#------------------------------------------------------------------------------
#$Date: 2016-03-21 13:02:18 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178690 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/01/4080182.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_4080182
loop_
_publ_author_name
'Rong, Weifeng'
'Liu, Dongtao'
'Zuo, Huiping'
'Pan, Yupeng'
'Jian, Zhongbao'
'Li, Shihui'
'Cui, Dongmei'
_publ_section_title
;
 Rare-Earth-Metal Complexes Bearing Phosphazene Ancillary Ligands:
 Structures and Catalysis toward Highly Trans-1,4-Selective
 (Co)Polymerizations of Conjugated Dienes
;
_journal_issue                   5
_journal_name_full               Organometallics
_journal_page_first              1166
_journal_paper_doi               10.1021/om300967h
_journal_volume                  32
_journal_year                    2013
_chemical_formula_sum            'C44 H62 N O4 P2 Si2 Y'
_chemical_formula_weight         875.98
_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                87.2320(10)
_cell_angle_beta                 85.1600(10)
_cell_angle_gamma                73.5820(10)
_cell_formula_units_Z            2
_cell_length_a                   10.1131(5)
_cell_length_b                   10.9594(6)
_cell_length_c                   22.0767(11)
_cell_measurement_reflns_used    5968
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.14
_cell_measurement_theta_min      2.36
_cell_volume                     2337.9(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_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      296(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0235
_diffrn_reflns_av_sigmaI/netI    0.0587
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            13135
_diffrn_reflns_theta_full        26.14
_diffrn_reflns_theta_max         26.14
_diffrn_reflns_theta_min         0.93
_exptl_absorpt_coefficient_mu    1.406
_exptl_absorpt_correction_T_max  0.8839
_exptl_absorpt_correction_T_min  0.7567
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.244
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             924
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.322
_refine_diff_density_min         -1.030
_refine_diff_density_rms         0.077
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     488
_refine_ls_number_reflns         9187
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0700
_refine_ls_R_factor_gt           0.0486
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0668P)²+1.0438P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1168
_refine_ls_wR_factor_ref         0.1307
_reflns_number_gt                7077
_reflns_number_total             9187
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300967h_si_002.cif
_cod_data_source_block           4b
_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 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4080182
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
Y1 Y 0.87514(3) 0.79481(3) 0.706204(14) 0.02349(11) Uani 1 1 d .
N1 N 0.7885(3) 0.7542(3) 0.87811(13) 0.0283(7) Uani 1 1 d .
P1 P 0.83937(9) 0.87475(8) 0.85840(4) 0.0226(2) Uani 1 1 d .
P2 P 0.77239(9) 0.64414(8) 0.83768(4) 0.0234(2) Uani 1 1 d .
O1 O 0.8782(2) 0.8949(2) 0.79136(10) 0.0256(5) Uani 1 1 d .
O2 O 0.7775(2) 0.6656(2) 0.76956(10) 0.0275(5) Uani 1 1 d .
O3 O 0.7982(3) 0.6853(2) 0.63288(11) 0.0339(6) Uani 1 1 d .
O4 O 0.6286(2) 0.9141(3) 0.70682(12) 0.0388(6) Uani 1 1 d .
Si1 Si 1.22513(11) 0.55736(11) 0.65636(5) 0.0387(3) Uani 1 1 d .
Si2 Si 0.96684(11) 1.08596(10) 0.63546(5) 0.0330(2) Uani 1 1 d .
C1 C 0.9837(3) 0.8748(3) 0.90068(15) 0.0244(7) Uani 1 1 d .
C2 C 1.0915(4) 0.9194(4) 0.87486(17) 0.0320(8) Uani 1 1 d .
H2 H 1.0916 0.9468 0.8343 0.038 Uiso 1 1 calc R
C3 C 1.1987(4) 0.9234(4) 0.90864(19) 0.0380(9) Uani 1 1 d .
H3 H 1.2707 0.9530 0.8908 0.046 Uiso 1 1 calc R
C4 C 1.1992(4) 0.8837(4) 0.96895(18) 0.0365(9) Uani 1 1 d .
H4 H 1.2711 0.8874 0.9918 0.044 Uiso 1 1 calc R
C5 C 1.0935(4) 0.8384(4) 0.99537(17) 0.0366(9) Uani 1 1 d .
H5 H 1.0945 0.8108 1.0359 0.044 Uiso 1 1 calc R
C6 C 0.9863(4) 0.8342(4) 0.96176(16) 0.0313(8) Uani 1 1 d .
H6 H 0.9149 0.8039 0.9798 0.038 Uiso 1 1 calc R
C7 C 0.7039(3) 1.0143(3) 0.88274(15) 0.0238(7) Uani 1 1 d .
C8 C 0.7199(4) 1.1347(3) 0.86844(16) 0.0307(8) Uani 1 1 d .
H8 H 0.8010 1.1423 0.8475 0.037 Uiso 1 1 calc R
C9 C 0.6172(4) 1.2423(4) 0.88501(18) 0.0392(9) Uani 1 1 d .
H9 H 0.6283 1.3224 0.8749 0.047 Uiso 1 1 calc R
C10 C 0.4970(4) 1.2311(4) 0.91686(18) 0.0384(9) Uani 1 1 d .
H10 H 0.4274 1.3038 0.9282 0.046 Uiso 1 1 calc R
C11 C 0.4802(4) 1.1131(4) 0.93174(17) 0.0362(9) Uani 1 1 d .
H11 H 0.3995 1.1062 0.9533 0.043 Uiso 1 1 calc R
C12 C 0.5829(3) 1.0040(3) 0.91477(15) 0.0287(8) Uani 1 1 d .
H12 H 0.5709 0.9243 0.9248 0.034 Uiso 1 1 calc R
C13 C 0.6097(3) 0.6151(3) 0.86242(16) 0.0269(8) Uani 1 1 d .
C14 C 0.5612(4) 0.6257(3) 0.92348(18) 0.0347(9) Uani 1 1 d .
H14 H 0.6153 0.6436 0.9520 0.042 Uiso 1 1 calc R
C15 C 0.4317(4) 0.6095(4) 0.9420(2) 0.0432(10) Uani 1 1 d .
H15 H 0.4000 0.6158 0.9828 0.052 Uiso 1 1 calc R
C16 C 0.3522(4) 0.5847(4) 0.9002(2) 0.0461(11) Uani 1 1 d .
H16 H 0.2651 0.5760 0.9127 0.055 Uiso 1 1 calc R
C17 C 0.3975(4) 0.5724(4) 0.8404(2) 0.0463(11) Uani 1 1 d .
H17 H 0.3418 0.5549 0.8125 0.056 Uiso 1 1 calc R
C18 C 0.5282(4) 0.5860(4) 0.82103(18) 0.0364(9) Uani 1 1 d .
H18 H 0.5603 0.5755 0.7804 0.044 Uiso 1 1 calc R
C19 C 0.9054(3) 0.4998(3) 0.85426(15) 0.0269(8) Uani 1 1 d .
C20 C 0.9871(4) 0.4915(4) 0.90190(19) 0.0387(9) Uani 1 1 d .
H20 H 0.9717 0.5600 0.9274 0.046 Uiso 1 1 calc R
C21 C 1.0929(4) 0.3814(4) 0.9121(2) 0.0523(12) Uani 1 1 d .
H21 H 1.1481 0.3764 0.9443 0.063 Uiso 1 1 calc R
C22 C 1.1154(4) 0.2809(4) 0.8750(2) 0.0534(12) Uani 1 1 d .
H22 H 1.1868 0.2077 0.8816 0.064 Uiso 1 1 calc R
C23 C 1.0331(5) 0.2868(4) 0.8277(2) 0.0541(12) Uani 1 1 d .
H23 H 1.0485 0.2174 0.8027 0.065 Uiso 1 1 calc R
C24 C 0.9275(4) 0.3960(4) 0.81732(19) 0.0409(10) Uani 1 1 d .
H24 H 0.8714 0.3997 0.7856 0.049 Uiso 1 1 calc R
C25 C 1.1099(4) 0.6614(4) 0.71194(17) 0.0392(9) Uani 1 1 d .
H25A H 1.1612 0.7189 0.7226 0.047 Uiso 1 1 calc R
H25B H 1.1059 0.6070 0.7476 0.047 Uiso 1 1 calc R
C26 C 1.4117(5) 0.5070(8) 0.6713(3) 0.111(3) Uani 1 1 d U
H26A H 1.4420 0.5808 0.6771 0.166 Uiso 1 1 calc R
H26B H 1.4646 0.4609 0.6373 0.166 Uiso 1 1 calc R
H26C H 1.4244 0.4532 0.7072 0.166 Uiso 1 1 calc R
C27 C 1.1798(7) 0.4056(6) 0.6508(4) 0.113(3) Uani 1 1 d .
H27A H 1.1693 0.3697 0.6908 0.170 Uiso 1 1 calc R
H27B H 1.2520 0.3471 0.6271 0.170 Uiso 1 1 calc R
H27C H 1.0946 0.4217 0.6316 0.170 Uiso 1 1 calc R
C28 C 1.2210(8) 0.6331(7) 0.5802(3) 0.121(3) Uani 1 1 d U
H28A H 1.1345 0.6381 0.5639 0.181 Uiso 1 1 calc R
H28B H 1.2955 0.5836 0.5540 0.181 Uiso 1 1 calc R
H28C H 1.2308 0.7173 0.5828 0.181 Uiso 1 1 calc R
C29 C 0.9004(4) 0.9503(3) 0.62654(16) 0.0314(8) Uani 1 1 d .
H29A H 0.9581 0.9018 0.5936 0.038 Uiso 1 1 calc R
H29B H 0.8095 0.9850 0.6116 0.038 Uiso 1 1 calc R
C30 C 1.1311(5) 1.0332(5) 0.6746(2) 0.0593(13) Uani 1 1 d .
H30A H 1.1122 1.0038 0.7152 0.089 Uiso 1 1 calc R
H30B H 1.1699 1.1033 0.6762 0.089 Uiso 1 1 calc R
H30C H 1.1955 0.9653 0.6526 0.089 Uiso 1 1 calc R
C31 C 0.8462(5) 1.2121(4) 0.6839(2) 0.0528(12) Uani 1 1 d .
H31A H 0.7612 1.2457 0.6647 0.079 Uiso 1 1 calc R
H31B H 0.8879 1.2793 0.6887 0.079 Uiso 1 1 calc R
H31C H 0.8277 1.1759 0.7231 0.079 Uiso 1 1 calc R
C32 C 1.0047(5) 1.1681(4) 0.56220(18) 0.0466(11) Uani 1 1 d .
H32A H 1.0624 1.1066 0.5347 0.070 Uiso 1 1 calc R
H32B H 1.0515 1.2301 0.5701 0.070 Uiso 1 1 calc R
H32C H 0.9196 1.2098 0.5444 0.070 Uiso 1 1 calc R
C33 C 0.7870(5) 0.5568(4) 0.63984(19) 0.0480(11) Uani 1 1 d .
H33A H 0.7060 0.5543 0.6662 0.058 Uiso 1 1 calc R
H33B H 0.8682 0.5013 0.6573 0.058 Uiso 1 1 calc R
C34 C 0.7752(7) 0.5163(5) 0.5778(2) 0.0811(19) Uani 1 1 d .
H34 H 0.8035 0.4344 0.5629 0.097 Uiso 1 1 calc R
C36 C 0.7496(6) 0.7374(5) 0.57373(19) 0.0592(13) Uani 1 1 d .
H36A H 0.8223 0.7608 0.5485 0.071 Uiso 1 1 calc R
H36B H 0.6707 0.8118 0.5788 0.071 Uiso 1 1 calc R
C37 C 0.5775(5) 1.0474(4) 0.7197(2) 0.0542(12) Uani 1 1 d .
H37A H 0.5616 1.0978 0.6823 0.065 Uiso 1 1 calc R
H37B H 0.6434 1.0744 0.7414 0.065 Uiso 1 1 calc R
C38 C 0.4420(4) 1.0634(5) 0.7589(2) 0.0595(14) Uani 1 1 d .
H38A H 0.4461 1.0995 0.7977 0.071 Uiso 1 1 calc R
H38B H 0.3648 1.1178 0.7384 0.071 Uiso 1 1 calc R
C39 C 0.4291(5) 0.9299(5) 0.7672(2) 0.0628(14) Uani 1 1 d .
H39A H 0.4662 0.8908 0.8048 0.075 Uiso 1 1 calc R
H39B H 0.3334 0.9290 0.7674 0.075 Uiso 1 1 calc R
C40 C 0.5122(4) 0.8640(4) 0.7137(2) 0.0475(11) Uani 1 1 d .
H40A H 0.5410 0.7726 0.7210 0.057 Uiso 1 1 calc R
H40B H 0.4601 0.8826 0.6778 0.057 Uiso 1 1 calc R
C41 C 0.6157(6) 1.0352(6) 0.4770(3) 0.0770(17) Uani 1 1 d .
H41 H 0.6930 1.0598 0.4617 0.092 Uiso 1 1 calc R
C42 C 0.5815(6) 0.9382(6) 0.4521(3) 0.0763(17) Uani 1 1 d .
H42 H 0.6364 0.8949 0.4196 0.092 Uiso 1 1 calc R
C43 C 0.4671(9) 0.9042(8) 0.4748(4) 0.1120(18) Uani 1 1 d .
C44 C 0.4304(8) 0.7981(7) 0.4503(3) 0.1120(18) Uani 1 1 d U
H44A H 0.5100 0.7443 0.4285 0.168 Uiso 1 1 calc R
H44B H 0.3582 0.8300 0.4233 0.168 Uiso 1 1 calc R
H44C H 0.3990 0.7500 0.4831 0.168 Uiso 1 1 calc R
C35 C 0.7102(9) 0.6326(6) 0.5462(3) 0.117(3) Uani 1 1 d .
H35A H 0.6106 0.6483 0.5502 0.140 Uiso 1 1 calc R
H35B H 0.7408 0.6270 0.5033 0.140 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Si Si 0.0817 0.0704 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Y Y -2.7962 3.5667 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
O1 Y1 O2 84.20(8) . .
O1 Y1 O3 160.14(9) . .
O2 Y1 O3 80.24(8) . .
O1 Y1 C25 93.39(11) . .
O2 Y1 C25 94.91(12) . .
O3 Y1 C25 100.14(11) . .
O1 Y1 C29 103.16(10) . .
O2 Y1 C29 160.48(11) . .
O3 Y1 C29 88.10(10) . .
C25 Y1 C29 102.56(13) . .
O1 Y1 O4 86.39(9) . .
O2 Y1 O4 79.30(9) . .
O3 Y1 O4 78.69(9) . .
C25 Y1 O4 174.20(12) . .
C29 Y1 O4 83.12(11) . .
P1 N1 P2 129.41(19) . .
O1 P1 N1 118.33(14) . .
O1 P1 C1 108.31(15) . .
N1 P1 C1 109.29(16) . .
O1 P1 C7 107.44(14) . .
N1 P1 C7 107.70(16) . .
C1 P1 C7 104.95(15) . .
O2 P2 N1 117.78(15) . .
O2 P2 C13 108.34(15) . .
N1 P2 C13 107.09(16) . .
O2 P2 C19 107.84(15) . .
N1 P2 C19 108.65(16) . .
C13 P2 C19 106.63(16) . .
P1 O1 Y1 135.18(14) . .
P2 O2 Y1 131.93(13) . .
C33 O3 C36 108.5(3) . .
C33 O3 Y1 125.5(2) . .
C36 O3 Y1 126.0(2) . .
C40 O4 C37 106.6(3) . .
C40 O4 Y1 127.6(2) . .
C37 O4 Y1 123.2(2) . .
C25 Si1 C28 111.7(2) . .
C25 Si1 C27 111.8(2) . .
C28 Si1 C27 107.9(4) . .
C25 Si1 C26 116.0(2) . .
C28 Si1 C26 104.4(4) . .
C27 Si1 C26 104.4(3) . .
C29 Si2 C30 109.7(2) . .
C29 Si2 C31 112.87(19) . .
C30 Si2 C31 106.0(2) . .
C29 Si2 C32 114.49(18) . .
C30 Si2 C32 107.2(2) . .
C31 Si2 C32 106.0(2) . .
C2 C1 C6 118.4(3) . .
C2 C1 P1 121.4(3) . .
C6 C1 P1 120.1(3) . .
C3 C2 C1 120.7(4) . .
C2 C3 C4 120.1(4) . .
C5 C4 C3 120.1(3) . .
C4 C5 C6 119.9(4) . .
C5 C6 C1 120.7(3) . .
C12 C7 C8 119.1(3) . .
C12 C7 P1 121.4(3) . .
C8 C7 P1 119.5(3) . .
C9 C8 C7 120.7(3) . .
C8 C9 C10 119.8(4) . .
C11 C10 C9 120.2(3) . .
C10 C11 C12 120.4(4) . .
C11 C12 C7 119.8(3) . .
C18 C13 C14 118.8(3) . .
C18 C13 P2 120.8(3) . .
C14 C13 P2 120.4(3) . .
C13 C14 C15 120.2(4) . .
C16 C15 C14 119.8(4) . .
C15 C16 C17 121.2(4) . .
C16 C17 C18 119.9(4) . .
C13 C18 C17 120.1(4) . .
C20 C19 C24 119.3(3) . .
C20 C19 P2 121.5(3) . .
C24 C19 P2 119.3(3) . .
C19 C20 C21 120.4(4) . .
C22 C21 C20 119.9(4) . .
C21 C22 C23 120.4(4) . .
C22 C23 C24 120.0(4) . .
C23 C24 C19 120.0(4) . .
Si1 C25 Y1 130.8(2) . .
Si2 C29 Y1 125.60(18) . .
O3 C33 C34 106.0(4) . .
C35 C34 C33 104.2(4) . .
O3 C36 C35 104.7(4) . .
O4 C37 C38 106.2(4) . .
C39 C38 C37 103.9(4) . .
C40 C39 C38 103.2(4) . .
O4 C40 C39 103.9(4) . .
C42 C41 C43 118.2(7) . 2_676
C41 C42 C43 120.1(6) . .
C42 C43 C41 121.7(8) . 2_676
C42 C43 C44 121.3(8) . .
C41 C43 C44 116.9(8) 2_676 .
C34 C35 C36 107.7(5) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Y1 O1 2.229(2) .
Y1 O2 2.303(2) .
Y1 O3 2.365(2) .
Y1 C25 2.421(4) .
Y1 C29 2.438(4) .
Y1 O4 2.465(2) .
N1 P1 1.578(3) .
N1 P2 1.587(3) .
P1 O1 1.521(2) .
P1 C1 1.798(3) .
P1 C7 1.810(3) .
P2 O2 1.510(2) .
P2 C13 1.799(3) .
P2 C19 1.808(4) .
O3 C33 1.444(5) .
O3 C36 1.466(5) .
O4 C40 1.427(5) .
O4 C37 1.440(5) .
Si1 C25 1.819(4) .
Si1 C28 1.838(6) .
Si1 C27 1.858(6) .
Si1 C26 1.863(5) .
Si2 C29 1.821(4) .
Si2 C30 1.869(4) .
Si2 C31 1.874(4) .
Si2 C32 1.877(4) .
C1 C2 1.386(5) .
C1 C6 1.400(5) .
C2 C3 1.378(5) .
C3 C4 1.381(5) .
C4 C5 1.376(5) .
C5 C6 1.377(5) .
C7 C12 1.391(5) .
C7 C8 1.392(5) .
C8 C9 1.375(5) .
C9 C10 1.385(5) .
C10 C11 1.372(6) .
C11 C12 1.387(5) .
C13 C18 1.386(5) .
C13 C14 1.394(5) .
C14 C15 1.395(5) .
C15 C16 1.359(6) .
C16 C17 1.360(6) .
C17 C18 1.401(5) .
C19 C20 1.376(5) .
C19 C24 1.387(5) .
C20 C21 1.392(6) .
C21 C22 1.360(6) .
C22 C23 1.378(7) .
C23 C24 1.385(6) .
C33 C34 1.484(6) .
C34 C35 1.436(7) .
C36 C35 1.488(7) .
C37 C38 1.527(6) .
C38 C39 1.506(7) .
C39 C40 1.482(6) .
C41 C42 1.358(8) .
C41 C43 1.371(9) 2_676
C42 C43 1.362(9) .
C43 C41 1.371(9) 2_676
C43 C44 1.456(10) .
