3) 0.415(3) 0.207(6) Uiso 0.50 1 d PDU E 2
C42A C 0.482(3) 0.839(3) 0.349(3) 0.210(6) Uiso 0.50 1 d PDU E 2
O5 O 0.142(2) 0.831(3) 0.348(2) 0.231(8) Uiso 0.50 1 d PDU . .
C43 C 0.074(3) 0.862(3) 0.281(3) 0.227(8) Uiso 0.50 1 d PDU . .
C44 C 0.111(3) 0.849(3) 0.192(3) 0.223(8) Uiso 0.50 1 d PDU . .
C45 C 0.175(3) 0.769(3) 0.192(3) 0.223(9) Uiso 0.50 1 d PDU . .
C46 C 0.162(3) 0.747(3) 0.282(3) 0.224(8) Uiso 0.50 1 d PDU . .
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'
Nd Nd -0.1943 3.0179 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Nd1 N3 115.32(19) . .
O1 Nd1 O2 117.69(17) . 2_766
N3 Nd1 O2 121.79(17) . 2_766
O1 Nd1 O3 79.46(17) . .
N3 Nd1 O3 90.16(19) . .
O2 Nd1 O3 77.63(17) 2_766 .
O1 Nd1 N2 76.92(17) . .
N3 Nd1 N2 96.79(18) . .
O2 Nd1 N2 116.76(15) 2_766 .
O3 Nd1 N2 156.13(18) . .
O1 Nd1 O2 92.65(16) . .
N3 Nd1 O2 132.68(17) . .
O2 Nd1 O2 66.18(15) 2_766 .
O3 Nd1 O2 133.96(17) . .
N2 Nd1 O2 51.29(14) . .
O1 Nd1 C18 81.01(18) . .
N3 Nd1 C18 118.19(18) . .
O2 Nd1 C18 92.38(16) 2_766 .
O3 Nd1 C18 150.56(18) . .
N2 Nd1 C18 25.47(16) . .
O2 Nd1 C18 26.22(14) . .
O1 Nd1 Si1 141.33(13) . .
N3 Nd1 Si1 28.61(14) . .
O2 Nd1 Si1 100.56(12) 2_766 .
O3 Nd1 Si1 104.91(14) . .
N2 Nd1 Si1 91.56(13) . .
O2 Nd1 Si1 108.77(11) . .
C18 Nd1 Si1 104.13(13) . .
N3 Si1 C30 114.5(4) . .
N3 Si1 C29 107.9(3) . .
C30 Si1 C29 106.5(5) . .
N3 Si1 C31 114.2(4) . .
C30 Si1 C31 106.8(5) . .
C29 Si1 C31 106.3(5) . .
N3 Si1 Nd1 41.22(18) . .
C30 Si1 Nd1 130.4(4) . .
C29 Si1 Nd1 66.8(3) . .
C31 Si1 Nd1 122.4(3) . .
N3 Si2 C34 112.5(4) . .
N3 Si2 C32 113.6(4) . .
C34 Si2 C32 105.0(5) . .
N3 Si2 C33 113.0(4) . .
C34 Si2 C33 107.0(5) . .
C32 Si2 C33 105.1(6) . .
C1 O1 Nd1 137.5(4) . .
C18 O2 Nd1 152.4(4) . 2_766
C18 O2 Nd1 93.7(3) . .
Nd1 O2 Nd1 113.82(15) 2_766 .
C35 O3 C38 109.2(7) . .
C35 O3 Nd1 132.2(6) . .
C38 O3 Nd1 118.6(6) . .
C1 N1 C12 119.9(6) . .
C18 N2 C17 122.7(5) . .
C18 N2 Nd1 97.5(4) . .
C17 N2 Nd1 133.0(4) . .
Si1 N3 Si2 123.8(3) . .
Si1 N3 Nd1 110.2(3) . .
Si2 N3 Nd1 126.0(3) . .
N1 C1 O1 126.8(7) . .
N1 C1 C2 117.7(6) . .
O1 C1 C2 115.4(6) . .
C7 C2 C3 118.4(7) . .
C7 C2 C1 121.9(7) . .
C3 C2 C1 119.7(7) . .
C2 C3 C4 120.6(8) . .
C2 C3 H3 119.7 . .
C4 C3 H3 119.7 . .
C5 C4 C3 122.0(8) . .
C5 C4 H4 119.0 . .
C3 C4 H4 119.0 . .
C4 C5 C6 115.8(8) . .
C4 C5 C8 122.9(9) . .
C6 C5 C8 121.2(9) . .
C5 C6 C7 122.6(8) . .
C5 C6 H6 118.7 . .
C7 C6 H6 118.7 . .
C2 C7 C6 120.6(8) . .
C2 C7 H7 119.7 . .
C6 C7 H7 119.7 . .
C10 C8 C11A 120.0(17) . .
C10 C8 C9A 83.9(16) . .
C11A C8 C9A 109.0(17) . .
C10 C8 C9 115.7(16) . .
C11A C8 C9 75.6(15) . .
C9A C8 C9 37.7(12) . .
C10 C8 C5 113.7(13) . .
C11A C8 C5 116.1(14) . .
C9A C8 C5 108.5(13) . .
C9 C8 C5 109.8(12) . .
C10 C8 C10A 27.1(13) . .
C11A C8 C10A 102.8(17) . .
C9A C8 C10A 109.9(17) . .
C9 C8 C10A 135.6(16) . .
C5 C8 C10A 110.2(12) . .
C10 C8 C11 108.1(16) . .
C11A C8 C11 27.3(14) . .
C9A C8 C11 135.0(17) . .
C9 C8 C11 102.9(16) . .
C5 C8 C11 105.7(13) . .
C10A C8 C11 84.0(14) . .
C8 C9 H9A 109.5 . .
C8 C9 H9B 109.5 . .
C8 C9 H9C 109.5 . .
C8 C10 H10A 109.5 . .
C8 C10 H10B 109.5 . .
C8 C10 H10C 109.5 . .
C8 C11 H11A 109.5 . .
C8 C11 H11B 109.5 . .
C8 C11 H11C 109.5 . .
C8 C9A H9A1 109.5 . .
C8 C9A H9A2 109.5 . .
H9A1 C9A H9A2 109.5 . .
C8 C9A H9A3 109.5 . .
H9A1 C9A H9A3 109.5 . .
H9A2 C9A H9A3 109.5 . .
C8 C10A H10D 109.5 . .
C8 C10A H10E 109.5 . .
H10D C10A H10E 109.5 . .
C8 C10A H10F 109.5 . .
H10D C10A H10F 109.5 . .
H10E C10A H10F 109.5 . .
C8 C11A H11D 109.5 . .
C8 C11A H11E 109.5 . .
H11D C11A H11E 109.5 . .
C8 C11A H11F 109.5 . .
H11D C11A H11F 109.5 . .
H11E C11A H11F 109.5 . .
N1 C12 C13 109.0(6) . .
N1 C12 C17 109.6(5) . .
C13 C12 C17 110.6(6) . .
N1 C12 H12 109.2 . .
C13 C12 H12 109.2 . .
C17 C12 H12 109.2 . .
C14 C13 C12 113.4(6) . .
C14 C13 H13A 108.9 . .
C12 C13 H13A 108.9 . .
C14 C13 H13B 108.9 . .
C12 C13 H13B 108.9 . .
H13A C13 H13B 107.7 . .
C13 C14 C15 111.5(7) . .
C13 C14 H14A 109.3 . .
C15 C14 H14A 109.3 . .
C13 C14 H14B 109.3 . .
C15 C14 H14B 109.3 . .
H14A C14 H14B 108.0 . .
C14 C15 C16 110.9(7) . .
C14 C15 H15A 109.5 . .
C16 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
C16 C15 H15B 109.5 . .
H15A C15 H15B 108.0 . .
C17 C16 C15 110.8(6) . .
C17 C16 H16A 109.5 . .
C15 C16 H16A 109.5 . .
C17 C16 H16B 109.5 . .
C15 C16 H16B 109.5 . .
H16A C16 H16B 108.1 . .
N2 C17 C16 109.7(5) . .
N2 C17 C12 107.9(5) . .
C16 C17 C12 111.4(5) . .
N2 C17 H17 109.3 . .
C16 C17 H17 109.3 . .
C12 C17 H17 109.3 . .
N2 C18 O2 115.8(5) . .
N2 C18 C19 126.1(6) . .
O2 C18 C19 118.0(5) . .
N2 C18 Nd1 57.0(3) . .
O2 C18 Nd1 60.1(3) . .
C19 C18 Nd1 166.2(5) . .
C20 C19 C24 117.4(6) . .
C20 C19 C18 121.2(6) . .
C24 C19 C18 121.4(6) . .
C19 C20 C21 121.5(7) . .
C19 C20 H20 119.2 . .
C21 C20 H20 119.2 . .
C20 C21 C22 121.6(7) . .
C20 C21 H21 119.2 . .
C22 C21 H21 119.2 . .
C23 C22 C21 116.3(6) . .
C23 C22 C25 121.7(7) . .
C21 C22 C25 121.9(7) . .
C22 C23 C24 122.1(7) . .
C22 C23 H23 119.0 . .
C24 C23 H23 119.0 . .
C23 C24 C19 121.1(7) . .
C23 C24 H24 119.4 . .
C19 C24 H24 119.4 . .
C27 C25 C26 110.2(10) . .
C27 C25 C28 109.1(9) . .
C26 C25 C28 107.4(9) . .
C27 C25 C22 110.7(7) . .
C26 C25 C22 107.3(7) . .
C28 C25 C22 112.0(7) . .
C25 C26 H26A 109.5 . .
C25 C26 H26B 109.5 . .
H26A C26 H26B 109.5 . .
C25 C26 H26C 109.5 . .
H26A C26 H26C 109.5 . .
H26B C26 H26C 109.5 . .
C25 C27 H27A 109.5 . .
C25 C27 H27B 109.5 . .
H27A C27 H27B 109.5 . .
C25 C27 H27C 109.5 . .
H27A C27 H27C 109.5 . .
H27B C27 H27C 109.5 . .
C25 C28 H28A 109.5 . .
C25 C28 H28B 109.5 . .
H28A C28 H28B 109.5 . .
C25 C28 H28C 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
Si1 C29 H29A 109.5 . .
Si1 C29 H29B 109.5 . .
H29A C29 H29B 109.5 . .
Si1 C29 H29C 109.5 . .
H29A C29 H29C 109.5 . .
H29B C29 H29C 109.5 . .
Si1 C30 H30A 109.5 . .
Si1 C30 H30B 109.5 . .
H30A C30 H30B 109.5 . .
Si1 C30 H30C 109.5 . .
H30A C30 H30C 109.5 . .
H30B C30 H30C 109.5 . .
Si1 C31 H31A 109.5 . .
Si1 C31 H31B 109.5 . .
H31A C31 H31B 109.5 . .
Si1 C31 H31C 109.5 . .
H31A C31 H31C 109.5 . .
H31B C31 H31C 109.5 . .
Si2 C32 H32A 109.5 . .
Si2 C32 H32B 109.5 . .
H32A C32 H32B 109.5 . .
Si2 C32 H32C 109.5 . .
H32A C32 H32C 109.5 . .
H32B C32 H32C 109.5 . .
Si2 C33 H33A 109.5 . .
Si2 C33 H33B 109.5 . .
H33A C33 H33B 109.5 . .
Si2 C33 H33C 109.5 . .
H33A C33 H33C 109.5 . .
H33B C33 H33C 109.5 . .
Si2 C34 H34A 109.5 . .
Si2 C34 H34B 109.5 . .
H34A C34 H34B 109.5 . .
Si2 C34 H34C 109.5 . .
H34A C34 H34C 109.5 . .
H34B C34 H34C 109.5 . .
O3 C35 C36A 116.5(15) . .
O3 C35 C36 97.6(11) . .
C36A C35 C36 23.2(18) . .
O3 C35 H35A 112.3 . .
C36A C35 H35A 91.6 . .
C36 C35 H35A 112.3 . .
O3 C35 H35B 112.3 . .
C36A C35 H35B 112.6 . .
C36 C35 H35B 112.3 . .
H35A C35 H35B 109.8 . .
C37 C36 C35 109.5(17) . .
C37 C36 H36A 109.8 . .
C35 C36 H36A 109.8 . .
C37 C36 H36B 109.8 . .
C35 C36 H36B 109.8 . .
H36A C36 H36B 108.2 . .
C38 C37 C36 100.4(18) . .
C38 C37 H37A 111.7 . .
C36 C37 H37A 111.7 . .
C38 C37 H37B 111.7 . .
C36 C37 H37B 111.7 . .
H37A C37 H37B 109.5 . .
C35 C36A C37A 96(2) . .
C35 C36A H36C 112.6 . .
C37A C36A H36C 112.6 . .
C35 C36A H36D 112.6 . .
C37A C36A H36D 112.6 . .
H36C C36A H36D 110.1 . .
C36A C37A C38 115(2) . .
C36A C37A H37C 108.6 . .
C38 C37A H37C 108.6 . .
C36A C37A H37D 108.6 . .
C38 C37A H37D 108.6 . .
H37C C37A H37D 107.6 . .
O3 C38 C37 104.8(16) . .
O3 C38 C37A 101.0(15) . .
C37 C38 C37A 30.5(17) . .
O3 C38 H38A 110.8 . .
C37 C38 H38A 110.8 . .
C37A C38 H38A 137.0 . .
O3 C38 H38B 110.8 . .
C37 C38 H38B 110.8 . .
C37A C38 H38B 84.7 . .
H38A C38 H38B 108.9 . .
C42 O4 C39 121(4) . .
O4 C39 C40 107(4) . .
C39 C40 C41 91(4) . .
C40 C41 C42 115(4) . .
O4 C42 C41 90(3) . .
C39A O4A C42A 112(3) . .
O4A C39A C40A 97(3) . .
C41A C40A C39A 102(4) . .
C40A C41A C42A 93(3) . .
O4A C42A C41A 104(3) . .
C46 O5 C43 100(2) . .
O5 C43 C44 109(2) . .
C45 C44 C43 104.8(17) . .
C44 C45 C46 97.9(17) . .
O5 C46 C45 113(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd1 O1 2.223(4) .
Nd1 N3 2.346(5) .
Nd1 O2 2.395(4) 2_766
Nd1 O3 2.520(5) .
Nd1 N2 2.526(5) .
Nd1 O2 2.593(4) .
Nd1 C18 2.985(6) .
Nd1 Si1 3.341(2) .
Si1 N3 1.704(6) .
Si1 C30 1.879(10) .
Si1 C29 1.888(9) .
Si1 C31 1.905(9) .
Si2 N3 1.710(6) .
Si2 C34 1.848(10) .
Si2 C32 1.866(10) .
Si2 C33 1.902(10) .
O1 C1 1.323(8) .
O2 C18 1.322(7) .
O2 Nd1 2.395(4) 2_766
O3 C35 1.421(10) .
O3 C38 1.437(13) .
N1 C1 1.289(8) .
N1 C12 1.450(8) .
N2 C18 1.295(7) .
N2 C17 1.464(7) .
C1 C2 1.510(10) .
C2 C7 1.352(10) .
C2 C3 1.374(10) .
C3 C4 1.391(11) .
C3 H3 0.9400 .
C4 C5 1.369(12) .
C4 H4 0.9400 .
C5 C6 1.381(12) .
C5 C8 1.548(12) .
C6 C7 1.385(11) .
C6 H6 0.9400 .
C7 H7 0.9400 .
C8 C10 1.503(16) .
C8 C11A 1.527(17) .
C8 C9A 1.528(17) .
C8 C9 1.536(16) .
C8 C10A 1.565(16) .
C8 C11 1.592(16) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 H9C 0.9700 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10 H10C 0.9700 .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C11 H11C 0.9700 .
C9A H9A1 0.9700 .
C9A H9A2 0.9700 .
C9A H9A3 0.9700 .
C10A H10D 0.9700 .
C10A H10E 0.9700 .
C10A H10F 0.9700 .
C11A H11D 0.9700 .
C11A H11E 0.9700 .
C11A H11F 0.9700 .
C12 C13 1.529(9) .
C12 C17 1.533(9) .
C12 H12 0.9900 .
C13 C14 1.494(11) .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C14 C15 1.497(12) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C15 C16 1.550(10) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C16 C17 1.523(9) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C17 H17 0.9900 .
C18 C19 1.489(8) .
C19 C20 1.362(9) .
C19 C24 1.379(9) .
C20 C21 1.383(9) .
C20 H20 0.9400 .
C21 C22 1.383(10) .
C21 H21 0.9400 .
C22 C23 1.374(10) .
C22 C25 1.543(9) .
C23 C24 1.376(9) .
C23 H23 0.9400 .
C24 H24 0.9400 .
C25 C27 1.502(13) .
C25 C26 1.519(13) .
C25 C28 1.536(13) .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C26 H26C 0.9700 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C27 H27C 0.9700 .
C28 H28A 0.9700 .
C28 H28B 0.9700 .
C28 H28C 0.9700 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 H29C 0.9700 .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
C30 H30C 0.9700 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C31 H31C 0.9700 .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C32 H32C 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C33 H33C 0.9700 .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C34 H34C 0.9700 .
C35 C36A 1.494(18) .
C35 C36 1.600(16) .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C36 C37 1.499(18) .
C36 H36A 0.9800 .
C36 H36B 0.9800 .
C37 C38 1.468(17) .
C37 H37A 0.9800 .
C37 H37B 0.9800 .
C36A C37A 1.535(19) .
C36A H36C 0.9800 .
C36A H36D 0.9800 .
C37A C38 1.552(18) .
C37A H37C 0.9800 .
C37A H37D 0.9800 .
C38 H38A 0.9800 .
C38 H38B 0.9800 .
O4 C42 1.407(19) .
O4 C39 1.423(19) .
C39 C40 1.543(19) .
C40 C41 1.55(2) .
C41 C42 1.557(19) .
O4A C39A 1.417(19) .
O4A C42A 1.437(19) .
C39A C40A 1.533(19) .
C40A C41A 1.519(19) .
C41A C42A 1.55(2) .
O5 C46 1.406(19) .
O5 C43 1.420(18) .
C43 C44 1.553(18) .
C44 C45 1.546(18) .
C45 C46 1.569(18) .
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_4
O1 Nd1 Si1 N3 -30.5(4) . .
O2 Nd1 Si1 N3 141.0(3) 2_766 .
O3 Nd1 Si1 N3 61.2(3) . .
N2 Nd1 Si1 N3 -101.4(3) . .
O2 Nd1 Si1 N3 -150.7(3) . .
C18 Nd1 Si1 N3 -123.8(3) . .
O1 Nd1 Si1 C30 51.2(5) . .
N3 Nd1 Si1 C30 81.7(6) . .
O2 Nd1 Si1 C30 -137.2(5) 2_766 .
O3 Nd1 Si1 C30 142.9(5) . .
N2 Nd1 Si1 C30 -19.6(5) . .
O2 Nd1 Si1 C30 -69.0(5) . .
C18 Nd1 Si1 C30 -42.0(5) . .
O1 Nd1 Si1 C29 143.6(4) . .
N3 Nd1 Si1 C29 174.1(4) . .
O2 Nd1 Si1 C29 -44.8(3) 2_766 .
O3 Nd1 Si1 C29 -124.7(3) . .
N2 Nd1 Si1 C29 72.8(3) . .
O2 Nd1 Si1 C29 23.4(3) . .
C18 Nd1 Si1 C29 50.3(3) . .
O1 Nd1 Si1 C31 -121.2(5) . .
N3 Nd1 Si1 C31 -90.6(5) . .
O2 Nd1 Si1 C31 50.4(4) 2_766 .
O3 Nd1 Si1 C31 -29.5(5) . .
N2 Nd1 Si1 C31 168.0(4) . .
O2 Nd1 Si1 C31 118.6(4) . .
C18 Nd1 Si1 C31 145.6(5) . .
N3 Nd1 O1 C1 -107.7(7) . .
O2 Nd1 O1 C1 97.3(6) 2_766 .
O3 Nd1 O1 C1 167.2(7) . .
N2 Nd1 O1 C1 -16.3(6) . .
O2 Nd1 O1 C1 32.9(7) . .
C18 Nd1 O1 C1 9.3(6) . .
Si1 Nd1 O1 C1 -92.1(7) . .
O1 Nd1 O2 C18 -63.4(4) . .
N3 Nd1 O2 C18 65.3(4) . .
O2 Nd1 O2 C18 177.4(5) 2_766 .
O3 Nd1 O2 C18 -141.3(4) . .
N2 Nd1 O2 C18 7.5(4) . .
Si1 Nd1 O2 C18 83.9(4) . .
O1 Nd1 O2 Nd1 119.2(2) . 2_766
N3 Nd1 O2 Nd1 -112.1(2) . 2_766
O2 Nd1 O2 Nd1 0.0 2_766 2_766
O3 Nd1 O2 Nd1 41.3(3) . 2_766
N2 Nd1 O2 Nd1 -169.9(3) . 2_766
C18 Nd1 O2 Nd1 -177.4(5) . 2_766
Si1 Nd1 O2 Nd1 -93.53(18) . 2_766
O1 Nd1 O3 C35 133.0(7) . .
N3 Nd1 O3 C35 17.2(7) . .
O2 Nd1 O3 C35 -105.4(7) 2_766 .
N2 Nd1 O3 C35 124.6(7) . .
O2 Nd1 O3 C35 -143.6(7) . .
C18 Nd1 O3 C35 -177.8(6) . .
Si1 Nd1 O3 C35 -7.6(7) . .
O1 Nd1 O3 C38 -47.2(9) . .
N3 Nd1 O3 C38 -162.9(9) . .
O2 Nd1 O3 C38 74.5(9) 2_766 .
N2 Nd1 O3 C38 -55.6(10) . .
O2 Nd1 O3 C38 36.3(9) . .
C18 Nd1 O3 C38 2.1(10) . .
Si1 Nd1 O3 C38 172.3(8) . .
O1 Nd1 N2 C18 96.6(4) . .
N3 Nd1 N2 C18 -148.9(4) . .
O2 Nd1 N2 C18 -18.1(5) 2_766 .
O3 Nd1 N2 C18 105.1(5) . .
O2 Nd1 N2 C18 -7.7(4) . .
Si1 Nd1 N2 C18 -120.7(4) . .
O1 Nd1 N2 C17 -53.7(5) . .
N3 Nd1 N2 C17 60.7(6) . .
O2 Nd1 N2 C17 -168.4(5) 2_766 .
O3 Nd1 N2 C17 -45.3(8) . .
O2 Nd1 N2 C17 -158.0(6) . .
C18 Nd1 N2 C17 -150.3(8) . .
Si1 Nd1 N2 C17 89.0(5) . .
C30 Si1 N3 Si2 54.5(6) . .
C29 Si1 N3 Si2 172.9(4) . .
C31 Si1 N3 Si2 -69.2(6) . .
Nd1 Si1 N3 Si2 178.5(6) . .
C30 Si1 N3 Nd1 -124.1(5) . .
C29 Si1 N3 Nd1 -5.7(4) . .
C31 Si1 N3 Nd1 112.3(4) . .
C34 Si2 N3 Si1 -179.2(4) . .
C32 Si2 N3 Si1 -60.1(6) . .
C33 Si2 N3 Si1 59.5(6) . .
C34 Si2 N3 Nd1 -0.9(5) . .
C32 Si2 N3 Nd1 118.2(5) . .
C33 Si2 N3 Nd1 -122.2(5) . .
O1 Nd1 N3 Si1 159.4(2) . .
O2 Nd1 N3 Si1 -46.7(3) 2_766 .
O3 Nd1 N3 Si1 -122.2(3) . .
N2 Nd1 N3 Si1 80.7(3) . .
O2 Nd1 N3 Si1 39.1(4) . .
C18 Nd1 N3 Si1 66.1(3) . .
O1 Nd1 N3 Si2 -19.1(4) . .
O2 Nd1 N3 Si2 134.8(3) 2_766 .
O3 Nd1 N3 Si2 59.3(4) . .
N2 Nd1 N3 Si2 -97.8(4) . .
O2 Nd1 N3 Si2 -139.4(3) . .
C18 Nd1 N3 Si2 -112.4(3) . .
Si1 Nd1 N3 Si2 -178.5(6) . .
C12 N1 C1 O1 1.6(11) . .
C12 N1 C1 C2 -178.8(6) . .
Nd1 O1 C1 N1 58.8(10) . .
Nd1 O1 C1 C2 -120.9(6) . .
N1 C1 C2 C7 -28.9(10) . .
O1 C1 C2 C7 150.8(7) . .
N1 C1 C2 C3 152.0(7) . .
O1 C1 C2 C3 -28.3(9) . .
C7 C2 C3 C4 1.0(12) . .
C1 C2 C3 C4 -179.8(7) . .
C2 C3 C4 C5 0.4(14) . .
C3 C4 C5 C6 -2.2(14) . .
C3 C4 C5 C8 179.9(9) . .
C4 C5 C6 C7 2.7(15) . .
C8 C5 C6 C7 -179.4(9) . .
C3 C2 C7 C6 -0.6(13) . .
C1 C2 C7 C6 -179.7(8) . .
C5 C6 C7 C2 -1.3(15) . .
C4 C5 C8 C10 2.0(18) . .
C6 C5 C8 C10 -175.8(14) . .
C4 C5 C8 C11A -143.4(15) . .
C6 C5 C8 C11A 38.8(18) . .
C4 C5 C8 C9A 93.4(16) . .
C6 C5 C8 C9A -84.4(16) . .
C4 C5 C8 C9 133.4(14) . .
C6 C5 C8 C9 -44.4(17) . .
C4 C5 C8 C10A -27.0(17) . .
C6 C5 C8 C10A 155.2(14) . .
C4 C5 C8 C11 -116.3(14) . .
C6 C5 C8 C11 65.9(15) . .
C1 N1 C12 C13 145.1(7) . .
C1 N1 C12 C17 -93.8(7) . .
N1 C12 C13 C14 173.9(7) . .
C17 C12 C13 C14 53.4(9) . .
C12 C13 C14 C15 -55.2(10) . .
C13 C14 C15 C16 55.8(10) . .
C14 C15 C16 C17 -56.4(9) . .
C18 N2 C17 C16 123.5(7) . .
Nd1 N2 C17 C16 -92.2(7) . .
C18 N2 C17 C12 -115.0(7) . .
Nd1 N2 C17 C12 29.3(7) . .
C15 C16 C17 N2 174.7(6) . .
C15 C16 C17 C12 55.2(8) . .
N1 C12 C17 N2 66.1(6) . .
C13 C12 C17 N2 -173.7(5) . .
N1 C12 C17 C16 -173.4(5) . .
C13 C12 C17 C16 -53.2(7) . .
C17 N2 C18 O2 167.7(6) . .
Nd1 N2 C18 O2 13.2(6) . .
C17 N2 C18 C19 -9.2(11) . .
Nd1 N2 C18 C19 -163.7(6) . .
C17 N2 C18 Nd1 154.5(7) . .
Nd1 O2 C18 N2 162.1(6) 2_766 .
Nd1 O2 C18 N2 -12.8(6) . .
Nd1 O2 C18 C19 -20.7(13) 2_766 .
Nd1 O2 C18 C19 164.4(5) . .
Nd1 O2 C18 Nd1 174.9(10) 2_766 .
O1 Nd1 C18 N2 -78.4(4) . .
N3 Nd1 C18 N2 35.6(5) . .
O2 Nd1 C18 N2 163.9(4) 2_766 .
O3 Nd1 C18 N2 -127.4(5) . .
O2 Nd1 C18 N2 166.3(7) . .
Si1 Nd1 C18 N2 62.4(4) . .
O1 Nd1 C18 O2 115.3(4) . .
N3 Nd1 C18 O2 -130.7(4) . .
O2 Nd1 C18 O2 -2.4(5) 2_766 .
O3 Nd1 C18 O2 66.3(6) . .
N2 Nd1 C18 O2 -166.3(7) . .
Si1 Nd1 C18 O2 -103.9(4) . .
O1 Nd1 C18 C19 29.2(18) . .
N3 Nd1 C18 C19 143.2(18) . .
O2 Nd1 C18 C19 -88.4(18) 2_766 .
O3 Nd1 C18 C19 -20(2) . .
N2 Nd1 C18 C19 107.7(19) . .
O2 Nd1 C18 C19 -86.0(18) . .
Si1 Nd1 C18 C19 170.1(18) . .
N2 C18 C19 C20 121.0(8) . .
O2 C18 C19 C20 -55.8(9) . .
Nd1 C18 C19 C20 23(2) . .
N2 C18 C19 C24 -57.4(10) . .
O2 C18 C19 C24 125.8(7) . .
Nd1 C18 C19 C24 -155.8(15) . .
C24 C19 C20 C21 -1.3(10) . .
C18 C19 C20 C21 -179.8(7) . .
C19 C20 C21 C22 0.3(12) . .
C20 C21 C22 C23 -0.2(11) . .
C20 C21 C22 C25 -178.5(7) . .
C21 C22 C23 C24 1.2(11) . .
C25 C22 C23 C24 179.4(7) . .
C22 C23 C24 C19 -2.3(12) . .
C20 C19 C24 C23 2.3(10) . .
C18 C19 C24 C23 -179.3(6) . .
C23 C22 C25 C27 36.0(12) . .
C21 C22 C25 C27 -145.8(9) . .
C23 C22 C25 C26 -84.3(10) . .
C21 C22 C25 C26 93.8(10) . .
C23 C22 C25 C28 158.1(9) . .
C21 C22 C25 C28 -23.8(11) . .
C38 O3 C35 C36A 20(2) . .
Nd1 O3 C35 C36A -160.6(18) . .
C38 O3 C35 C36 33.6(14) . .
Nd1 O3 C35 C36 -146.5(11) . .
O3 C35 C36 C37 -11(2) . .
C36A C35 C36 C37 136(6) . .
C35 C36 C37 C38 -15(3) . .
O3 C35 C36A C37A -12(3) . .
C36 C35 C36A C37A -50(4) . .
C35 C36A C37A C38 1(4) . .
C35 O3 C38 C37 -47.0(17) . .
Nd1 O3 C38 C37 133.1(14) . .
C35 O3 C38 C37A -16.0(19) . .
Nd1 O3 C38 C37A 164.1(15) . .
C36 C37 C38 O3 35(2) . .
C36 C37 C38 C37A -52(3) . .
C36A C37A C38 O3 9(3) . .
C36A C37A C38 C37 110(5) . .
C42 O4 C39 C40 6(6) . .
O4 C39 C40 C41 -25(4) . .
C39 C40 C41 C42 40(5) . .
C39 O4 C42 C41 17(5) . .
C40 C41 C42 O4 -36(5) . .
C42A O4A C39A C40A -23(5) . .
O4A C39A C40A C41A 49(4) . .
C39A C40A C41A C42A -54(4) . .
C39A O4A C42A C41A -11(5) . .
C40A C41A C42A O4A 39(4) . .
C46 O5 C43 C44 -37(4) . .
O5 C43 C44 C45 22(5) . .
C43 C44 C45 C46 1(4) . .
C43 O5 C46 C45 39(4) . .
C44 C45 C46 O5 -25(5) . .
