#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:22:20 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179787 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/83/7008353.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_7008353
loop_
_publ_author_name
'Vitanova, Daniela V.'
'Hampel, Frank'
'Hultzsch, Kai C.'
_publ_section_title
;
 Synthesis and structural characterisation of novel linked
 bis(beta-diketiminato) rare earth metal complexes.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1565
_journal_page_last               1566
_journal_paper_doi               10.1039/b501930c
_journal_year                    2005
_chemical_formula_sum            'C45 H77 La N5 Si2'
_chemical_formula_weight         883.21
_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                92.67(3)
_cell_angle_beta                 102.60(3)
_cell_angle_gamma                99.47(3)
_cell_formula_units_Z            4
_cell_length_a                   11.816(2)
_cell_length_b                   19.038(4)
_cell_length_c                   22.377(5)
_cell_measurement_reflns_used    21027
_cell_measurement_temperature    173(2)
_cell_volume                     4827.8(19)
_computing_cell_refinement       DENZO-SMN
_computing_data_collection       'Nonius Collect'
_computing_data_reduction        DENZO-SMN
_computing_molecular_graphics    'SHELXTL NT'
_computing_publication_material  'SHELXTL NT'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus rotating anode'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0335
_diffrn_reflns_av_sigmaI/netI    0.0578
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            41058
_diffrn_reflns_theta_full        27.52
_diffrn_reflns_theta_max         27.52
_diffrn_reflns_theta_min         1.09
_exptl_absorpt_coefficient_mu    0.968
_exptl_absorpt_correction_T_max  0.7600
_exptl_absorpt_correction_T_min  0.7600
_exptl_absorpt_correction_type   'empirical (Scalepack)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.215
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1868
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.810
_refine_diff_density_min         -0.681
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.997
_refine_ls_hydrogen_treatment    'riding model'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     955
_refine_ls_number_reflns         22127
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0643
_refine_ls_R_factor_gt           0.0383
_refine_ls_shift/su_max          0.374
_refine_ls_shift/su_mean         0.008
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0703P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1002
_refine_ls_wR_factor_ref         0.1174
_reflns_number_gt                16104
_reflns_number_total             22127
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b501930c.txt
_cod_data_source_block           dv05
_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_original_cell_volume        4827.7(17)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7008353
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
La1 La 0.864776(14) 0.128277(9) 0.173551(8) 0.02428(6) Uani 1 1 d . . .
N10 N 0.8923(2) 0.19129(15) 0.08461(13) 0.0383(7) Uani 1 1 d . . .
Si1 Si 0.85952(10) 0.15236(6) 0.01077(5) 0.0476(3) Uani 1 1 d . . .
C1 C 0.9603(7) 0.1907(4) -0.0386(3) 0.133(3) Uani 1 1 d . . .
H1A H 1.0422 0.1897 -0.0181 0.200 Uiso 1 1 calc R . .
H1B H 0.9511 0.2402 -0.0452 0.200 Uiso 1 1 calc R . .
H1C H 0.9402 0.1623 -0.0784 0.200 Uiso 1 1 calc R . .
Si2 Si 0.94788(13) 0.28058(6) 0.09735(6) 0.0628(4) Uani 1 1 d . . .
C2 C 0.7037(5) 0.1554(3) -0.0302(3) 0.095(2) Uani 1 1 d . . .
H2A H 0.6495 0.1352 -0.0053 0.143 Uiso 1 1 calc R . .
H2B H 0.6849 0.1275 -0.0701 0.143 Uiso 1 1 calc R . .
H2C H 0.6954 0.2051 -0.0364 0.143 Uiso 1 1 calc R . .
C3 C 0.8730(4) 0.0567(2) 0.00786(19) 0.0524(10) Uani 1 1 d . . .
H3A H 0.9533 0.0520 0.0285 0.079 Uiso 1 1 calc R . .
H3B H 0.8564 0.0372 -0.0351 0.079 Uiso 1 1 calc R . .
H3C H 0.8166 0.0302 0.0286 0.079 Uiso 1 1 calc R . .
C4 C 0.8637(7) 0.3361(3) 0.0431(3) 0.115(3) Uani 1 1 d . . .
H4A H 0.9189 0.3746 0.0317 0.172 Uiso 1 1 calc R . .
H4B H 0.8094 0.3568 0.0632 0.172 Uiso 1 1 calc R . .
H4C H 0.8188 0.3060 0.0061 0.172 Uiso 1 1 calc R . .
C5 C 0.9412(6) 0.3133(3) 0.1778(2) 0.0870(18) Uani 1 1 d . . .
H5A H 0.9622 0.3655 0.1832 0.131 Uiso 1 1 calc R . .
H5B H 0.9969 0.2927 0.2082 0.131 Uiso 1 1 calc R . .
H5C H 0.8612 0.2984 0.1837 0.131 Uiso 1 1 calc R . .
C6 C 1.1053(5) 0.3065(3) 0.0932(2) 0.103(2) Uani 1 1 d . . .
H6A H 1.1143 0.3494 0.0709 0.154 Uiso 1 1 calc R . .
H6B H 1.1289 0.2674 0.0716 0.154 Uiso 1 1 calc R . .
H6C H 1.1552 0.3164 0.1349 0.154 Uiso 1 1 calc R . .
N4 N 0.9937(2) 0.16465(14) 0.28177(12) 0.0285(6) Uani 1 1 d . . .
C18 C 1.0961(3) 0.19806(18) 0.27369(16) 0.0329(8) Uani 1 1 d . . .
C18A C 1.1772(3) 0.2520(2) 0.32354(19) 0.0509(11) Uani 1 1 d . . .
H18D H 1.1399 0.2565 0.3582 0.076 Uiso 1 1 calc R . .
H18E H 1.1916 0.2985 0.3069 0.076 Uiso 1 1 calc R . .
H18F H 1.2522 0.2356 0.3375 0.076 Uiso 1 1 calc R . .
C17 C 1.1384(3) 0.1857(2) 0.22053(16) 0.0367(8) Uani 1 1 d . . .
H17B H 1.1831 0.2258 0.2074 0.044 Uiso 1 1 calc R . .
C16 C 1.1212(3) 0.1204(2) 0.18493(16) 0.0355(8) Uani 1 1 d . . .
C16A C 1.2110(3) 0.1090(3) 0.14787(19) 0.0549(12) Uani 1 1 d . . .
H16D H 1.2884 0.1116 0.1757 0.082 Uiso 1 1 calc R . .
H16E H 1.2158 0.1462 0.1192 0.082 Uiso 1 1 calc R . .
H16F H 1.1869 0.0620 0.1247 0.082 Uiso 1 1 calc R . .
N3 N 1.0313(2) 0.06934(15) 0.18494(13) 0.0309(6) Uani 1 1 d . . .
C15 C 1.0243(3) -0.00448(19) 0.16048(17) 0.0389(8) Uani 1 1 d . . .
H15C H 1.0922 -0.0247 0.1824 0.047 Uiso 1 1 calc R . .
H15D H 1.0236 -0.0066 0.1161 0.047 Uiso 1 1 calc R . .
C14 C 0.9092(3) -0.04534(18) 0.17106(17) 0.0364(8) Uani 1 1 d . . .
H14C H 0.8912 -0.0936 0.1490 0.044 Uiso 1 1 calc R . .
H14D H 0.9168 -0.0509 0.2155 0.044 Uiso 1 1 calc R . .
N2 N 0.8133(2) -0.00610(14) 0.14854(12) 0.0292(6) Uani 1 1 d . . .
C13 C 0.7233(3) -0.03750(17) 0.10348(15) 0.0302(7) Uani 1 1 d . . .
C13A C 0.7272(3) -0.10755(19) 0.06815(18) 0.0438(9) Uani 1 1 d . . .
H13D H 0.8035 -0.1220 0.0834 0.066 Uiso 1 1 calc R . .
H13E H 0.7167 -0.1007 0.0243 0.066 Uiso 1 1 calc R . .
H13F H 0.6638 -0.1449 0.0741 0.066 Uiso 1 1 calc R . .
C12 C 0.6181(3) -0.01130(18) 0.08593(16) 0.0340(8) Uani 1 1 d . . .
H12B H 0.5682 -0.0324 0.0480 0.041 Uiso 1 1 calc R . .
C11 C 0.5749(3) 0.04169(18) 0.11605(16) 0.0329(8) Uani 1 1 d . . .
C11A C 0.4411(3) 0.0342(2) 0.10000(19) 0.0473(10) Uani 1 1 d . . .
H11D H 0.4180 0.0727 0.1226 0.071 Uiso 1 1 calc R . .
H11E H 0.4058 -0.0121 0.1113 0.071 Uiso 1 1 calc R . .
H11F H 0.4135 0.0371 0.0557 0.071 Uiso 1 1 calc R . .
N1 N 0.6415(2) 0.09179(14) 0.15801(13) 0.0309(6) Uani 1 1 d . . .
C41 C 0.9756(3) 0.16165(18) 0.34299(15) 0.0302(7) Uani 1 1 d . . .
C42 C 1.0094(3) 0.1049(2) 0.37656(17) 0.0391(8) Uani 1 1 d . . .
C47 C 1.0688(4) 0.0489(2) 0.35020(19) 0.0495(10) Uani 1 1 d . . .
H47A H 1.0600 0.0546 0.3053 0.059 Uiso 1 1 calc R . .
C47B C 1.0117(4) -0.0264(2) 0.3568(2) 0.0692(13) Uani 1 1 d . . .
H47B H 0.9274 -0.0335 0.3374 0.104 Uiso 1 1 calc R . .
H47C H 1.0221 -0.0342 0.4005 0.104 Uiso 1 1 calc R . .
H47D H 1.0486 -0.0604 0.3367 0.104 Uiso 1 1 calc R . .
C47A C 1.2001(4) 0.0614(3) 0.3800(3) 0.0921(19) Uani 1 1 d . . .
H47E H 1.2366 0.0252 0.3625 0.138 Uiso 1 1 calc R . .
H47F H 1.2113 0.0580 0.4244 0.138 Uiso 1 1 calc R . .
H47G H 1.2370 0.1091 0.3723 0.138 Uiso 1 1 calc R . .
C43 C 0.9884(3) 0.0999(2) 0.43520(18) 0.0514(10) Uani 1 1 d . . .
H43B H 1.0115 0.0619 0.4581 0.062 Uiso 1 1 calc R . .
C44 C 0.9350(4) 0.1488(3) 0.46077(19) 0.0563(11) Uani 1 1 d . . .
H44B H 0.9212 0.1444 0.5008 0.068 Uiso 1 1 calc R . .
C45 C 0.9019(3) 0.2041(2) 0.42756(19) 0.0504(11) Uani 1 1 d . . .
H45B H 0.8646 0.2376 0.4452 0.060 Uiso 1 1 calc R . .
C46 C 0.9215(3) 0.2123(2) 0.36904(16) 0.0390(9) Uani 1 1 d . . .
C48 C 0.8838(3) 0.2754(2) 0.33490(19) 0.0522(11) Uani 1 1 d . . .
H48H H 0.9028 0.2720 0.2936 0.063 Uiso 1 1 calc R . .
C48B C 0.7523(4) 0.2722(3) 0.3255(3) 0.0853(19) Uani 1 1 d . . .
H48I H 0.7107 0.2260 0.3043 0.128 Uiso 1 1 calc R . .
H48J H 0.7288 0.3107 0.3007 0.128 Uiso 1 1 calc R . .
H48K H 0.7324 0.2780 0.3655 0.128 Uiso 1 1 calc R . .
C48A C 0.9466(4) 0.3479(3) 0.3681(3) 0.0862(18) Uani 1 1 d . . .
H48L H 0.9193 0.3862 0.3440 0.129 Uiso 1 1 calc R . .
H48M H 1.0319 0.3518 0.3727 0.129 Uiso 1 1 calc R . .
H48N H 0.9290 0.3524 0.4087 0.129 Uiso 1 1 calc R . .
C31 C 0.5805(3) 0.12997(19) 0.19455(17) 0.0357(8) Uani 1 1 d . . .
C32 C 0.5572(3) 0.1984(2) 0.17991(18) 0.0435(10) Uani 1 1 d . . .
C37 C 0.5943(4) 0.2350(2) 0.1277(2) 0.0572(12) Uani 1 1 d . . .
H37O H 0.6685 0.2190 0.1227 0.069 Uiso 1 1 calc R . .
C37B C 0.6209(5) 0.3152(3) 0.1389(3) 0.100(2) Uani 1 1 d . . .
H37P H 0.6791 0.3292 0.1779 0.150 Uiso 1 1 calc R . .
H37Q H 0.5484 0.3329 0.1409 0.150 Uiso 1 1 calc R . .
H37R H 0.6526 0.3358 0.1053 0.150 Uiso 1 1 calc R . .
C37A C 0.5042(5) 0.2146(3) 0.0674(3) 0.105(2) Uani 1 1 d . . .
H37S H 0.4858 0.1624 0.0596 0.158 Uiso 1 1 calc R . .
H37T H 0.5362 0.2353 0.0340 0.158 Uiso 1 1 calc R . .
H37U H 0.4322 0.2328 0.0696 0.158 Uiso 1 1 calc R . .
C33 C 0.4935(3) 0.2313(2) 0.2159(2) 0.0563(12) Uani 1 1 d . . .
H33B H 0.4749 0.2768 0.2066 0.068 Uiso 1 1 calc R . .
C34 C 0.4579(3) 0.2002(3) 0.2635(2) 0.0586(13) Uani 1 1 d . . .
H34B H 0.4147 0.2240 0.2866 0.070 Uiso 1 1 calc R . .
C35 C 0.4836(3) 0.1346(3) 0.27861(19) 0.0552(12) Uani 1 1 d . . .
H35B H 0.4596 0.1140 0.3127 0.066 Uiso 1 1 calc R . .
C36 C 0.5454(3) 0.0976(2) 0.24406(18) 0.0428(9) Uani 1 1 d . . .
C38 C 0.5739(3) 0.0259(2) 0.2631(2) 0.0500(10) Uani 1 1 d . . .
H38H H 0.6081 0.0054 0.2305 0.060 Uiso 1 1 calc R . .
C38B C 0.6670(4) 0.0334(3) 0.3236(3) 0.0776(16) Uani 1 1 d . . .
H38I H 0.7368 0.0675 0.3204 0.116 Uiso 1 1 calc R . .
H38J H 0.6891 -0.0132 0.3320 0.116 Uiso 1 1 calc R . .
H38K H 0.6347 0.0508 0.3571 0.116 Uiso 1 1 calc R . .
C38A C 0.4641(4) -0.0279(3) 0.2670(2) 0.0719(14) Uani 1 1 d . . .
H38L H 0.4055 -0.0326 0.2279 0.108 Uiso 1 1 calc R . .
H38M H 0.4306 -0.0109 0.3002 0.108 Uiso 1 1 calc R . .
H38N H 0.4862 -0.0745 0.2755 0.108 Uiso 1 1 calc R . .
Si1' Si -0.43652(8) 0.53203(5) -0.29928(5) 0.0337(2) Uani 1 1 d . . .
C1' C -0.5336(3) 0.5926(2) -0.3395(2) 0.0496(10) Uani 1 1 d . . .
H1'A H -0.5746 0.5704 -0.3805 0.074 Uiso 1 1 calc R . .
H1'B H -0.4851 0.6385 -0.3431 0.074 Uiso 1 1 calc R . .
H1'C H -0.5915 0.6004 -0.3157 0.074 Uiso 1 1 calc R . .
La1' La -0.421990(15) 0.340207(9) -0.303368(8) 0.02486(6) Uani 1 1 d . . .
N1' N -0.2014(2) 0.36348(14) -0.29630(12) 0.0296(6) Uani 1 1 d . . .
Si2' Si -0.64544(8) 0.43799(5) -0.28023(5) 0.0394(2) Uani 1 1 d . . .
C2' C -0.3651(3) 0.58133(19) -0.22222(18) 0.0446(9) Uani 1 1 d . . .
H2'A H -0.3124 0.5530 -0.1981 0.067 Uiso 1 1 calc R . .
H2'B H -0.4260 0.5893 -0.2005 0.067 Uiso 1 1 calc R . .
H2'C H -0.3195 0.6274 -0.2278 0.067 Uiso 1 1 calc R . .
N2' N -0.3269(3) 0.34796(17) -0.19508(13) 0.0384(7) Uani 1 1 d . . .
C3' C -0.3160(3) 0.5331(2) -0.34179(19) 0.0433(9) Uani 1 1 d . . .
H3'A H -0.2618 0.5023 -0.3230 0.065 Uiso 1 1 calc R . .
H3'B H -0.2729 0.5821 -0.3397 0.065 Uiso 1 1 calc R . .
H3'C H -0.3504 0.5155 -0.3849 0.065 Uiso 1 1 calc R . .
N3' N -0.4970(3) 0.23241(16) -0.24839(13) 0.0395(7) Uani 1 1 d . . .
C4' C -0.7659(3) 0.4515(3) -0.3473(2) 0.0621(12) Uani 1 1 d . . .
H4'A H -0.7656 0.4197 -0.3830 0.093 Uiso 1 1 calc R . .
H4'B H -0.7521 0.5013 -0.3574 0.093 Uiso 1 1 calc R . .
H4'C H -0.8424 0.4405 -0.3364 0.093 Uiso 1 1 calc R . .
N4' N -0.5553(2) 0.24490(13) -0.38364(12) 0.0277(6) Uani 1 1 d . . .
C5' C -0.6926(4) 0.3465(2) -0.2583(3) 0.0680(14) Uani 1 1 d . . .
H5'A H -0.6334 0.3360 -0.2235 0.102 Uiso 1 1 calc R . .
H5'B H -0.7009 0.3115 -0.2933 0.102 Uiso 1 1 calc R . .
H5'C H -0.7685 0.3437 -0.2467 0.102 Uiso 1 1 calc R . .
C6' C -0.6537(4) 0.5004(2) -0.2153(2) 0.0615(12) Uani 1 1 d . . .
H6'D H -0.5925 0.4957 -0.1790 0.092 Uiso 1 1 calc R . .
H6'E H -0.7314 0.4887 -0.2058 0.092 Uiso 1 1 calc R . .
H6'F H -0.6414 0.5496 -0.2268 0.092 Uiso 1 1 calc R . .
N10' N -0.5081(2) 0.44662(14) -0.29614(13) 0.0320(6) Uani 1 1 d . . .
C11' C -0.1417(3) 0.41918(18) -0.25677(16) 0.0348(8) Uani 1 1 d . . .
C11B C -0.0209(3) 0.4561(2) -0.2617(2) 0.0497(10) Uani 1 1 d . . .
H11A H 0.0007 0.4336 -0.2968 0.075 Uiso 1 1 calc R . .
H11B H 0.0371 0.4520 -0.2239 0.075 Uiso 1 1 calc R . .
H11C H -0.0222 0.5067 -0.2674 0.075 Uiso 1 1 calc R . .
C12' C -0.1826(3) 0.4465(2) -0.20759(17) 0.0393(8) Uani 1 1 d . . .
H12A H -0.1561 0.4960 -0.1954 0.047 Uiso 1 1 calc R . .
C13' C -0.2581(3) 0.4096(2) -0.17413(16) 0.0390(8) Uani 1 1 d . . .
C13B C -0.2526(4) 0.4428(2) -0.11010(19) 0.0582(11) Uani 1 1 d . . .
H13A H -0.3084 0.4126 -0.0913 0.087 Uiso 1 1 calc R . .
H13B H -0.2733 0.4905 -0.1131 0.087 Uiso 1 1 calc R . .
H13C H -0.1726 0.4466 -0.0847 0.087 Uiso 1 1 calc R . .
C14' C -0.3825(4) 0.3030(2) -0.15411(18) 0.0570(11) Uani 1 1 d . . .
H14A H -0.4502 0.3225 -0.1450 0.068 Uiso 1 1 calc R . .
H14B H -0.3252 0.3013 -0.1149 0.068 Uiso 1 1 calc R . .
C15' C -0.4233(4) 0.2300(2) -0.18684(19) 0.0582(12) Uani 1 1 d . . .
H15A H -0.3539 0.2086 -0.1904 0.070 Uiso 1 1 calc R . .
H15B H -0.4689 0.1993 -0.1626 0.070 Uiso 1 1 calc R . .
C16' C -0.6027(3) 0.19113(19) -0.26301(18) 0.0410(9) Uani 1 1 d . . .
C16B C -0.6563(4) 0.1522(2) -0.2156(2) 0.0620(12) Uani 1 1 d . . .
H16A H -0.6011 0.1623 -0.1753 0.093 Uiso 1 1 calc R . .
H16B H -0.6726 0.1007 -0.2273 0.093 Uiso 1 1 calc R . .
H16C H -0.7300 0.1684 -0.2135 0.093 Uiso 1 1 calc R . .
C17' C -0.6752(3) 0.17973(19) -0.32278(17) 0.0401(8) Uani 1 1 d . . .
H17A H -0.7532 0.1552 -0.3255 0.048 Uiso 1 1 calc R . .
C18' C -0.6505(3) 0.19869(17) -0.37854(17) 0.0337(8) Uani 1 1 d . . .
C18B C -0.7400(3) 0.16235(19) -0.43556(17) 0.0414(9) Uani 1 1 d . . .
H18A H -0.7151 0.1786 -0.4724 0.062 Uiso 1 1 calc R . .
H18B H -0.8173 0.1746 -0.4354 0.062 Uiso 1 1 calc R . .
H18C H -0.7452 0.1104 -0.4357 0.062 Uiso 1 1 calc R . .
C31' C -0.1319(3) 0.32812(17) -0.33002(15) 0.0299(7) Uani 1 1 d . . .
C32' C -0.1165(3) 0.34771(18) -0.38766(16) 0.0336(8) Uani 1 1 d . . .
C33' C -0.0464(3) 0.3121(2) -0.41704(17) 0.0398(8) Uani 1 1 d . . .
H33A H -0.0365 0.3242 -0.4565 0.048 Uiso 1 1 calc R . .
C34' C 0.0085(3) 0.2596(2) -0.38899(18) 0.0438(9) Uani 1 1 d . . .
H34A H 0.0577 0.2368 -0.4089 0.053 Uiso 1 1 calc R . .
C35' C -0.0072(3) 0.2402(2) -0.33314(19) 0.0426(9) Uani 1 1 d . . .
H35A H 0.0307 0.2036 -0.3148 0.051 Uiso 1 1 calc R . .
C36' C -0.0782(3) 0.27310(18) -0.30210(17) 0.0360(8) Uani 1 1 d . . .
C37' C -0.1721(3) 0.4072(2) -0.41931(17) 0.0412(9) Uani 1 1 d . . .
H37A H -0.2058 0.4325 -0.3890 0.049 Uiso 1 1 calc R . .
C37D C -0.2722(4) 0.3771(2) -0.4741(2) 0.0678(14) Uani 1 1 d . . .
H37B H -0.3296 0.3416 -0.4608 0.102 Uiso 1 1 calc R . .
H37C H -0.2407 0.3545 -0.5056 0.102 Uiso 1 1 calc R . .
H37D H -0.3109 0.4159 -0.4911 0.102 Uiso 1 1 calc R . .
C37C C -0.0850(4) 0.4625(2) -0.4414(3) 0.0770(17) Uani 1 1 d . . .
H37E H -0.1263 0.4990 -0.4611 0.116 Uiso 1 1 calc R . .
H37F H -0.0502 0.4390 -0.4710 0.116 Uiso 1 1 calc R . .
H37G H -0.0225 0.4852 -0.4062 0.116 Uiso 1 1 calc R . .
C47' C -0.6532(3) 0.34818(18) -0.46648(16) 0.0343(8) Uani 1 1 d . . .
H37H H -0.6620 0.3405 -0.4237 0.041 Uiso 1 1 calc R . .
C47D C -0.5882(4) 0.4249(2) -0.4666(2) 0.0531(10) Uani 1 1 d . . .
H47H H -0.5093 0.4310 -0.4396 0.080 Uiso 1 1 calc R . .
H47I H -0.6324 0.4587 -0.4519 0.080 Uiso 1 1 calc R . .
H47J H -0.5814 0.4342 -0.5086 0.080 Uiso 1 1 calc R . .
C47C C -0.7767(3) 0.3392(2) -0.5087(2) 0.0502(10) Uani 1 1 d . . .
H47K H -0.8185 0.2902 -0.5087 0.075 Uiso 1 1 calc R . .
H47L H -0.7699 0.3485 -0.5506 0.075 Uiso 1 1 calc R . .
H47M H -0.8205 0.3730 -0.4937 0.075 Uiso 1 1 calc R . .
C38' C -0.0934(3) 0.2499(2) -0.23986(18) 0.0461(9) Uani 1 1 d . . .
H38A H -0.1440 0.2803 -0.2243 0.055 Uiso 1 1 calc R . .
C38D C -0.1535(5) 0.1723(2) -0.2439(3) 0.0755(15) Uani 1 1 d . . .
H38B H -0.2296 0.1652 -0.2736 0.113 Uiso 1 1 calc R . .
H38C H -0.1660 0.1603 -0.2034 0.113 Uiso 1 1 calc R . .
H38D H -0.1035 0.1413 -0.2572 0.113 Uiso 1 1 calc R . .
C38C C 0.0251(5) 0.2604(4) -0.1934(2) 0.104(2) Uani 1 1 d . . .
H38E H 0.0128 0.2450 -0.1538 0.156 Uiso 1 1 calc R . .
H38F H 0.0617 0.3111 -0.1884 0.156 Uiso 1 1 calc R . .
H38G H 0.0769 0.2320 -0.2083 0.156 Uiso 1 1 calc R . .
C41' C -0.5339(3) 0.24735(17) -0.44461(15) 0.0293(7) Uani 1 1 d . . .
C42' C -0.5815(3) 0.29527(18) -0.48472(15) 0.0303(7) Uani 1 1 d . . .
C43' C -0.5613(3) 0.2937(2) -0.54401(16) 0.0388(8) Uani 1 1 d . . .
H43A H -0.5927 0.3258 -0.5716 0.047 Uiso 1 1 calc R . .
C44' C -0.4969(3) 0.2467(2) -0.56341(17) 0.0438(9) Uani 1 1 d . . .
H44A H -0.4856 0.2458 -0.6042 0.053 Uiso 1 1 calc R . .
C45' C -0.4487(3) 0.2009(2) -0.52295(17) 0.0442(9) Uani 1 1 d . . .
H45A H -0.4030 0.1693 -0.5362 0.053 Uiso 1 1 calc R . .
C46' C -0.4657(3) 0.19993(19) -0.46367(16) 0.0357(8) Uani 1 1 d . . .
C48' C -0.4125(4) 0.1476(2) -0.42128(19) 0.0509(10) Uani 1 1 d . . .
H48A H -0.4108 0.1649 -0.3782 0.061 Uiso 1 1 calc R . .
C48D C -0.2856(4) 0.1436(3) -0.4250(3) 0.0755(15) Uani 1 1 d . . .
H48B H -0.2554 0.1094 -0.3970 0.113 Uiso 1 1 calc R . .
H48C H -0.2360 0.1909 -0.4130 0.113 Uiso 1 1 calc R . .
H48D H -0.2843 0.1281 -0.4671 0.113 Uiso 1 1 calc R . .
C48C C -0.4868(5) 0.0739(3) -0.4345(3) 0.098(2) Uani 1 1 d . . .
H48E H -0.5678 0.0766 -0.4321 0.148 Uiso 1 1 calc R . .
H48F H -0.4544 0.0427 -0.4041 0.148 Uiso 1 1 calc R . .
H48G H -0.4865 0.0545 -0.4757 0.148 Uiso 1 1 calc R . .
C105 C 0.6572(13) -0.3123(7) 0.0673(5) 0.223(6) Uani 1 1 d D . .
C101 C 0.9219(12) -0.4429(8) 0.0678(7) 0.218(6) Uani 1 1 d D . .
C104 C 0.655(2) -0.3860(8) 0.0475(6) 0.291(11) Uani 1 1 d D . .
C103 C 0.730(2) -0.4222(15) 0.0558(12) 0.394(17) Uani 1 1 d D . .
C102 C 0.8114(12) -0.4468(13) 0.0588(9) 0.339(13) Uani 1 1 d D . .
C106 C 0.595(2) -0.4082(10) -0.0176(9) 0.414(16) Uani 1 1 d D . .
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'
La La -0.2871 2.4523 '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 La1 N10 98.16(10) . . ?
N3 La1 N2 65.47(9) . . ?
N10 La1 N2 112.22(10) . . ?
N3 La1 N1 137.01(9) . . ?
N10 La1 N1 105.01(10) . . ?
N2 La1 N1 72.33(9) . . ?
N3 La1 N4 72.06(9) . . ?
N10 La1 N4 123.36(9) . . ?
N2 La1 N4 112.93(9) . . ?
N1 La1 N4 119.95(9) . . ?
N3 La1 C16 24.96(10) . . ?
N10 La1 C16 82.32(10) . . ?
N2 La1 C16 89.34(9) . . ?
N1 La1 C16 161.64(9) . . ?
N4 La1 C16 65.96(9) . . ?
N3 La1 Si2 103.36(8) . . ?
N10 La1 Si2 25.44(7) . . ?
N2 La1 Si2 137.23(7) . . ?
N1 La1 Si2 113.13(7) . . ?
N4 La1 Si2 100.74(7) . . ?
C16 La1 Si2 80.78(8) . . ?
N3 La1 Si1 92.29(8) . . ?
N10 La1 Si1 22.55(7) . . ?
N2 La1 Si1 89.94(7) . . ?
N1 La1 Si1 95.54(7) . . ?
N4 La1 Si1 141.74(6) . . ?
C16 La1 Si1 85.00(8) . . ?
Si2 La1 Si1 48.00(4) . . ?
Si2 N10 Si1 118.50(18) . . ?
Si2 N10 La1 116.90(15) . . ?
Si1 N10 La1 124.61(15) . . ?
N10 Si1 C3 112.35(17) . . ?
N10 Si1 C2 111.7(2) . . ?
C3 Si1 C2 106.1(2) . . ?
N10 Si1 C1 115.1(2) . . ?
C3 Si1 C1 102.7(3) . . ?
C2 Si1 C1 108.1(3) . . ?
N10 Si1 La1 32.84(10) . . ?
C3 Si1 La1 83.10(13) . . ?
C2 Si1 La1 108.3(2) . . ?
C1 Si1 La1 139.8(2) . . ?
N10 Si2 C6 115.3(2) . . ?
N10 Si2 C4 113.6(2) . . ?
C6 Si2 C4 105.8(3) . . ?
N10 Si2 C5 109.3(2) . . ?
C6 Si2 C5 105.7(3) . . ?
C4 Si2 C5 106.6(3) . . ?
N10 Si2 La1 37.66(10) . . ?
C6 Si2 La1 119.1(2) . . ?
C4 Si2 La1 133.8(2) . . ?
C5 Si2 La1 72.56(16) . . ?
C18 N4 C41 118.9(3) . . ?
C18 N4 La1 105.4(2) . . ?
C41 N4 La1 135.38(19) . . ?
N4 C18 C17 123.5(3) . . ?
N4 C18 C18A 120.5(3) . . ?
C17 C18 C18A 116.0(3) . . ?
C16 C17 C18 126.8(3) . . ?
N3 C16 C17 121.0(3) . . ?
N3 C16 C16A 120.5(3) . . ?
C17 C16 C16A 118.4(3) . . ?
N3 C16 La1 50.14(16) . . ?
C17 C16 La1 82.79(19) . . ?
C16A C16 La1 143.1(2) . . ?
C16 N3 C15 122.7(3) . . ?
C16 N3 La1 104.9(2) . . ?
C15 N3 La1 123.54(19) . . ?
N3 C15 C14 105.3(3) . . ?
N2 C14 C15 109.4(3) . . ?
C13 N2 C14 118.7(3) . . ?
C13 N2 La1 122.9(2) . . ?
C14 N2 La1 115.20(19) . . ?
N2 C13 C12 123.7(3) . . ?
N2 C13 C13A 121.3(3) . . ?
C12 C13 C13A 115.0(3) . . ?
C13 C12 C11 129.8(3) . . ?
N1 C11 C12 124.5(3) . . ?
N1 C11 C11A 121.1(3) . . ?
C12 C11 C11A 114.3(3) . . ?
C11 N1 C31 116.4(3) . . ?
C11 N1 La1 124.4(2) . . ?
C31 N1 La1 119.12(19) . . ?
C42 C41 C46 119.8(3) . . ?
C42 C41 N4 118.4(3) . . ?
C46 C41 N4 121.8(3) . . ?
C43 C42 C41 118.9(3) . . ?
C43 C42 C47 119.6(4) . . ?
C41 C42 C47 121.6(3) . . ?
C47B C47 C47A 110.5(4) . . ?
C47B C47 C42 112.2(4) . . ?
C47A C47 C42 110.7(4) . . ?
C44 C43 C42 121.7(4) . . ?
C43 C44 C45 119.1(4) . . ?
C44 C45 C46 121.9(4) . . ?
C45 C46 C41 118.6(4) . . ?
C45 C46 C48 119.3(3) . . ?
C41 C46 C48 122.1(3) . . ?
C48B C48 C48A 108.4(4) . . ?
C48B C48 C46 110.6(4) . . ?
C48A C48 C46 113.2(3) . . ?
C36 C31 C32 121.4(3) . . ?
C36 C31 N1 118.6(3) . . ?
C32 C31 N1 120.1(3) . . ?
C33 C32 C31 117.0(4) . . ?
C33 C32 C37 120.1(4) . . ?
C31 C32 C37 122.8(3) . . ?
C32 C37 C37B 113.3(4) . . ?
C32 C37 C37A 112.5(4) . . ?
C37B C37 C37A 108.6(4) . . ?
C34 C33 C32 122.2(4) . . ?
C33 C34 C35 120.6(4) . . ?
C34 C35 C36 120.7(4) . . ?
C31 C36 C35 118.1(4) . . ?
C31 C36 C38 122.9(3) . . ?
C35 C36 C38 118.9(4) . . ?
C36 C38 C38B 112.0(4) . . ?
C36 C38 C38A 112.8(3) . . ?
C38B C38 C38A 110.2(4) . . ?
N10' Si1' C3' 111.71(15) . . ?
N10' Si1' C2' 114.37(17) . . ?
C3' Si1' C2' 105.87(17) . . ?
N10' Si1' C1' 114.41(16) . . ?
C3' Si1' C1' 105.25(18) . . ?
C2' Si1' C1' 104.38(18) . . ?
N10' Si1' La1' 32.88(9) . . ?
C3' Si1' La1' 81.56(12) . . ?
C2' Si1' La1' 113.09(13) . . ?
C1' Si1' La1' 138.50(13) . . ?
N2' La1' N10' 95.21(10) . . ?
N2' La1' N1' 73.34(10) . . ?
N10' La1' N1' 114.96(9) . . ?
N2' La1' N4' 136.97(10) . . ?
N10' La1' N4' 111.81(9) . . ?
N1' La1' N4' 119.32(9) . . ?
N2' La1' N3' 66.65(10) . . ?
N10' La1' N3' 117.69(10) . . ?
N1' La1' N3' 114.97(9) . . ?
N4' La1' N3' 71.17(9) . . ?
N2' La1' Si2' 94.38(8) . . ?
N10' La1' Si2' 24.94(7) . . ?
N1' La1' Si2' 138.47(6) . . ?
N4' La1' Si2' 96.97(6) . . ?
N3' La1' Si2' 94.43(7) . . ?
N2' La1' Si1' 92.88(8) . . ?
N10' La1' Si1' 22.60(6) . . ?
N1' La1' Si1' 92.72(7) . . ?
N4' La1' Si1' 124.65(6) . . ?
N3' La1' Si1' 136.67(7) . . ?
Si2' La1' Si1' 47.47(3) . . ?
C11' N1' C31' 115.7(3) . . ?
C11' N1' La1' 114.1(2) . . ?
C31' N1' La1' 130.13(19) . . ?
N10' Si2' C5' 110.77(17) . . ?
N10' Si2' C6' 114.09(17) . . ?
C5' Si2' C6' 105.8(2) . . ?
N10' Si2' C4' 114.09(18) . . ?
C5' Si2' C4' 105.4(2) . . ?
C6' Si2' C4' 106.0(2) . . ?
N10' Si2' La1' 36.51(9) . . ?
C5' Si2' La1' 74.71(14) . . ?
C6' Si2' La1' 131.93(15) . . ?
C4' Si2' La1' 120.42(14) . . ?
C13' N2' C14' 121.0(3) . . ?
C13' N2' La1' 114.2(2) . . ?
C14' N2' La1' 119.3(2) . . ?
C16' N3' C15' 117.9(3) . . ?
C16' N3' La1' 127.3(2) . . ?
C15' N3' La1' 112.9(2) . . ?
C18' N4' C41' 115.6(3) . . ?
C18' N4' La1' 128.6(2) . . ?
C41' N4' La1' 115.29(18) . . ?
Si1' N10' Si2' 116.69(15) . . ?
Si1' N10' La1' 124.52(13) . . ?
Si2' N10' La1' 118.55(14) . . ?
N1' C11' C12' 124.1(3) . . ?
N1' C11' C11B 120.9(3) . . ?
C12' C11' C11B 115.0(3) . . ?
C11' C12' C13' 128.0(3) . . ?
N2' C13' C12' 122.7(3) . . ?
N2' C13' C13B 120.5(4) . . ?
C12' C13' C13B 116.7(3) . . ?
N2' C14' C15' 106.9(3) . . ?
N3' C15' C14' 111.3(3) . . ?
N3' C16' C17' 124.0(3) . . ?
N3' C16' C16B 122.0(4) . . ?
C17' C16' C16B 114.0(3) . . ?
C18' C17' C16' 130.2(3) . . ?
N4' C18' C17' 124.1(3) . . ?
N4' C18' C18B 120.6(3) . . ?
C17' C18' C18B 115.3(3) . . ?
C32' C31' C36' 120.7(3) . . ?
C32' C31' N1' 122.0(3) . . ?
C36' C31' N1' 117.3(3) . . ?
C33' C32' C31' 118.9(3) . . ?
C33' C32' C37' 118.7(3) . . ?
C31' C32' C37' 122.4(3) . . ?
C34' C33' C32' 120.4(4) . . ?
C35' C34' C33' 120.7(3) . . ?
C34' C35' C36' 121.3(3) . . ?
C35' C36' C31' 118.0(3) . . ?
C35' C36' C38' 119.7(3) . . ?
C31' C36' C38' 122.3(3) . . ?
C37D C37' C37C 108.1(3) . . ?
C37D C37' C32' 111.3(3) . . ?
C37C C37' C32' 113.7(3) . . ?
C42' C47' C47C 112.8(3) . . ?
C42' C47' C47D 110.1(3) . . ?
C47C C47' C47D 109.2(3) . . ?
C36' C38' C38D 112.1(4) . . ?
C36' C38' C38C 111.2(4) . . ?
C38D C38' C38C 109.1(4) . . ?
C42' C41' C46' 120.6(3) . . ?
C42' C41' N4' 120.6(3) . . ?
C46' C41' N4' 118.8(3) . . ?
C43' C42' C41' 118.2(3) . . ?
C43' C42' C47' 118.8(3) . . ?
C41' C42' C47' 122.9(3) . . ?
C44' C43' C42' 121.6(3) . . ?
C43' C44' C45' 119.4(4) . . ?
C46' C45' C44' 121.6(3) . . ?
C45' C46' C41' 118.5(3) . . ?
C45' C46' C48' 119.6(3) . . ?
C41' C46' C48' 121.9(3) . . ?
C48C C48' C46' 111.4(4) . . ?
C48C C48' C48D 109.6(4) . . ?
C46' C48' C48D 112.5(4) . . ?
C103 C104 C105 131(2) . . ?
C103 C104 C106 101.6(18) . . ?
C105 C104 C106 115.2(13) . . ?
C102 C103 C104 168(4) . . ?
C103 C102 C101 152(3) . . ?
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
La1 N3 2.394(3) . ?
La1 N10 2.425(3) . ?
La1 N2 2.536(3) . ?
La1 N1 2.557(3) . ?
La1 N4 2.559(3) . ?
La1 C16 3.014(3) . ?
La1 Si2 3.5401(16) . ?
La1 Si1 3.6808(13) . ?
N10 Si2 1.705(3) . ?
N10 Si1 1.715(3) . ?
Si1 C3 1.854(4) . ?
Si1 C2 1.881(5) . ?
Si1 C1 1.881(5) . ?
Si2 C6 1.868(6) . ?
Si2 C4 1.876(5) . ?
Si2 C5 1.900(5) . ?
N4 C18 1.325(4) . ?
N4 C41 1.434(4) . ?
C18 C17 1.411(5) . ?
C18 C18A 1.523(5) . ?
C17 C16 1.406(5) . ?
C16 N3 1.316(4) . ?
C16 C16A 1.518(5) . ?
N3 C15 1.467(4) . ?
C15 C14 1.523(5) . ?
C14 N2 1.470(4) . ?
N2 C13 1.331(4) . ?
C13 C12 1.399(5) . ?
C13 C13A 1.531(4) . ?
C12 C11 1.410(5) . ?
C11 N1 1.326(4) . ?
C11 C11A 1.523(4) . ?
N1 C31 1.446(4) . ?
C41 C42 1.407(5) . ?
C41 C46 1.411(5) . ?
C42 C43 1.392(5) . ?
C42 C47 1.531(5) . ?
C47 C47B 1.508(6) . ?
C47 C47A 1.524(6) . ?
C43 C44 1.375(6) . ?
C44 C45 1.377(6) . ?
C45 C46 1.390(5) . ?
C46 C48 1.530(6) . ?
C48 C48B 1.512(6) . ?
C48 C48A 1.528(6) . ?
C31 C36 1.399(6) . ?
C31 C32 1.414(5) . ?
C32 C33 1.406(5) . ?
C32 C37 1.497(6) . ?
C37 C37B 1.506(6) . ?
C37 C37A 1.515(7) . ?
C33 C34 1.354(7) . ?
C34 C35 1.373(6) . ?
C35 C36 1.412(5) . ?
C36 C38 1.518(6) . ?
C38 C38B 1.531(6) . ?
C38 C38A 1.536(6) . ?
Si1' N10' 1.717(3) . ?
Si1' C3' 1.875(4) . ?
Si1' C2' 1.876(4) . ?
Si1' C1' 1.879(4) . ?
Si1' La1' 3.6819(12) . ?
La1' N2' 2.425(3) . ?
La1' N10' 2.426(3) . ?
La1' N1' 2.540(3) . ?
La1' N4' 2.554(3) . ?
La1' N3' 2.573(3) . ?
La1' Si2' 3.5818(13) . ?
N1' C11' 1.341(4) . ?
N1' C31' 1.450(4) . ?
Si2' N10' 1.719(3) . ?
Si2' C5' 1.862(5) . ?
Si2' C6' 1.864(4) . ?
Si2' C4' 1.889(4) . ?
N2' C13' 1.314(5) . ?
N2' C14' 1.468(5) . ?
N3' C16' 1.327(5) . ?
N3' C15' 1.467(5) . ?
N4' C18' 1.338(4) . ?
N4' C41' 1.442(4) . ?
C11' C12' 1.407(5) . ?
C11' C11B 1.513(5) . ?
C12' C13' 1.408(5) . ?
C13' C13B 1.522(5) . ?
C14' C15' 1.494(6) . ?
C16' C17' 1.407(5) . ?
C16' C16B 1.513(5) . ?
C17' C18' 1.392(5) . ?
C18' C18B 1.521(5) . ?
C31' C32' 1.400(5) . ?
C31' C36' 1.413(5) . ?
C32' C33' 1.399(5) . ?
C32' C37' 1.528(5) . ?
C33' C34' 1.381(5) . ?
C34' C35' 1.362(5) . ?
C35' C36' 1.402(5) . ?
C36' C38' 1.519(5) . ?
C37' C37D 1.519(6) . ?
C37' C37C 1.525(6) . ?
C47' C42' 1.514(5) . ?
C47' C47C 1.534(5) . ?
C47' C47D 1.536(5) . ?
C38' C38D 1.520(6) . ?
C38' C38C 1.528(6) . ?
C41' C42' 1.407(4) . ?
C41' C46' 1.414(5) . ?
C42' C43' 1.398(5) . ?
C43' C44' 1.378(5) . ?
C44' C45' 1.385(5) . ?
C45' C46' 1.385(5) . ?
C46' C48' 1.523(5) . ?
C48' C48C 1.507(6) . ?
C48' C48D 1.534(6) . ?
C105 C104 1.447(13) . ?
C101 C102 1.266(11) . ?
C104 C103 1.201(13) . ?
C104 C106 1.481(14) . ?
C103 C102 1.122(12) . ?
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
N3 La1 N10 Si2 -104.01(17) . . . . ?
N2 La1 N10 Si2 -170.77(14) . . . . ?
N1 La1 N10 Si2 112.53(16) . . . . ?
N4 La1 N10 Si2 -30.2(2) . . . . ?
C16 La1 N10 Si2 -84.65(17) . . . . ?
Si1 La1 N10 Si2 179.9(3) . . . . ?
N3 La1 N10 Si1 76.12(18) . . . . ?
N2 La1 N10 Si1 9.4(2) . . . . ?
N1 La1 N10 Si1 -67.34(19) . . . . ?
N4 La1 N10 Si1 149.97(15) . . . . ?
C16 La1 N10 Si1 95.48(19) . . . . ?
Si2 La1 N10 Si1 -179.9(3) . . . . ?
Si2 N10 Si1 C3 151.4(2) . . . . ?
La1 N10 Si1 C3 -28.8(2) . . . . ?
Si2 N10 Si1 C2 -89.6(3) . . . . ?
La1 N10 Si1 C2 90.3(3) . . . . ?
Si2 N10 Si1 C1 34.3(4) . . . . ?
La1 N10 Si1 C1 -145.9(3) . . . . ?
Si2 N10 Si1 La1 -179.9(3) . . . . ?
N3 La1 Si1 N10 -105.90(19) . . . . ?
N2 La1 Si1 N10 -171.34(19) . . . . ?
N1 La1 Si1 N10 116.42(19) . . . . ?
N4 La1 Si1 N10 -42.5(2) . . . . ?
C16 La1 Si1 N10 -82.0(2) . . . . ?
Si2 La1 Si1 N10 0.08(18) . . . . ?
N3 La1 Si1 C3 47.46(15) . . . . ?
N10 La1 Si1 C3 153.4(2) . . . . ?
N2 La1 Si1 C3 -17.99(15) . . . . ?
N1 La1 Si1 C3 -90.22(15) . . . . ?
N4 La1 Si1 C3 110.90(16) . . . . ?
C16 La1 Si1 C3 71.35(16) . . . . ?
Si2 La1 Si1 C3 153.43(14) . . . . ?
N3 La1 Si1 C2 152.15(18) . . . . ?
N10 La1 Si1 C2 -102.0(2) . . . . ?
N2 La1 Si1 C2 86.71(18) . . . . ?
N1 La1 Si1 C2 14.47(17) . . . . ?
N4 La1 Si1 C2 -144.41(18) . . . . ?
C16 La1 Si1 C2 176.04(18) . . . . ?
Si2 La1 Si1 C2 -101.88(17) . . . . ?
N3 La1 Si1 C1 -54.1(4) . . . . ?
N10 La1 Si1 C1 51.8(4) . . . . ?
N2 La1 Si1 C1 -119.5(4) . . . . ?
N1 La1 Si1 C1 168.3(4) . . . . ?
N4 La1 Si1 C1 9.4(4) . . . . ?
C16 La1 Si1 C1 -30.2(4) . . . . ?
Si2 La1 Si1 C1 51.9(4) . . . . ?
Si1 N10 Si2 C6 -74.6(3) . . . . ?
La1 N10 Si2 C6 105.5(2) . . . . ?
Si1 N10 Si2 C4 47.7(3) . . . . ?
La1 N10 Si2 C4 -132.2(3) . . . . ?
Si1 N10 Si2 C5 166.6(2) . . . . ?
La1 N10 Si2 C5 -13.3(3) . . . . ?
Si1 N10 Si2 La1 179.9(3) . . . . ?
N3 La1 Si2 N10 80.81(18) . . . . ?
N2 La1 Si2 N10 12.6(2) . . . . ?
N1 La1 Si2 N10 -75.97(18) . . . . ?
N4 La1 Si2 N10 154.72(18) . . . . ?
C16 La1 Si2 N10 91.51(18) . . . . ?
Si1 La1 Si2 N10 -0.07(16) . . . . ?
N3 La1 Si2 C6 -13.7(2) . . . . ?
N10 La1 Si2 C6 -94.5(3) . . . . ?
N2 La1 Si2 C6 -81.9(2) . . . . ?
N1 La1 Si2 C6 -170.5(2) . . . . ?
N4 La1 Si2 C6 60.2(2) . . . . ?
C16 La1 Si2 C6 -3.0(2) . . . . ?
Si1 La1 Si2 C6 -94.6(2) . . . . ?
N3 La1 Si2 C4 151.1(3) . . . . ?
N10 La1 Si2 C4 70.3(3) . . . . ?
N2 La1 Si2 C4 82.9(3) . . . . ?
N1 La1 Si2 C4 -5.7(3) . . . . ?
N4 La1 Si2 C4 -135.0(3) . . . . ?
C16 La1 Si2 C4 161.8(3) . . . . ?
Si1 La1 Si2 C4 70.2(3) . . . . ?
N3 La1 Si2 C5 -112.4(2) . . . . ?
N10 La1 Si2 C5 166.8(3) . . . . ?
N2 La1 Si2 C5 179.4(2) . . . . ?
N1 La1 Si2 C5 90.8(2) . . . . ?
N4 La1 Si2 C5 -38.5(2) . . . . ?
C16 La1 Si2 C5 -101.7(2) . . . . ?
Si1 La1 Si2 C5 166.8(2) . . . . ?
N3 La1 N4 C18 61.8(2) . . . . ?
N10 La1 N4 C18 -26.2(2) . . . . ?
N2 La1 N4 C18 114.2(2) . . . . ?
N1 La1 N4 C18 -163.69(19) . . . . ?
C16 La1 N4 C18 35.8(2) . . . . ?
Si2 La1 N4 C18 -38.9(2) . . . . ?
Si1 La1 N4 C18 -8.1(3) . . . . ?
N3 La1 N4 C41 -124.0(3) . . . . ?
N10 La1 N4 C41 148.0(3) . . . . ?
N2 La1 N4 C41 -71.7(3) . . . . ?
N1 La1 N4 C41 10.5(3) . . . . ?
C16 La1 N4 C41 -150.0(3) . . . . ?
Si2 La1 N4 C41 135.3(3) . . . . ?
Si1 La1 N4 C41 166.0(2) . . . . ?
C41 N4 C18 C17 159.0(3) . . . . ?
La1 N4 C18 C17 -25.7(4) . . . . ?
C41 N4 C18 C18A -19.6(5) . . . . ?
La1 N4 C18 C18A 155.7(3) . . . . ?
N4 C18 C17 C16 -34.5(6) . . . . ?
C18A C18 C17 C16 144.1(4) . . . . ?
C18 C17 C16 N3 23.7(6) . . . . ?
C18 C17 C16 C16A -154.4(4) . . . . ?
C18 C17 C16 La1 57.6(3) . . . . ?
N10 La1 C16 N3 -129.0(2) . . . . ?
N2 La1 C16 N3 -16.4(2) . . . . ?
N1 La1 C16 N3 -13.9(4) . . . . ?
N4 La1 C16 N3 99.1(2) . . . . ?
Si2 La1 C16 N3 -154.7(2) . . . . ?
Si1 La1 C16 N3 -106.4(2) . . . . ?
N3 La1 C16 C17 -141.5(4) . . . . ?
N10 La1 C16 C17 89.6(2) . . . . ?
N2 La1 C16 C17 -157.9(2) . . . . ?
N1 La1 C16 C17 -155.4(3) . . . . ?
N4 La1 C16 C17 -42.3(2) . . . . ?
Si2 La1 C16 C17 63.9(2) . . . . ?
Si1 La1 C16 C17 112.1(2) . . . . ?
N3 La1 C16 C16A 89.5(5) . . . . ?
N10 La1 C16 C16A -39.5(5) . . . . ?
N2 La1 C16 C16A 73.0(5) . . . . ?
N1 La1 C16 C16A 75.5(6) . . . . ?
N4 La1 C16 C16A -171.4(5) . . . . ?
Si2 La1 C16 C16A -65.2(5) . . . . ?
Si1 La1 C16 C16A -17.0(5) . . . . ?
C17 C16 N3 C15 -165.5(3) . . . . ?
C16A C16 N3 C15 12.5(5) . . . . ?
La1 C16 N3 C15 148.3(4) . . . . ?
C17 C16 N3 La1 46.2(4) . . . . ?
C16A C16 N3 La1 -135.8(3) . . . . ?
N10 La1 N3 C16 51.1(2) . . . . ?
N2 La1 N3 C16 161.9(2) . . . . ?
N1 La1 N3 C16 173.62(19) . . . . ?
N4 La1 N3 C16 -71.4(2) . . . . ?
Si2 La1 N3 C16 25.7(2) . . . . ?
Si1 La1 N3 C16 73.0(2) . . . . ?
N10 La1 N3 C15 -96.9(3) . . . . ?
N2 La1 N3 C15 13.9(2) . . . . ?
N1 La1 N3 C15 25.7(3) . . . . ?
N4 La1 N3 C15 140.6(3) . . . . ?
C16 La1 N3 C15 -148.0(4) . . . . ?
Si2 La1 N3 C15 -122.2(3) . . . . ?
Si1 La1 N3 C15 -75.0(3) . . . . ?
C16 N3 C15 C14 178.6(3) . . . . ?
La1 N3 C15 C14 -39.0(4) . . . . ?
N3 C15 C14 N2 49.3(4) . . . . ?
C15 C14 N2 C13 118.7(3) . . . . ?
C15 C14 N2 La1 -41.8(3) . . . . ?
N3 La1 N2 C13 -143.4(3) . . . . ?
N10 La1 N2 C13 -54.4(3) . . . . ?
N1 La1 N2 C13 45.0(2) . . . . ?
N4 La1 N2 C13 160.7(2) . . . . ?
C16 La1 N2 C13 -135.9(2) . . . . ?
Si2 La1 N2 C13 -60.3(3) . . . . ?
Si1 La1 N2 C13 -50.9(2) . . . . ?
N3 La1 N2 C14 16.2(2) . . . . ?
N10 La1 N2 C14 105.2(2) . . . . ?
N1 La1 N2 C14 -155.4(2) . . . . ?
N4 La1 N2 C14 -39.7(2) . . . . ?
C16 La1 N2 C14 23.7(2) . . . . ?
Si2 La1 N2 C14 99.3(2) . . . . ?
Si1 La1 N2 C14 108.7(2) . . . . ?
C14 N2 C13 C12 168.1(3) . . . . ?
La1 N2 C13 C12 -33.0(4) . . . . ?
C14 N2 C13 C13A -9.9(5) . . . . ?
La1 N2 C13 C13A 149.0(3) . . . . ?
N2 C13 C12 C11 -12.9(6) . . . . ?
C13A C13 C12 C11 165.2(4) . . . . ?
C13 C12 C11 N1 21.3(6) . . . . ?
C13 C12 C11 C11A -154.4(4) . . . . ?
C12 C11 N1 C31 -165.2(3) . . . . ?
C11A C11 N1 C31 10.3(5) . . . . ?
C12 C11 N1 La1 18.2(5) . . . . ?
C11A C11 N1 La1 -166.3(3) . . . . ?
N3 La1 N1 C11 -49.2(3) . . . . ?
N10 La1 N1 C11 71.0(3) . . . . ?
N2 La1 N1 C11 -38.0(3) . . . . ?
N4 La1 N1 C11 -144.8(3) . . . . ?
C16 La1 N1 C11 -40.6(5) . . . . ?
Si2 La1 N1 C11 96.6(3) . . . . ?
Si1 La1 N1 C11 50.2(3) . . . . ?
N3 La1 N1 C31 134.2(2) . . . . ?
N10 La1 N1 C31 -105.6(3) . . . . ?
N2 La1 N1 C31 145.5(3) . . . . ?
N4 La1 N1 C31 38.7(3) . . . . ?
C16 La1 N1 C31 142.8(3) . . . . ?
Si2 La1 N1 C31 -80.0(3) . . . . ?
Si1 La1 N1 C31 -126.4(2) . . . . ?
C18 N4 C41 C42 -88.1(4) . . . . ?
La1 N4 C41 C42 98.3(3) . . . . ?
C18 N4 C41 C46 94.3(4) . . . . ?
La1 N4 C41 C46 -79.3(4) . . . . ?
C46 C41 C42 C43 0.0(5) . . . . ?
N4 C41 C42 C43 -177.7(3) . . . . ?
C46 C41 C42 C47 -179.8(3) . . . . ?
N4 C41 C42 C47 2.5(5) . . . . ?
C43 C42 C47 C47B 49.1(5) . . . . ?
C41 C42 C47 C47B -131.1(4) . . . . ?
C43 C42 C47 C47A -74.9(5) . . . . ?
C41 C42 C47 C47A 104.9(4) . . . . ?
C41 C42 C43 C44 0.4(6) . . . . ?
C47 C42 C43 C44 -179.8(4) . . . . ?
C42 C43 C44 C45 -0.2(6) . . . . ?
C43 C44 C45 C46 -0.4(6) . . . . ?
C44 C45 C46 C41 0.8(6) . . . . ?
C44 C45 C46 C48 -179.3(4) . . . . ?
C42 C41 C46 C45 -0.6(5) . . . . ?
N4 C41 C46 C45 177.0(3) . . . . ?
C42 C41 C46 C48 179.5(3) . . . . ?
N4 C41 C46 C48 -2.9(5) . . . . ?
C45 C46 C48 C48B -60.3(5) . . . . ?
C41 C46 C48 C48B 119.5(4) . . . . ?
C45 C46 C48 C48A 61.5(5) . . . . ?
C41 C46 C48 C48A -118.6(4) . . . . ?
C11 N1 C31 C36 80.1(4) . . . . ?
La1 N1 C31 C36 -103.1(3) . . . . ?
C11 N1 C31 C32 -99.7(4) . . . . ?
La1 N1 C31 C32 77.1(3) . . . . ?
C36 C31 C32 C33 -2.2(5) . . . . ?
N1 C31 C32 C33 177.6(3) . . . . ?
C36 C31 C32 C37 179.4(3) . . . . ?
N1 C31 C32 C37 -0.8(5) . . . . ?
C33 C32 C37 C37B 32.4(5) . . . . ?
C31 C32 C37 C37B -149.3(4) . . . . ?
C33 C32 C37 C37A -91.3(5) . . . . ?
C31 C32 C37 C37A 87.0(5) . . . . ?
C31 C32 C33 C34 1.5(5) . . . . ?
C37 C32 C33 C34 179.9(4) . . . . ?
C32 C33 C34 C35 0.3(6) . . . . ?
C33 C34 C35 C36 -1.4(6) . . . . ?
C32 C31 C36 C35 1.2(5) . . . . ?
N1 C31 C36 C35 -178.6(3) . . . . ?
C32 C31 C36 C38 -177.0(3) . . . . ?
N1 C31 C36 C38 3.1(5) . . . . ?
C34 C35 C36 C31 0.6(5) . . . . ?
C34 C35 C36 C38 178.9(3) . . . . ?
C31 C36 C38 C38B 108.5(4) . . . . ?
C35 C36 C38 C38B -69.8(5) . . . . ?
C31 C36 C38 C38A -126.4(4) . . . . ?
C35 C36 C38 C38A 55.3(5) . . . . ?
N10' Si1' La1' N2' -96.65(19) . . . . ?
C3' Si1' La1' N2' 106.67(14) . . . . ?
C2' Si1' La1' N2' 2.95(15) . . . . ?
C1' Si1' La1' N2' -149.8(2) . . . . ?
C3' Si1' La1' N10' -156.7(2) . . . . ?
C2' Si1' La1' N10' 99.6(2) . . . . ?
C1' Si1' La1' N10' -53.2(3) . . . . ?
N10' Si1' La1' N1' -170.09(19) . . . . ?
C3' Si1' La1' N1' 33.22(14) . . . . ?
C2' Si1' La1' N1' -70.50(15) . . . . ?
C1' Si1' La1' N1' 136.7(2) . . . . ?
N10' Si1' La1' N4' 60.95(19) . . . . ?
C3' Si1' La1' N4' -95.74(14) . . . . ?
C2' Si1' La1' N4' 160.54(15) . . . . ?
C1' Si1' La1' N4' 7.8(2) . . . . ?
N10' Si1' La1' N3' -38.3(2) . . . . ?
C3' Si1' La1' N3' 165.00(16) . . . . ?
C2' Si1' La1' N3' 61.28(17) . . . . ?
C1' Si1' La1' N3' -91.5(2) . . . . ?
N10' Si1' La1' Si2' -3.35(18) . . . . ?
C3' Si1' La1' Si2' -160.03(13) . . . . ?
C2' Si1' La1' Si2' 96.25(14) . . . . ?
C1' Si1' La1' Si2' -56.5(2) . . . . ?
N2' La1' N1' C11' -51.2(2) . . . . ?
N10' La1' N1' C11' 36.8(3) . . . . ?
N4' La1' N1' C11' 173.8(2) . . . . ?
N3' La1' N1' C11' -104.6(2) . . . . ?
Si2' La1' N1' C11' 26.3(3) . . . . ?
Si1' La1' N1' C11' 41.0(2) . . . . ?
N2' La1' N1' C31' 131.8(3) . . . . ?
N10' La1' N1' C31' -140.1(3) . . . . ?
N4' La1' N1' C31' -3.1(3) . . . . ?
N3' La1' N1' C31' 78.4(3) . . . . ?
Si2' La1' N1' C31' -150.7(2) . . . . ?
Si1' La1' N1' C31' -136.0(3) . . . . ?
N2' La1' Si2' N10' 92.94(18) . . . . ?
N1' La1' Si2' N10' 23.25(19) . . . . ?
N4' La1' Si2' N10' -128.65(17) . . . . ?
N3' La1' Si2' N10' 159.81(18) . . . . ?
Si1' La1' Si2' N10' 3.05(16) . . . . ?
N2' La1' Si2' C5' -77.8(2) . . . . ?
N10' La1' Si2' C5' -170.8(2) . . . . ?
N1' La1' Si2' C5' -147.5(2) . . . . ?
N4' La1' Si2' C5' 60.60(19) . . . . ?
N3' La1' Si2' C5' -10.94(19) . . . . ?
Si1' La1' Si2' C5' -167.71(19) . . . . ?
N2' La1' Si2' C6' 19.9(2) . . . . ?
N10' La1' Si2' C6' -73.1(3) . . . . ?
N1' La1' Si2' C6' -49.8(2) . . . . ?
N4' La1' Si2' C6' 158.3(2) . . . . ?
N3' La1' Si2' C6' 86.7(2) . . . . ?
Si1' La1' Si2' C6' -70.0(2) . . . . ?
N2' La1' Si2' C4' -176.92(19) . . . . ?
N10' La1' Si2' C4' 90.1(2) . . . . ?
N1' La1' Si2' C4' 113.4(2) . . . . ?
N4' La1' Si2' C4' -38.51(19) . . . . ?
N3' La1' Si2' C4' -110.05(19) . . . . ?
Si1' La1' Si2' C4' 93.19(18) . . . . ?
N10' La1' N2' C13' -54.2(2) . . . . ?
N1' La1' N2' C13' 60.3(2) . . . . ?
N4' La1' N2' C13' 175.7(2) . . . . ?
N3' La1' N2' C13' -172.1(3) . . . . ?
Si2' La1' N2' C13' -79.2(2) . . . . ?
Si1' La1' N2' C13' -31.7(2) . . . . ?
N10' La1' N2' C14' 99.9(3) . . . . ?
N1' La1' N2' C14' -145.5(3) . . . . ?
N4' La1' N2' C14' -30.2(3) . . . . ?
N3' La1' N2' C14' -18.0(3) . . . . ?
Si2' La1' N2' C14' 74.9(3) . . . . ?
Si1' La1' N2' C14' 122.5(3) . . . . ?
N2' La1' N3' C16' 152.1(3) . . . . ?
N10' La1' N3' C16' 68.7(3) . . . . ?
N1' La1' N3' C16' -151.0(3) . . . . ?
N4' La1' N3' C16' -36.7(3) . . . . ?
Si2' La1' N3' C16' 59.2(3) . . . . ?
Si1' La1' N3' C16' 84.3(3) . . . . ?
N2' La1' N3' C15' -11.8(3) . . . . ?
N10' La1' N3' C15' -95.2(3) . . . . ?
N1' La1' N3' C15' 45.1(3) . . . . ?
N4' La1' N3' C15' 159.5(3) . . . . ?
Si2' La1' N3' C15' -104.7(3) . . . . ?
Si1' La1' N3' C15' -79.6(3) . . . . ?
N2' La1' N4' C18' 45.2(3) . . . . ?
N10' La1' N4' C18' -79.7(3) . . . . ?
N1' La1' N4' C18' 142.1(2) . . . . ?
N3' La1' N4' C18' 33.4(3) . . . . ?
Si2' La1' N4' C18' -58.9(3) . . . . ?
Si1' La1' N4' C18' -100.9(3) . . . . ?
N2' La1' N4' C41' -143.4(2) . . . . ?
N10' La1' N4' C41' 91.7(2) . . . . ?
N1' La1' N4' C41' -46.5(2) . . . . ?
N3' La1' N4' C41' -155.2(2) . . . . ?
Si2' La1' N4' C41' 112.5(2) . . . . ?
Si1' La1' N4' C41' 70.5(2) . . . . ?
C3' Si1' N10' Si2' -160.83(18) . . . . ?
C2' Si1' N10' Si2' 78.9(2) . . . . ?
C1' Si1' N10' Si2' -41.4(2) . . . . ?
La1' Si1' N10' Si2' 174.2(3) . . . . ?
C3' Si1' N10' La1' 24.9(2) . . . . ?
C2' Si1' N10' La1' -95.3(2) . . . . ?
C1' Si1' N10' La1' 144.37(19) . . . . ?
C5' Si2' N10' Si1' -165.1(2) . . . . ?
C6' Si2' N10' Si1' -45.8(3) . . . . ?
C4' Si2' N10' Si1' 76.2(2) . . . . ?
La1' Si2' N10' Si1' -174.6(3) . . . . ?
C5' Si2' N10' La1' 9.5(3) . . . . ?
C6' Si2' N10' La1' 128.8(2) . . . . ?
C4' Si2' N10' La1' -109.2(2) . . . . ?
N2' La1' N10' Si1' 84.96(18) . . . . ?
N1' La1' N10' Si1' 10.9(2) . . . . ?
N4' La1' N10' Si1' -129.24(16) . . . . ?
N3' La1' N10' Si1' 151.28(16) . . . . ?
Si2' La1' N10' Si1' 174.1(3) . . . . ?
N2' La1' N10' Si2' -89.19(17) . . . . ?
N1' La1' N10' Si2' -163.22(14) . . . . ?
N4' La1' N10' Si2' 56.61(18) . . . . ?
N3' La1' N10' Si2' -22.86(19) . . . . ?
Si1' La1' N10' Si2' -174.1(3) . . . . ?
C31' N1' C11' C12' -160.1(3) . . . . ?
La1' N1' C11' C12' 22.5(4) . . . . ?
C31' N1' C11' C11B 18.2(5) . . . . ?
La1' N1' C11' C11B -159.2(3) . . . . ?
N1' C11' C12' C13' 29.0(6) . . . . ?
C11B C11' C12' C13' -149.4(4) . . . . ?
C14' N2' C13' C12' 165.3(3) . . . . ?
La1' N2' C13' C12' -41.1(4) . . . . ?
C14' N2' C13' C13B -11.7(5) . . . . ?
La1' N2' C13' C13B 142.0(3) . . . . ?
C11' C12' C13' N2' -19.3(6) . . . . ?
C11' C12' C13' C13B 157.7(4) . . . . ?
C13' N2' C14' C15' -163.6(3) . . . . ?
La1' N2' C14' C15' 44.1(4) . . . . ?
C16' N3' C15' C14' -126.3(4) . . . . ?
La1' N3' C15' C14' 39.2(4) . . . . ?
N2' C14' C15' N3' -53.1(5) . . . . ?
C15' N3' C16' C17' -170.0(4) . . . . ?
La1' N3' C16' C17' 26.8(5) . . . . ?
C15' N3' C16' C16B 10.4(5) . . . . ?
La1' N3' C16' C16B -152.7(3) . . . . ?
N3' C16' C17' C18' 9.5(6) . . . . ?
C16B C16' C17' C18' -170.9(4) . . . . ?
C41' N4' C18' C17' 168.7(3) . . . . ?
La1' N4' C18' C17' -19.9(5) . . . . ?
C41' N4' C18' C18B -10.7(4) . . . . ?
La1' N4' C18' C18B 160.7(2) . . . . ?
C16' C17' C18' N4' -13.6(6) . . . . ?
C16' C17' C18' C18B 165.8(4) . . . . ?
C11' N1' C31' C32' -91.9(4) . . . . ?
La1' N1' C31' C32' 85.0(4) . . . . ?
C11' N1' C31' C36' 87.3(4) . . . . ?
La1' N1' C31' C36' -95.8(3) . . . . ?
C36' C31' C32' C33' -0.4(5) . . . . ?
N1' C31' C32' C33' 178.8(3) . . . . ?
C36' C31' C32' C37' -179.6(3) . . . . ?
N1' C31' C32' C37' -0.4(5) . . . . ?
C31' C32' C33' C34' -1.3(5) . . . . ?
C37' C32' C33' C34' 177.9(3) . . . . ?
C32' C33' C34' C35' 1.8(6) . . . . ?
C33' C34' C35' C36' -0.6(6) . . . . ?
C34' C35' C36' C31' -1.0(5) . . . . ?
C34' C35' C36' C38' -180.0(3) . . . . ?
C32' C31' C36' C35' 1.5(5) . . . . ?
N1' C31' C36' C35' -177.7(3) . . . . ?
C32' C31' C36' C38' -179.6(3) . . . . ?
N1' C31' C36' C38' 1.2(5) . . . . ?
C33' C32' C37' C37D 72.4(4) . . . . ?
C31' C32' C37' C37D -108.5(4) . . . . ?
C33' C32' C37' C37C -50.0(5) . . . . ?
C31' C32' C37' C37C 129.2(4) . . . . ?
C35' C36' C38' C38D -63.1(5) . . . . ?
C31' C36' C38' C38D 118.0(4) . . . . ?
C35' C36' C38' C38C 59.3(5) . . . . ?
C31' C36' C38' C38C -119.6(4) . . . . ?
C18' N4' C41' C42' 90.7(4) . . . . ?
La1' N4' C41' C42' -81.8(3) . . . . ?
C18' N4' C41' C46' -88.3(4) . . . . ?
La1' N4' C41' C46' 99.2(3) . . . . ?
C46' C41' C42' C43' 1.1(5) . . . . ?
N4' C41' C42' C43' -177.9(3) . . . . ?
C46' C41' C42' C47' -178.8(3) . . . . ?
N4' C41' C42' C47' 2.2(5) . . . . ?
C47C C47' C42' C43' 57.8(4) . . . . ?
C47D C47' C42' C43' -64.5(4) . . . . ?
C47C C47' C42' C41' -122.3(4) . . . . ?
C47D C47' C42' C41' 115.4(4) . . . . ?
C41' C42' C43' C44' 0.2(5) . . . . ?
C47' C42' C43' C44' -179.9(3) . . . . ?
C42' C43' C44' C45' -1.4(6) . . . . ?
C43' C44' C45' C46' 1.3(6) . . . . ?
C44' C45' C46' C41' -0.1(6) . . . . ?
C44' C45' C46' C48' 179.0(4) . . . . ?
C42' C41' C46' C45' -1.2(5) . . . . ?
N4' C41' C46' C45' 177.8(3) . . . . ?
C42' C41' C46' C48' 179.8(3) . . . . ?
N4' C41' C46' C48' -1.2(5) . . . . ?
C45' C46' C48' C48C -80.2(5) . . . . ?
C41' C46' C48' C48C 98.9(5) . . . . ?
C45' C46' C48' C48D 43.4(5) . . . . ?
C41' C46' C48' C48D -137.6(4) . . . . ?
C105 C104 C103 C102 -57(17) . . . . ?
C106 C104 C103 C102 82(16) . . . . ?
C104 C103 C102 C101 39(19) . . . . ?
