#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:56:31 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179871 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/67/7016715.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_7016715
loop_
_publ_author_name
'Zhou, Shuangliu'
'Wu, Shihong'
'Zhu, Hong'
'Wang, Shaowu'
'Zhu, Xiancui'
'Zhang, Lijun'
'Yang, Gaosheng'
'Cui, Daohui'
'Wang, Hengyu'
_publ_section_title
;
 Synthesis, structure and catalytic activity of alkali metal-free
 bent-sandwiched lanthanide amido complexes with calix[4]-pyrrolyl
 ligands.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              9447
_journal_page_last               9453
_journal_paper_doi               10.1039/c1dt10622h
_journal_volume                  40
_journal_year                    2011
_chemical_formula_sum            'C55 H84 N6 Nd2 Si4'
_chemical_formula_weight         1230.12
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 97.5910(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.6462(7)
_cell_length_b                   29.2019(15)
_cell_length_c                   16.5042(9)
_cell_measurement_temperature    293(2)
_cell_volume                     6041.5(6)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SAINT'
_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      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0292
_diffrn_reflns_av_sigmaI/netI    0.0287
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       37
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            52146
_diffrn_reflns_theta_full        27.54
_diffrn_reflns_theta_max         27.54
_diffrn_reflns_theta_min         1.39
_exptl_absorpt_coefficient_mu    1.817
_exptl_absorpt_correction_T_max  0.8115
_exptl_absorpt_correction_T_min  0.7722
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.352
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2528
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.589
_refine_diff_density_min         -0.668
_refine_diff_density_rms         0.079
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.065
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     616
_refine_ls_number_reflns         13934
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0406
_refine_ls_R_factor_gt           0.0287
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0243P)²+4.4158P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0614
_refine_ls_wR_factor_ref         0.0662
_reflns_number_gt                11599
_reflns_number_total             13934
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10622h.txt
_cod_data_source_block           6
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               7016715
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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
Nd2 Nd 0.884989(11) 0.147089(5) 0.735271(8) 0.02992(4) Uani 1 1 d .
Nd1 Nd 0.826530(11) 0.137520(5) 0.934953(9) 0.03116(4) Uani 1 1 d .
Si1 Si 0.85317(8) 0.17040(4) 1.14208(5) 0.0545(2) Uani 1 1 d .
Si2 Si 0.70672(8) 0.09264(4) 1.09734(6) 0.0544(2) Uani 1 1 d .
Si3 Si 1.00749(8) 0.12014(4) 0.56422(6) 0.0594(3) Uani 1 1 d .
Si4 Si 0.85914(8) 0.19986(4) 0.54300(6) 0.0614(3) Uani 1 1 d .
N1 N 0.74464(17) 0.19463(8) 0.80963(13) 0.0342(5) Uani 1 1 d .
N2 N 0.73480(16) 0.09267(7) 0.79790(13) 0.0315(5) Uani 1 1 d .
N3 N 0.96917(16) 0.08915(7) 0.85542(13) 0.0296(5) Uani 1 1 d .
N4 N 0.97418(17) 0.18994(7) 0.87601(13) 0.0320(5) Uani 1 1 d .
N5 N 0.7928(2) 0.13324(9) 1.06984(15) 0.0476(6) Uani 1 1 d .
N6 N 0.91964(19) 0.15638(10) 0.60162(14) 0.0471(6) Uani 1 1 d .
C1 C 0.8646(2) 0.25893(9) 0.85237(17) 0.0382(6) Uani 1 1 d .
C2 C 0.8186(3) 0.29406(10) 0.78664(19) 0.0463(7) Uani 1 1 d .
H2A H 0.7978 0.2779 0.7357 0.056 Uiso 1 1 calc R
H2B H 0.7546 0.3074 0.8033 0.056 Uiso 1 1 calc R
C3 C 0.8944(3) 0.33255(11) 0.7711(2) 0.0553(8) Uani 1 1 d .
H3A H 0.9522 0.3201 0.7446 0.066 Uiso 1 1 calc R
H3B H 0.8566 0.3547 0.7343 0.066 Uiso 1 1 calc R
C4 C 0.9405(3) 0.35643(12) 0.8495(2) 0.0663(10) Uani 1 1 d .
H4A H 0.8843 0.3728 0.8720 0.080 Uiso 1 1 calc R
H4B H 0.9938 0.3785 0.8379 0.080 Uiso 1 1 calc R
C5 C 0.9909(3) 0.32170(12) 0.9115(2) 0.0595(9) Uani 1 1 d .
H5A H 1.0502 0.3068 0.8904 0.071 Uiso 1 1 calc R
H5B H 1.0184 0.3373 0.9617 0.071 Uiso 1 1 calc R
C6 C 0.9102(3) 0.28583(11) 0.92940(19) 0.0492(8) Uani 1 1 d .
H6A H 0.8522 0.3007 0.9521 0.059 Uiso 1 1 calc R
H6B H 0.9441 0.2646 0.9700 0.059 Uiso 1 1 calc R
C7 C 0.7765(2) 0.22723(9) 0.86859(17) 0.0378(6) Uani 1 1 d .
C8 C 0.7113(2) 0.22583(11) 0.92960(19) 0.0462(7) Uani 1 1 d .
H8 H 0.7188 0.2431 0.9774 0.055 Uiso 1 1 calc R
C9 C 0.6308(2) 0.19289(11) 0.90510(18) 0.0451(7) Uani 1 1 d .
H9 H 0.5753 0.1845 0.9337 0.054 Uiso 1 1 calc R
C10 C 0.6509(2) 0.17570(10) 0.83039(17) 0.0368(6) Uani 1 1 d .
C11 C 0.5877(2) 0.14664(10) 0.76755(17) 0.0369(6) Uani 1 1 d .
C12 C 0.5040(2) 0.11718(12) 0.80395(18) 0.0468(7) Uani 1 1 d .
H12A H 0.5405 0.0953 0.8420 0.056 Uiso 1 1 calc R
H12B H 0.4613 0.1368 0.8342 0.056 Uiso 1 1 calc R
C13 C 0.4311(3) 0.09162(14) 0.7389(2) 0.0613(10) Uani 1 1 d .
H13A H 0.4732 0.0707 0.7105 0.074 Uiso 1 1 calc R
H13B H 0.3804 0.0736 0.7647 0.074 Uiso 1 1 calc R
C14 C 0.3715(3) 0.12427(16) 0.6781(2) 0.0731(12) Uani 1 1 d .
H14A H 0.3247 0.1434 0.7056 0.088 Uiso 1 1 calc R
H14B H 0.3277 0.1070 0.6361 0.088 Uiso 1 1 calc R
C15 C 0.4489(3) 0.15436(14) 0.6385(2) 0.0637(10) Uani 1 1 d .
H15A H 0.4879 0.1356 0.6040 0.076 Uiso 1 1 calc R
H15B H 0.4091 0.1771 0.6043 0.076 Uiso 1 1 calc R
C16 C 0.5273(2) 0.17826(12) 0.70238(19) 0.0499(8) Uani 1 1 d .
H16A H 0.4888 0.2010 0.7299 0.060 Uiso 1 1 calc R
H16B H 0.5792 0.1944 0.6747 0.060 Uiso 1 1 calc R
C17 C 0.6692(2) 0.11528(9) 0.73697(16) 0.0330(6) Uani 1 1 d .
C18 C 0.6910(2) 0.10141(10) 0.66118(17) 0.0383(6) Uani 1 1 d .
H18 H 0.6613 0.1130 0.6108 0.046 Uiso 1 1 calc R
C19 C 0.7680(2) 0.06584(10) 0.67503(17) 0.0380(6) Uani 1 1 d .
H19 H 0.7980 0.0495 0.6354 0.046 Uiso 1 1 calc R
C20 C 0.7894(2) 0.06020(9) 0.75839(16) 0.0332(6) Uani 1 1 d .
C21 C 0.8491(2) 0.02522(9) 0.81388(16) 0.0328(6) Uani 1 1 d .
C22 C 0.7690(2) -0.00786(10) 0.84584(18) 0.0408(7) Uani 1 1 d .
H22A H 0.8055 -0.0253 0.8912 0.049 Uiso 1 1 calc R
H22B H 0.7132 0.0098 0.8662 0.049 Uiso 1 1 calc R
C23 C 0.7187(3) -0.04079(12) 0.7808(2) 0.0561(9) Uani 1 1 d .
H23A H 0.6775 -0.0236 0.7373 0.067 Uiso 1 1 calc R
H23B H 0.6702 -0.0610 0.8045 0.067 Uiso 1 1 calc R
C24 C 0.8022(3) -0.06925(12) 0.7454(2) 0.0634(10) Uani 1 1 d .
H24A H 0.7675 -0.0889 0.7025 0.076 Uiso 1 1 calc R
H24B H 0.8393 -0.0886 0.7878 0.076 Uiso 1 1 calc R
C25 C 0.8819(3) -0.03830(11) 0.7107(2) 0.0535(8) Uani 1 1 d .
H25A H 0.8463 -0.0220 0.6636 0.064 Uiso 1 1 calc R
H25B H 0.9380 -0.0568 0.6927 0.064 Uiso 1 1 calc R
C26 C 0.9310(2) -0.00390(10) 0.77413(19) 0.0424(7) Uani 1 1 d .
H26A H 0.9769 0.0166 0.7483 0.051 Uiso 1 1 calc R
H26B H 0.9755 -0.0203 0.8169 0.051 Uiso 1 1 calc R
C27 C 0.9105(2) 0.05317(9) 0.88091(16) 0.0311(5) Uani 1 1 d .
C28 C 0.9296(2) 0.04833(9) 0.96413(17) 0.0362(6) Uani 1 1 d .
H28 H 0.8963 0.0279 0.9959 0.043 Uiso 1 1 calc R
C29 C 1.0102(2) 0.08062(9) 0.99230(17) 0.0361(6) Uani 1 1 d .
H29 H 1.0401 0.0854 1.0462 0.043 Uiso 1 1 calc R
C30 C 1.03566(19) 0.10348(9) 0.92436(16) 0.0310(5) Uani 1 1 d .
C31 C 1.1226(2) 0.13611(9) 0.90709(16) 0.0323(6) Uani 1 1 d .
C32 C 1.2076(2) 0.10929(10) 0.86779(18) 0.0405(7) Uani 1 1 d .
H32A H 1.1725 0.0905 0.8237 0.049 Uiso 1 1 calc R
H32B H 1.2538 0.1308 0.8445 0.049 Uiso 1 1 calc R
C33 C 1.2750(2) 0.07877(12) 0.9290(2) 0.0532(8) Uani 1 1 d .
H33A H 1.2295 0.0560 0.9498 0.064 Uiso 1 1 calc R
H33B H 1.3274 0.0628 0.9016 0.064 Uiso 1 1 calc R
C34 C 1.3317(3) 0.10613(14) 0.9997(2) 0.0632(10) Uani 1 1 d .
H34A H 1.3715 0.0855 1.0385 0.076 Uiso 1 1 calc R
H34B H 1.3819 0.1270 0.9796 0.076 Uiso 1 1 calc R
C35 C 1.2527(3) 0.13303(12) 1.0421(2) 0.0549(8) Uani 1 1 d .
H35A H 1.2912 0.1527 1.0833 0.066 Uiso 1 1 calc R
H35B H 1.2098 0.1120 1.0695 0.066 Uiso 1 1 calc R
C36 C 1.1799(2) 0.16223(11) 0.98154(18) 0.0436(7) Uani 1 1 d .
H36A H 1.2220 0.1866 0.9619 0.052 Uiso 1 1 calc R
H36B H 1.1264 0.1764 1.0104 0.052 Uiso 1 1 calc R
C37 C 1.0657(2) 0.17140(9) 0.85147(16) 0.0324(6) Uani 1 1 d .
C38 C 1.0910(2) 0.19374(10) 0.78268(17) 0.0389(6) Uani 1 1 d .
H38 H 1.1461 0.1865 0.7527 0.047 Uiso 1 1 calc R
C39 C 1.0163(2) 0.22998(10) 0.76683(18) 0.0413(7) Uani 1 1 d .
H39 H 1.0130 0.2511 0.7245 0.050 Uiso 1 1 calc R
C40 C 0.9493(2) 0.22774(9) 0.82630(16) 0.0342(6) Uani 1 1 d .
C41 C 0.9721(4) 0.19669(15) 1.1042(3) 0.0859(14) Uani 1 1 d .
H41A H 1.0326 0.1769 1.1169 0.129 Uiso 1 1 calc R
H41B H 0.9869 0.2258 1.1302 0.129 Uiso 1 1 calc R
H41C H 0.9578 0.2009 1.0461 0.129 Uiso 1 1 calc R
C42 C 0.9068(4) 0.14252(16) 1.2403(2) 0.0868(14) Uani 1 1 d .
H42A H 0.8489 0.1303 1.2657 0.130 Uiso 1 1 calc R
H42B H 0.9448 0.1647 1.2759 0.130 Uiso 1 1 calc R
H42C H 0.9542 0.1182 1.2299 0.130 Uiso 1 1 calc R
C43 C 0.7658(4) 0.21841(17) 1.1679(3) 0.1025(17) Uani 1 1 d .
H43A H 0.7556 0.2397 1.1232 0.154 Uiso 1 1 calc R
H43B H 0.7989 0.2338 1.2161 0.154 Uiso 1 1 calc R
H43C H 0.6979 0.2064 1.1777 0.154 Uiso 1 1 calc R
C44 C 0.7735(3) 0.04421(15) 1.1595(3) 0.0811(13) Uani 1 1 d .
H44A H 0.8242 0.0297 1.1294 0.122 Uiso 1 1 calc R
H44B H 0.7208 0.0223 1.1707 0.122 Uiso 1 1 calc R
H44C H 0.8097 0.0559 1.2100 0.122 Uiso 1 1 calc R
C45 C 0.6016(3) 0.11643(19) 1.1552(3) 0.0961(16) Uani 1 1 d .
H45A H 0.6342 0.1274 1.2075 0.144 Uiso 1 1 calc R
H45B H 0.5510 0.0929 1.1630 0.144 Uiso 1 1 calc R
H45C H 0.5658 0.1413 1.1249 0.144 Uiso 1 1 calc R
C46 C 0.6343(3) 0.06543(16) 1.0033(2) 0.0777(12) Uani 1 1 d .
H46A H 0.5807 0.0861 0.9781 0.117 Uiso 1 1 calc R
H46B H 0.6011 0.0376 1.0180 0.117 Uiso 1 1 calc R
H46C H 0.6840 0.0587 0.9657 0.117 Uiso 1 1 calc R
C47 C 1.0747(3) 0.08487(14) 0.6505(2) 0.0695(11) Uani 1 1 d .
H47A H 1.1286 0.1029 0.6823 0.104 Uiso 1 1 calc R
H47B H 1.1070 0.0585 0.6291 0.104 Uiso 1 1 calc R
H47C H 1.0230 0.0751 0.6845 0.104 Uiso 1 1 calc R
C48 C 1.1147(4) 0.1498(2) 0.5166(3) 0.117(2) Uani 1 1 d .
H48A H 1.0831 0.1683 0.4717 0.176 Uiso 1 1 calc R
H48B H 1.1609 0.1274 0.4970 0.176 Uiso 1 1 calc R
H48C H 1.1554 0.1689 0.5565 0.176 Uiso 1 1 calc R
C49 C 0.9433(4) 0.0789(2) 0.4864(3) 0.118(2) Uani 1 1 d .
H49A H 0.8949 0.0596 0.5108 0.177 Uiso 1 1 calc R
H49B H 0.9972 0.0604 0.4665 0.177 Uiso 1 1 calc R
H49C H 0.9048 0.0955 0.4417 0.177 Uiso 1 1 calc R
C50 C 0.9472(4) 0.25137(19) 0.5363(4) 0.128(2) Uani 1 1 d .
H50A H 0.9580 0.2666 0.5883 0.192 Uiso 1 1 calc R
H50B H 0.9138 0.2720 0.4955 0.192 Uiso 1 1 calc R
H50C H 1.0148 0.2417 0.5218 0.192 Uiso 1 1 calc R
C51 C 0.7411(3) 0.22062(13) 0.5878(2) 0.0672(10) Uani 1 1 d .
H51A H 0.6813 0.2011 0.5707 0.101 Uiso 1 1 calc R
H51B H 0.7246 0.2513 0.5696 0.101 Uiso 1 1 calc R
H51C H 0.7563 0.2202 0.6464 0.101 Uiso 1 1 calc R
C52 C 0.8087(4) 0.1837(2) 0.4365(2) 0.138(3) Uani 1 1 d .
H52A H 0.8678 0.1781 0.4069 0.207 Uiso 1 1 calc R
H52B H 0.7658 0.2081 0.4108 0.207 Uiso 1 1 calc R
H52C H 0.7663 0.1564 0.4366 0.207 Uiso 1 1 calc R
C53 C 0.479(2) 0.9908(11) 0.5391(14) 0.320(11) Uani 1 1 d .
C54 C 0.369(3) 1.0142(11) 0.5153(17) 0.416(15) Uani 1 1 d .
C55 C 0.362(3) 0.9746(7) 0.5871(15) 0.406(17) Uani 1 1 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'
Nd Nd -0.1943 3.0179 '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'
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_3
N6 Nd2 N1 126.53(8) .
N6 Nd2 N3 131.45(8) .
N1 Nd2 N3 102.02(6) .
N6 Nd2 N4 129.99(8) .
N1 Nd2 N4 66.35(7) .
N3 Nd2 N4 65.70(6) .
N6 Nd2 N2 130.14(8) .
N1 Nd2 N2 66.34(7) .
N3 Nd2 N2 65.99(6) .
N4 Nd2 N2 99.82(6) .
N6 Nd2 C40 109.11(9) .
N1 Nd2 C40 59.37(7) .
N3 Nd2 C40 94.18(7) .
N4 Nd2 C40 28.59(7) .
N2 Nd2 C40 115.95(7) .
N6 Nd2 C20 111.53(9) .
N1 Nd2 C20 94.67(7) .
N3 Nd2 C20 58.75(7) .
N4 Nd2 C20 115.17(7) .
N2 Nd2 C20 28.41(6) .
C40 Nd2 C20 139.35(7) .
N6 Nd2 C37 111.85(8) .
N1 Nd2 C37 94.76(7) .
N3 Nd2 C37 57.70(7) .
N4 Nd2 C37 28.45(6) .
N2 Nd2 C37 114.57(7) .
C40 Nd2 C37 45.41(7) .
C20 Nd2 C37 116.34(8) .
N6 Nd2 C17 110.14(8) .
N1 Nd2 C17 58.48(7) .
N3 Nd2 C17 94.15(7) .
N4 Nd2 C17 114.94(7) .
N2 Nd2 C17 28.20(6) .
C40 Nd2 C17 117.69(8) .
C20 Nd2 C17 45.23(7) .
C37 Nd2 C17 138.00(7) .
N6 Nd2 C19 85.51(9) .
N1 Nd2 C19 104.02(7) .
N3 Nd2 C19 82.74(7) .
N4 Nd2 C19 142.78(7) .
N2 Nd2 C19 46.92(7) .
C40 Nd2 C19 162.24(7) .
C20 Nd2 C19 27.64(7) .
C37 Nd2 C19 139.10(8) .
C17 Nd2 C19 45.58(8) .
N6 Nd2 C18 84.77(8) .
N1 Nd2 C18 81.80(7) .
N3 Nd2 C18 104.37(7) .
N4 Nd2 C18 142.38(7) .
N2 Nd2 C18 46.82(7) .
C40 Nd2 C18 139.82(8) .
C20 Nd2 C18 45.77(8) .
C37 Nd2 C18 160.82(8) .
C17 Nd2 C18 27.45(7) .
C19 Nd2 C18 28.28(8) .
N6 Nd2 C39 84.21(9) .
N1 Nd2 C39 83.39(7) .
N3 Nd2 C39 103.05(7) .
N4 Nd2 C39 46.87(7) .
N2 Nd2 C39 143.33(7) .
C40 Nd2 C39 27.49(7) .
C20 Nd2 C39 161.00(8) .
C37 Nd2 C39 45.39(8) .
C17 Nd2 C39 140.81(8) .
C19 Nd2 C39 169.61(8) .
C18 Nd2 C39 150.98(8) .
N6 Nd2 C38 85.82(8) .
N1 Nd2 C38 104.75(7) .
N3 Nd2 C38 81.19(7) .
N4 Nd2 C38 46.86(7) .
N2 Nd2 C38 142.00(7) .
C40 Nd2 C38 45.53(8) .
C20 Nd2 C38 138.45(8) .
C37 Nd2 C38 27.43(7) .
C17 Nd2 C38 161.49(8) .
C19 Nd2 C38 149.36(8) .
C18 Nd2 C38 170.53(8) .
C39 Nd2 C38 27.88(8) .
N6 Nd2 Nd1 177.51(7) .
N1 Nd2 Nd1 51.03(5) .
N3 Nd2 Nd1 51.00(4) .
N4 Nd2 Nd1 49.53(4) .
N2 Nd2 Nd1 50.29(4) .
C40 Nd2 Nd1 69.48(5) .
C20 Nd2 Nd1 69.88(5) .
C37 Nd2 Nd1 68.75(5) .
C17 Nd2 Nd1 69.26(5) .
C19 Nd2 Nd1 95.52(5) .
C18 Nd2 Nd1 95.06(5) .
C39 Nd2 Nd1 94.81(6) .
C38 Nd2 Nd1 94.39(5) .
N5 Nd1 N4 126.86(9) .
N5 Nd1 N2 130.90(8) .
N4 Nd1 N2 102.23(6) .
N5 Nd1 N1 130.86(7) .
N4 Nd1 N1 66.04(6) .
N2 Nd1 N1 65.93(7) .
N5 Nd1 N3 130.00(7) .
N4 Nd1 N3 65.84(6) .
N2 Nd1 N3 66.02(6) .
N1 Nd1 N3 99.07(6) .
N5 Nd1 C30 109.20(8) .
N4 Nd1 C30 58.89(7) .
N2 Nd1 C30 94.46(7) .
N1 Nd1 C30 115.17(7) .
N3 Nd1 C30 28.57(7) .
N5 Nd1 C10 111.94(8) .
N4 Nd1 C10 94.64(7) .
N2 Nd1 C10 58.39(7) .
N1 Nd1 C10 28.68(7) .
N3 Nd1 C10 114.73(7) .
C30 Nd1 C10 138.86(7) .
N5 Nd1 C27 111.94(8) .
N4 Nd1 C27 94.18(7) .
N2 Nd1 C27 57.74(7) .
N1 Nd1 C27 113.87(7) .
N3 Nd1 C27 28.37(6) .
C30 Nd1 C27 45.40(7) .
C10 Nd1 C27 115.96(8) .
N5 Nd1 C7 110.76(8) .
N4 Nd1 C7 58.22(7) .
N2 Nd1 C7 94.20(7) .
N1 Nd1 C7 28.32(7) .
N3 Nd1 C7 114.22(7) .
C30 Nd1 C7 116.95(8) .
C10 Nd1 C7 45.53(8) .
C27 Nd1 C7 137.29(7) .
N5 Nd1 C29 84.11(8) .
N4 Nd1 C29 83.12(7) .
N2 Nd1 C29 103.21(7) .
N1 Nd1 C29 142.71(7) .
N3 Nd1 C29 46.99(7) .
C30 Nd1 C29 27.66(7) .
C10 Nd1 C29 160.69(8) .
C27 Nd1 C29 45.50(8) .
C7 Nd1 C29 140.31(8) .
N5 Nd1 C28 85.90(8) .
N4 Nd1 C28 104.51(7) .
N2 Nd1 C28 80.84(7) .
N1 Nd1 C28 141.20(7) .
N3 Nd1 C28 46.88(7) .
C30 Nd1 C28 45.81(7) .
C10 Nd1 C28 137.91(8) .
C27 Nd1 C28 27.33(7) .
C7 Nd1 C28 160.84(7) .
C29 Nd1 C28 28.20(8) .
N5 Nd1 C9 86.18(8) .
N4 Nd1 C9 103.59(8) .
N2 Nd1 C9 82.49(8) .
N1 Nd1 C9 46.86(7) .
N3 Nd1 C9 142.24(7) .
C30 Nd1 C9 161.32(8) .
C10 Nd1 C9 27.60(8) .
C27 Nd1 C9 139.19(8) .
C7 Nd1 C9 45.42(8) .
C29 Nd1 C9 170.24(8) .
C28 Nd1 C9 149.74(8) .
N5 Nd1 C8 85.61(8) .
N4 Nd1 C8 81.72(7) .
N2 Nd1 C8 103.85(8) .
N1 Nd1 C8 46.67(7) .
N3 Nd1 C8 141.58(7) .
C30 Nd1 C8 139.39(8) .
C10 Nd1 C8 45.59(9) .
C27 Nd1 C8 160.04(8) .
C7 Nd1 C8 27.38(7) .
C29 Nd1 C8 151.20(9) .
C28 Nd1 C8 171.41(8) .
C9 Nd1 C8 27.85(9) .
N5 Nd1 Nd2 177.72(7) .
N4 Nd1 Nd2 50.86(5) .
N2 Nd1 Nd2 51.38(4) .
N1 Nd1 Nd2 49.13(4) .
N3 Nd1 Nd2 49.94(4) .
C30 Nd1 Nd2 69.85(5) .
C10 Nd1 Nd2 69.02(5) .
C27 Nd1 Nd2 68.98(5) .
C7 Nd1 Nd2 68.30(5) .
C29 Nd1 Nd2 95.36(5) .
C28 Nd1 Nd2 94.68(5) .
C9 Nd1 Nd2 94.38(6) .
C8 Nd1 Nd2 93.85(6) .
N5 Si1 C42 113.96(18) .
N5 Si1 C41 109.36(16) .
C42 Si1 C41 104.8(2) .
N5 Si1 C43 114.26(19) .
C42 Si1 C43 106.7(2) .
C41 Si1 C43 107.1(2) .
N5 Si2 C45 113.5(2) .
N5 Si2 C46 109.46(16) .
C45 Si2 C46 106.2(2) .
N5 Si2 C44 114.20(17) .
C45 Si2 C44 107.4(2) .
C46 Si2 C44 105.5(2) .
N6 Si3 C49 113.8(2) .
N6 Si3 C48 114.1(2) .
C49 Si3 C48 106.4(3) .
N6 Si3 C47 108.56(15) .
C49 Si3 C47 106.4(2) .
C48 Si3 C47 107.1(2) .
N6 Si4 C52 114.8(2) .
N6 Si4 C51 109.88(15) .
C52 Si4 C51 105.5(2) .
N6 Si4 C50 113.64(18) .
C52 Si4 C50 106.3(3) .
C51 Si4 C50 106.0(2) .
C7 N1 C10 106.2(2) .
C7 N1 Nd2 122.08(16) .
C10 N1 Nd2 123.04(17) .
C7 N1 Nd1 80.94(15) .
C10 N1 Nd1 79.77(14) .
Nd2 N1 Nd1 79.84(6) .
C17 N2 C20 105.8(2) .
C17 N2 Nd1 121.36(17) .
C20 N2 Nd1 122.25(16) .
C17 N2 Nd2 80.24(14) .
C20 N2 Nd2 78.97(14) .
Nd1 N2 Nd2 78.33(6) .
C27 N3 C30 105.7(2) .
C27 N3 Nd2 121.42(16) .
C30 N3 Nd2 123.21(16) .
C27 N3 Nd1 80.41(13) .
C30 N3 Nd1 79.55(13) .
Nd2 N3 Nd1 79.06(5) .
C37 N4 C40 105.7(2) .
C37 N4 Nd1 121.95(16) .
C40 N4 Nd1 123.53(16) .
C37 N4 Nd2 80.82(14) .
C40 N4 Nd2 80.02(15) .
Nd1 N4 Nd2 79.61(6) .
Si2 N5 Si1 119.63(14) .
Si2 N5 Nd1 119.66(14) .
Si1 N5 Nd1 120.71(14) .
Si3 N6 Si4 121.22(14) .
Si3 N6 Nd2 118.98(14) .
Si4 N6 Nd2 119.79(14) .
C7 C1 C40 104.5(2) .
C7 C1 C6 111.9(2) .
C40 C1 C6 109.9(2) .
C7 C1 C2 108.3(2) .
C40 C1 C2 114.5(2) .
C6 C1 C2 107.8(2) .
C3 C2 C1 114.9(3) .
C3 C2 H2A 108.6 .
C1 C2 H2A 108.6 .
C3 C2 H2B 108.6 .
C1 C2 H2B 108.6 .
H2A C2 H2B 107.5 .
C4 C3 C2 112.0(3) .
C4 C3 H3A 109.2 .
C2 C3 H3A 109.2 .
C4 C3 H3B 109.2 .
C2 C3 H3B 109.2 .
H3A C3 H3B 107.9 .
C3 C4 C5 110.3(3) .
C3 C4 H4A 109.6 .
C5 C4 H4A 109.6 .
C3 C4 H4B 109.6 .
C5 C4 H4B 109.6 .
H4A C4 H4B 108.1 .
C6 C5 C4 111.0(3) .
C6 C5 H5A 109.4 .
C4 C5 H5A 109.4 .
C6 C5 H5B 109.4 .
C4 C5 H5B 109.4 .
H5A C5 H5B 108.0 .
C5 C6 C1 112.3(3) .
C5 C6 H6A 109.2 .
C1 C6 H6A 109.2 .
C5 C6 H6B 109.2 .
C1 C6 H6B 109.2 .
H6A C6 H6B 107.9 .
N1 C7 C8 110.3(3) .
N1 C7 C1 117.0(2) .
C8 C7 C1 132.5(3) .
N1 C7 Nd1 70.74(14) .
C8 C7 Nd1 79.54(17) .
C1 C7 Nd1 119.91(17) .
C7 C8 C9 106.6(3) .
C7 C8 Nd1 73.08(16) .
C9 C8 Nd1 75.50(17) .
C7 C8 H8 126.7 .
C9 C8 H8 126.7 .
Nd1 C8 H8 116.9 .
C10 C9 C8 106.9(3) .
C10 C9 Nd1 72.61(16) .
C8 C9 Nd1 76.66(16) .
C10 C9 H9 126.6 .
C8 C9 H9 126.6 .
Nd1 C9 H9 116.4 .
C9 C10 N1 109.7(3) .
C9 C10 C11 133.0(3) .
N1 C10 C11 116.8(2) .
C9 C10 Nd1 79.79(17) .
N1 C10 Nd1 71.55(14) .
C11 C10 Nd1 120.13(17) .
C10 C11 C17 104.5(2) .
C10 C11 C16 108.4(2) .
C17 C11 C16 115.2(2) .
C10 C11 C12 112.3(2) .
C17 C11 C12 108.9(2) .
C16 C11 C12 107.6(2) .
C13 C12 C11 112.5(2) .
C13 C12 H12A 109.1 .
C11 C12 H12A 109.1 .
C13 C12 H12B 109.1 .
C11 C12 H12B 109.1 .
H12A C12 H12B 107.8 .
C14 C13 C12 111.3(3) .
C14 C13 H13A 109.4 .
C12 C13 H13A 109.4 .
C14 C13 H13B 109.4 .
C12 C13 H13B 109.4 .
H13A C13 H13B 108.0 .
C13 C14 C15 110.8(3) .
C13 C14 H14A 109.5 .
C15 C14 H14A 109.5 .
C13 C14 H14B 109.5 .
C15 C14 H14B 109.5 .
H14A C14 H14B 108.1 .
C16 C15 C14 111.4(3) .
C16 C15 H15A 109.3 .
C14 C15 H15A 109.3 .
C16 C15 H15B 109.3 .
C14 C15 H15B 109.3 .
H15A C15 H15B 108.0 .
C15 C16 C11 115.3(3) .
C15 C16 H16A 108.5 .
C11 C16 H16A 108.5 .
C15 C16 H16B 108.5 .
C11 C16 H16B 108.5 .
H16A C16 H16B 107.5 .
C18 C17 N2 110.3(2) .
C18 C17 C11 135.0(2) .
N2 C17 C11 114.6(2) .
C18 C17 Nd2 77.44(15) .
N2 C17 Nd2 71.56(13) .
C11 C17 Nd2 119.64(18) .
C17 C18 C19 106.5(2) .
C17 C18 Nd2 75.11(16) .
C19 C18 Nd2 75.33(16) .
C17 C18 H18 126.7 .
C19 C18 H18 126.7 .
Nd2 C18 H18 115.2 .
C20 C19 C18 106.8(2) .
C20 C19 Nd2 74.40(16) .
C18 C19 Nd2 76.40(16) .
C20 C19 H19 126.6 .
C18 C19 H19 126.6 .
Nd2 C19 H19 115.0 .
C19 C20 N2 110.1(2) .
C19 C20 C21 134.9(3) .
N2 C20 C21 114.7(2) .
C19 C20 Nd2 77.96(16) .
N2 C20 Nd2 72.61(14) .
C21 C20 Nd2 119.75(16) .
C27 C21 C20 104.3(2) .
C27 C21 C22 112.7(2) .
C20 C21 C22 109.5(2) .
C27 C21 C26 107.4(2) .
C20 C21 C26 115.1(2) .
C22 C21 C26 107.9(2) .
C23 C22 C21 112.9(2) .
C23 C22 H22A 109.0 .
C21 C22 H22A 109.0 .
C23 C22 H22B 109.0 .
C21 C22 H22B 109.0 .
H22A C22 H22B 107.8 .
C22 C23 C24 111.8(3) .
C22 C23 H23A 109.3 .
C24 C23 H23A 109.3 .
C22 C23 H23B 109.3 .
C24 C23 H23B 109.3 .
H23A C23 H23B 107.9 .
C23 C24 C25 110.4(3) .
C23 C24 H24A 109.6 .
C25 C24 H24A 109.6 .
C23 C24 H24B 109.6 .
C25 C24 H24B 109.6 .
H24A C24 H24B 108.1 .
C24 C25 C26 111.3(3) .
C24 C25 H25A 109.4 .
C26 C25 H25A 109.4 .
C24 C25 H25B 109.4 .
C26 C25 H25B 109.4 .
H25A C25 H25B 108.0 .
C25 C26 C21 114.7(2) .
C25 C26 H26A 108.6 .
C21 C26 H26A 108.6 .
C25 C26 H26B 108.6 .
C21 C26 H26B 108.6 .
H26A C26 H26B 107.6 .
C28 C27 N3 110.7(2) .
C28 C27 C21 133.3(2) .
N3 C27 C21 115.7(2) .
C28 C27 Nd1 78.48(16) .
N3 C27 Nd1 71.22(13) .
C21 C27 Nd1 121.15(16) .
C27 C28 C29 106.4(2) .
C27 C28 Nd1 74.19(15) .
C29 C28 Nd1 75.40(15) .
C27 C28 H28 126.8 .
C29 C28 H28 126.8 .
Nd1 C28 H28 116.0 .
C30 C29 C28 106.8(2) .
C30 C29 Nd1 73.80(15) .
C28 C29 Nd1 76.39(15) .
C30 C29 H29 126.6 .
C28 C29 H29 126.6 .
Nd1 C29 H29 115.6 .
C29 C30 N3 109.9(2) .
C29 C30 C31 135.4(2) .
N3 C30 C31 114.4(2) .
C29 C30 Nd1 78.53(15) .
N3 C30 Nd1 71.88(13) .
C31 C30 Nd1 119.72(16) .
C37 C31 C30 104.3(2) .
C37 C31 C32 113.4(2) .
C30 C31 C32 108.9(2) .
C37 C31 C36 106.5(2) .
C30 C31 C36 116.0(2) .
C32 C31 C36 107.9(2) .
C33 C32 C31 112.3(2) .
C33 C32 H32A 109.1 .
C31 C32 H32A 109.1 .
C33 C32 H32B 109.1 .
C31 C32 H32B 109.1 .
H32A C32 H32B 107.9 .
C34 C33 C32 111.7(3) .
C34 C33 H33A 109.3 .
C32 C33 H33A 109.3 .
C34 C33 H33B 109.3 .
C32 C33 H33B 109.3 .
H33A C33 H33B 107.9 .
C35 C34 C33 110.9(3) .
C35 C34 H34A 109.5 .
C33 C34 H34A 109.5 .
C35 C34 H34B 109.5 .
C33 C34 H34B 109.5 .
H34A C34 H34B 108.1 .
C34 C35 C36 111.4(3) .
C34 C35 H35A 109.3 .
C36 C35 H35A 109.3 .
C34 C35 H35B 109.3 .
C36 C35 H35B 109.3 .
H35A C35 H35B 108.0 .
C35 C36 C31 115.1(3) .
C35 C36 H36A 108.5 .
C31 C36 H36A 108.5 .
C35 C36 H36B 108.5 .
C31 C36 H36B 108.5 .
H36A C36 H36B 107.5 .
C38 C37 N4 110.4(2) .
C38 C37 C31 133.0(2) .
N4 C37 C31 116.2(2) .
C38 C37 Nd2 79.55(16) .
N4 C37 Nd2 70.73(14) .
C31 C37 Nd2 120.94(17) .
C37 C38 C39 106.4(2) .
C37 C38 Nd2 73.02(16) .
C39 C38 Nd2 75.65(16) .
C37 C38 H38 126.8 .
C39 C38 H38 126.8 .
Nd2 C38 H38 116.8 .
C40 C39 C38 106.9(2) .
C40 C39 Nd2 72.68(16) .
C38 C39 Nd2 76.47(16) .
C40 C39 H39 126.6 .
C38 C39 H39 126.6 .
Nd2 C39 H39 116.5 .
C39 C40 N4 110.2(2) .
C39 C40 C1 134.3(3) .
N4 C40 C1 115.2(2) .
C39 C40 Nd2 79.83(17) .
N4 C40 Nd2 71.39(14) .
C1 C40 Nd2 118.92(18) .
Si1 C41 H41A 109.5 .
Si1 C41 H41B 109.5 .
H41A C41 H41B 109.5 .
Si1 C41 H41C 109.5 .
H41A C41 H41C 109.5 .
H41B C41 H41C 109.5 .
Si1 C42 H42A 109.5 .
Si1 C42 H42B 109.5 .
H42A C42 H42B 109.5 .
Si1 C42 H42C 109.5 .
H42A C42 H42C 109.5 .
H42B C42 H42C 109.5 .
Si1 C43 H43A 109.5 .
Si1 C43 H43B 109.5 .
H43A C43 H43B 109.5 .
Si1 C43 H43C 109.5 .
H43A C43 H43C 109.5 .
H43B C43 H43C 109.5 .
Si2 C44 H44A 109.5 .
Si2 C44 H44B 109.5 .
H44A C44 H44B 109.5 .
Si2 C44 H44C 109.5 .
H44A C44 H44C 109.5 .
H44B C44 H44C 109.5 .
Si2 C45 H45A 109.5 .
Si2 C45 H45B 109.5 .
H45A C45 H45B 109.5 .
Si2 C45 H45C 109.5 .
H45A C45 H45C 109.5 .
H45B C45 H45C 109.5 .
Si2 C46 H46A 109.5 .
Si2 C46 H46B 109.5 .
H46A C46 H46B 109.5 .
Si2 C46 H46C 109.5 .
H46A C46 H46C 109.5 .
H46B C46 H46C 109.5 .
Si3 C47 H47A 109.5 .
Si3 C47 H47B 109.5 .
H47A C47 H47B 109.5 .
Si3 C47 H47C 109.5 .
H47A C47 H47C 109.5 .
H47B C47 H47C 109.5 .
Si3 C48 H48A 109.5 .
Si3 C48 H48B 109.5 .
H48A C48 H48B 109.5 .
Si3 C48 H48C 109.5 .
H48A C48 H48C 109.5 .
H48B C48 H48C 109.5 .
Si3 C49 H49A 109.5 .
Si3 C49 H49B 109.5 .
H49A C49 H49B 109.5 .
Si3 C49 H49C 109.5 .
H49A C49 H49C 109.5 .
H49B C49 H49C 109.5 .
Si4 C50 H50A 109.5 .
Si4 C50 H50B 109.5 .
H50A C50 H50B 109.5 .
Si4 C50 H50C 109.5 .
H50A C50 H50C 109.5 .
H50B C50 H50C 109.5 .
Si4 C51 H51A 109.5 .
Si4 C51 H51B 109.5 .
H51A C51 H51B 109.5 .
Si4 C51 H51C 109.5 .
H51A C51 H51C 109.5 .
H51B C51 H51C 109.5 .
Si4 C52 H52A 109.5 .
Si4 C52 H52B 109.5 .
H52A C52 H52B 109.5 .
Si4 C52 H52C 109.5 .
H52A C52 H52C 109.5 .
H52B C52 H52C 109.5 .
C54 C53 C53 92(3) 3_676
C53 C54 C55 69.1(15) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Nd2 N6 2.321(2) .
Nd2 N1 2.676(2) .
Nd2 N3 2.715(2) .
Nd2 N4 2.746(2) .
Nd2 N2 2.778(2) .
Nd2 C40 2.854(3) .
Nd2 C20 2.858(3) .
Nd2 C37 2.872(3) .
Nd2 C17 2.887(2) .
Nd2 C19 2.902(3) .
Nd2 C18 2.915(3) .
Nd2 C39 2.942(3) .
Nd2 C38 2.953(3) .
Nd2 Nd1 3.4827(2) .
Nd1 N5 2.325(2) .
Nd1 N4 2.694(2) .
Nd1 N2 2.736(2) .
Nd1 N1 2.751(2) .
Nd1 N3 2.756(2) .
Nd1 C30 2.852(2) .
Nd1 C10 2.854(3) .
Nd1 C27 2.871(3) .
Nd1 C7 2.877(3) .
Nd1 C29 2.911(3) .
Nd1 C28 2.924(3) .
Nd1 C9 2.943(3) .
Nd1 C8 2.958(3) .
Si1 N5 1.715(3) .
Si1 C42 1.860(4) .
Si1 C41 1.868(4) .
Si1 C43 1.869(4) .
Si2 N5 1.711(3) .
Si2 C45 1.870(4) .
Si2 C46 1.871(4) .
Si2 C44 1.880(4) .
Si3 N6 1.708(3) .
Si3 C49 1.867(5) .
Si3 C48 1.868(4) .
Si3 C47 1.869(4) .
Si4 N6 1.714(3) .
Si4 C52 1.850(4) .
Si4 C51 1.853(4) .
Si4 C50 1.884(5) .
N1 C7 1.382(4) .
N1 C10 1.391(3) .
N2 C17 1.384(3) .
N2 C20 1.385(3) .
N3 C27 1.383(3) .
N3 C30 1.387(3) .
N4 C37 1.386(3) .
N4 C40 1.387(3) .
C1 C7 1.500(4) .
C1 C40 1.512(4) .
C1 C6 1.540(4) .
C1 C2 1.549(4) .
C2 C3 1.521(4) .
C2 H2A 0.9700 .
C2 H2B 0.9700 .
C3 C4 1.517(5) .
C3 H3A 0.9700 .
C3 H3B 0.9700 .
C4 C5 1.519(5) .
C4 H4A 0.9700 .
C4 H4B 0.9700 .
C5 C6 1.519(5) .
C5 H5A 0.9700 .
C5 H5B 0.9700 .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C7 C8 1.383(4) .
C8 C9 1.420(4) .
C8 H8 0.9300 .
C9 C10 1.385(4) .
C9 H9 0.9300 .
C10 C11 1.488(4) .
C11 C17 1.514(4) .
C11 C16 1.541(4) .
C11 C12 1.546(4) .
C12 C13 1.515(5) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.513(5) .
C13 H13A 0.9700 .
C13 H13B 0.9700 .
C14 C15 1.525(5) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C15 C16 1.518(5) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C17 C18 1.377(4) .
C18 C19 1.421(4) .
C18 H18 0.9300 .
C19 C20 1.377(4) .
C19 H19 0.9300 .
C20 C21 1.507(4) .
C21 C27 1.505(4) .
C21 C22 1.542(4) .
C21 C26 1.551(4) .
C22 C23 1.517(4) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C23 C24 1.520(5) .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C24 C25 1.521(5) .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C25 C26 1.522(4) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C27 C28 1.370(4) .
C28 C29 1.421(4) .
C28 H28 0.9300 .
C29 C30 1.379(4) .
C29 H29 0.9300 .
C30 C31 1.510(3) .
C31 C37 1.499(4) .
C31 C32 1.540(4) .
C31 C36 1.543(4) .
C32 C33 1.521(4) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 C34 1.514(5) .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C34 C35 1.513(5) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
C35 C36 1.527(4) .
C35 H35A 0.9700 .
C35 H35B 0.9700 .
C36 H36A 0.9700 .
C36 H36B 0.9700 .
C37 C38 1.383(4) .
C38 C39 1.420(4) .
C38 H38 0.9300 .
C39 C40 1.380(4) .
C39 H39 0.9300 .
C41 H41A 0.9600 .
C41 H41B 0.9600 .
C41 H41C 0.9600 .
C42 H42A 0.9600 .
C42 H42B 0.9600 .
C42 H42C 0.9600 .
C43 H43A 0.9600 .
C43 H43B 0.9600 .
C43 H43C 0.9600 .
C44 H44A 0.9600 .
C44 H44B 0.9600 .
C44 H44C 0.9600 .
C45 H45A 0.9600 .
C45 H45B 0.9600 .
C45 H45C 0.9600 .
C46 H46A 0.9600 .
C46 H46B 0.9600 .
C46 H46C 0.9600 .
C47 H47A 0.9600 .
C47 H47B 0.9600 .
C47 H47C 0.9600 .
C48 H48A 0.9600 .
C48 H48B 0.9600 .
C48 H48C 0.9600 .
C49 H49A 0.9600 .
C49 H49B 0.9600 .
C49 H49C 0.9600 .
C50 H50A 0.9600 .
C50 H50B 0.9600 .
C50 H50C 0.9600 .
C51 H51A 0.9600 .
C51 H51B 0.9600 .
C51 H51C 0.9600 .
C52 H52A 0.9600 .
C52 H52B 0.9600 .
C52 H52C 0.9600 .
C53 C54 1.54(3) .
C53 C53 1.56(5) 3_676
C54 C55 1.67(4) .
