#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/27/4312718.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_4312718
loop_
_publ_author_name
'Patrice M. T. Piggot'
'Lincoln A. Hall'
'Andrew J. P. White'
'David J. Williams'
_publ_section_title
;
 Attempted Syntheses of Lanthanide(III) Complexes of the Anisole- and
 Anilinosquarate Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8344
_journal_page_last               8352
_journal_paper_doi               10.1021/ic034922p
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C33 H35 La O19'
_chemical_formula_weight         874.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 105.8280(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   27.6785(5)
_cell_length_b                   13.6572(3)
_cell_length_c                   19.7535(4)
_cell_measurement_temperature    150(2)
_cell_volume                     7183.9(3)
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measurement_device       'Nonius Kappa CCD'
_diffrn_measurement_method       'ω 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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0899
_diffrn_reflns_limit_h_max       35
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            8085
_diffrn_reflns_theta_max         27.55
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    1.272
_exptl_absorpt_correction_T_max  0.9051
_exptl_absorpt_correction_T_min  0.8034
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_description       prisms
_exptl_crystal_F_000             3536
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.364
_refine_diff_density_min         -0.710
_refine_diff_density_rms         0.114
_refine_ls_extinction_coef       0.00024(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_all   1.072
_refine_ls_goodness_of_fit_obs   1.107
_refine_ls_matrix_type           full
_refine_ls_number_parameters     540
_refine_ls_number_reflns         7507
_refine_ls_number_restraints     20
_refine_ls_restrained_S_all      1.100
_refine_ls_restrained_S_obs      1.112
_refine_ls_R_factor_all          0.0636
_refine_ls_R_factor_obs          0.0355
_refine_ls_shift/esd_max         -0.004
_refine_ls_shift/esd_mean        0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0077P)²+5.4909P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0806
_refine_ls_wR_factor_obs         0.0709
_reflns_number_observed          6232
_reflns_number_total             8085
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic034922psi20030801_060640_1.cif
_cod_data_source_block           Compound1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'Empirical'
changed to 'empirical' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0077P)^2^+5.4909P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0077P)^2^+5.4909P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_formula_sum        'C33 H35 O19 La'
_cod_database_code               4312718
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
La La 0.646997(6) 0.596673(13) 0.231390(7) 0.01577(7) Uani 1 d . .
C1A C 0.68897(11) 0.6151(2) 0.41972(14) 0.0217(7) Uani 1 d . .
O1A O 0.68797(8) 0.6181(2) 0.35599(10) 0.0306(6) Uani 1 d . .
C2A C 0.64955(12) 0.6029(2) 0.45833(15) 0.0228(7) Uani 1 d . .
O2A O 0.60386(8) 0.5951(2) 0.44197(11) 0.0323(6) Uani 1 d . .
C3A C 0.69216(12) 0.6055(3) 0.52535(15) 0.0235(7) Uani 1 d . .
O3A O 0.69512(8) 0.5970(2) 0.58868(10) 0.0315(6) Uani 1 d . .
C4A C 0.72717(12) 0.6199(2) 0.48376(14) 0.0217(7) Uani 1 d . .
C5A C 0.78064(11) 0.6322(3) 0.50014(14) 0.0221(7) Uani 1 d . .
C6A C 0.81077(12) 0.6265(3) 0.56951(15) 0.0293(8) Uani 1 d . .
H6AA H 0.79559(12) 0.6148(3) 0.60647(15) 0.035 Uiso 1 calc R .
C7A C 0.86192(12) 0.6374(3) 0.5850(2) 0.0322(8) Uani 1 d . .
H7AA H 0.88199(12) 0.6319(3) 0.6323(2) 0.039 Uiso 1 calc R .
C8A C 0.88436(12) 0.6566(3) 0.5310(2) 0.0292(8) Uani 1 d . .
C9A C 0.85514(12) 0.6636(3) 0.4618(2) 0.0287(8) Uani 1 d . .
H9AA H 0.87038(12) 0.6771(3) 0.4251(2) 0.034 Uiso 1 calc R .
C10A C 0.80382(12) 0.6510(3) 0.4466(2) 0.0274(7) Uani 1 d . .
H10A H 0.78390(12) 0.6551(3) 0.3992(2) 0.033 Uiso 1 calc R .
O11A O 0.93569(8) 0.6656(2) 0.55132(11) 0.0392(7) Uani 1 d . .
C12A C 0.95924(14) 0.6985(4) 0.4987(2) 0.0544(13) Uani 1 d . .
H12A H 0.99566(14) 0.7020(4) 0.5193(2) 0.082 Uiso 1 calc R .
H12B H 0.94638(14) 0.7635(4) 0.4819(2) 0.082 Uiso 1 calc R .
H12C H 0.95169(14) 0.6524(4) 0.4592(2) 0.082 Uiso 1 calc R .
C1B C 0.69435(12) 0.8414(3) 0.25212(15) 0.0252(7) Uani 1 d . .
O1B O 0.66569(9) 0.7710(2) 0.25049(12) 0.0370(6) Uani 1 d . .
C2B C 0.74960(11) 0.8536(3) 0.25837(15) 0.0246(7) Uani 1 d . .
O2B O 0.78506(9) 0.8011(2) 0.25841(12) 0.0367(6) Uani 1 d . .
C3B C 0.74048(11) 0.9621(3) 0.25721(13) 0.0200(7) Uani 1 d . .
O3B O 0.76754(7) 1.0354(2) 0.26038(10) 0.0226(5) Uani 1 d . .
C4B C 0.68784(11) 0.9447(2) 0.24769(13) 0.0206(7) Uani 1 d . .
C5B C 0.64340(11) 1.0063(3) 0.23235(14) 0.0240(7) Uani 1 d . .
C6B C 0.64691(11) 1.1077(3) 0.23004(15) 0.0272(8) Uani 1 d . .
H6BA H 0.67899(11) 1.1382(3) 0.24257(15) 0.033 Uiso 1 calc R .
C7B C 0.60459(13) 1.1639(3) 0.2099(2) 0.0386(9) Uani 1 d . .
H7BA H 0.60749(13) 1.2332(3) 0.2090(2) 0.046 Uiso 1 calc R .
C8B C 0.55734(13) 1.1208(4) 0.1906(2) 0.0439(11) Uani 1 d . .
C9B C 0.55282(12) 1.0210(4) 0.1940(2) 0.0418(11) Uani 1 d . .
H9BA H 0.52051(12) 0.9916(4) 0.1820(2) 0.050 Uiso 1 calc R .
C10B C 0.59553(12) 0.9632(3) 0.2150(2) 0.0333(9) Uani 1 d . .
H10B H 0.59237(12) 0.8941(3) 0.2176(2) 0.040 Uiso 1 calc R .
O11B O 0.51742(10) 1.1836(3) 0.16991(14) 0.0658(10) Uani 1 d U .
C12B C 0.4682(2) 1.1426(5) 0.1401(2) 0.090(2) Uani 1 d U .
H12D H 0.4434(2) 1.1956(5) 0.1277(2) 0.135 Uiso 1 calc R .
H12E H 0.4595(2) 1.0992(5) 0.1745(2) 0.135 Uiso 1 calc R .
H12F H 0.4681(2) 1.1052(5) 0.0977(2) 0.135 Uiso 1 calc R .
C1C C 0.62903(12) 0.6403(3) -0.0470(2) 0.0263(7) Uani 1 d . .
O1C O 0.61336(9) 0.6361(2) -0.11205(11) 0.0343(6) Uani 1 d . .
C2C C 0.60261(13) 0.6513(3) 0.0095(2) 0.0306(8) Uani 1 d . .
O2C O 0.55875(8) 0.6555(2) 0.01173(11) 0.0442(8) Uani 1 d . .
C3C C 0.65301(12) 0.6528(3) 0.0609(2) 0.0261(7) Uani 1 d . .
O3C O 0.66864(8) 0.6637(2) 0.12642(10) 0.0298(6) Uani 1 d . .
C4C C 0.67671(12) 0.6399(3) 0.00565(15) 0.0246(7) Uani 1 d . .
C5C C 0.72837(12) 0.6310(3) 0.00512(15) 0.0235(7) Uani 1 d . .
C6C C 0.76704(12) 0.6321(3) 0.0681(2) 0.0265(7) Uani 1 d . .
H6CA H 0.75900(12) 0.6378(3) 0.1117(2) 0.032 Uiso 1 calc R .
C7C C 0.81657(12) 0.6249(3) 0.0674(2) 0.0291(8) Uani 1 d . .
H7CA H 0.84245(12) 0.6263(3) 0.1104(2) 0.035 Uiso 1 calc R .
C8C C 0.82864(12) 0.6157(3) 0.0039(2) 0.0269(7) Uani 1 d . .
C9C C 0.79130(12) 0.6132(3) -0.0591(2) 0.0284(8) Uani 1 d . .
H9CA H 0.79968(12) 0.6062(3) -0.1024(2) 0.034 Uiso 1 calc R .
C10C C 0.74142(12) 0.6211(3) -0.0582(2) 0.0273(8) Uani 1 d . .
H10C H 0.71571(12) 0.6196(3) -0.1013(2) 0.033 Uiso 1 calc R .
O11C O 0.87865(8) 0.6101(2) 0.00829(11) 0.0358(6) Uani 1 d . .
C12C C 0.89285(13) 0.5937(3) -0.0551(2) 0.0372(9) Uani 1 d . .
H12G H 0.92955(13) 0.5913(3) -0.0444(2) 0.056 Uiso 1 calc R .
H12H H 0.88005(13) 0.6471(3) -0.0883(2) 0.056 Uiso 1 calc R .
H12I H 0.87870(13) 0.5314(3) -0.0761(2) 0.056 Uiso 1 calc R .
O21 O 0.64318(9) 0.4248(2) 0.27726(11) 0.0327(6) Uani 1 d D .
H21A H 0.6618(14) 0.3771(22) 0.2655(22) 0.060(14) Uiso 1 d D .
H21B H 0.6352(17) 0.3994(34) 0.3148(15) 0.078(16) Uiso 1 d D .
O22 O 0.57815(8) 0.6021(2) 0.29646(11) 0.0280(5) Uani 1 d D .
H22A H 0.5526(11) 0.5610(26) 0.2777(19) 0.059(13) Uiso 1 d D .
H22B H 0.5894(14) 0.5957(30) 0.3435(3) 0.047(12) Uiso 1 d D .
O23 O 0.56362(8) 0.6525(2) 0.15411(11) 0.0364(7) Uani 1 d D .
H23A H 0.5549(18) 0.6544(43) 0.1068(2) 0.087(17) Uiso 1 d D .
H23B H 0.5366(9) 0.6846(27) 0.1598(19) 0.051(12) Uiso 1 d D .
O24 O 0.61921(8) 0.4771(2) 0.13105(10) 0.0296(5) Uani 1 d D .
H24A H 0.6415(11) 0.4456(28) 0.1131(18) 0.054(12) Uiso 1 d D .
H24B H 0.5901(9) 0.4443(31) 0.1159(20) 0.067(15) Uiso 1 d D .
O30 O 0.5231(4) 0.3833(8) 0.1234(6) 0.037(2) Uani 0.50 d P .
O31 O 0.4845(3) 0.3571(6) 0.1637(3) 0.064(2) Uiso 0.44 d P .
O32 O 0.5210(6) 0.4516(15) 0.0670(9) 0.048(4) Uiso 0.18 d P .
O33 O 0.5184(15) 0.3904(33) 0.1057(16) 0.039(10) Uiso 0.17 d P .
O34 O 0.5356(10) 0.4118(24) 0.0666(14) 0.041(6) Uiso 0.11 d P .
O35 O 0.5320(12) 0.4461(28) 0.0322(17) 0.057(8) Uiso 0.10 d P .
O40 O 0.5021(3) 0.4818(4) 0.2335(3) 0.036(2) Uani 0.50 d P -1
O50 O 0.9841(2) 0.7488(5) 0.6817(3) 0.0338(12) Uani 0.50 d P .
O50' O 1.0045(2) 0.7009(5) 0.6778(2) 0.0332(12) Uani 0.50 d P .
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'
O O 0.0106 0.0060 '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
O1A La O1B 72.89(8) . . ?
O1A La O3B 78.48(7) . 4_645 ?
O1B La O3B 99.27(8) . 4_645 ?
O1A La O3C 130.45(8) . . ?
O1B La O3C 71.40(8) . . ?
O3B La O3C 74.65(7) 4_645 . ?
O1A La O23 132.56(7) . . ?
O1B La O23 85.36(9) . . ?
O3B La O23 147.81(6) 4_645 . ?
O3C La O23 76.81(7) . . ?
O1A La O24 146.31(9) . . ?
O1B La O24 139.37(8) . . ?
O3B La O24 85.04(7) 4_645 . ?
O3C La O24 70.95(8) . . ?
O23 La O24 71.72(8) . . ?
O1A La O21 78.59(8) . . ?
O1B La O21 151.26(8) . . ?
O3B La O21 78.17(7) 4_645 . ?
O3C La O21 133.16(8) . . ?
O23 La O21 112.21(9) . . ?
O24 La O21 69.32(8) . . ?
O1A La O22 72.27(7) . . ?
O1B La O22 92.82(8) . . ?
O3B La O22 143.36(7) 4_645 . ?
O3C La O22 141.81(7) . . ?
O23 La O22 67.19(7) . . ?
O24 La O22 107.62(7) . . ?
O21 La O22 74.87(8) . . ?
O1A C1A C4A 134.8(3) . . ?
O1A C1A C2A 134.0(3) . . ?
C4A C1A C2A 91.2(2) . . ?
C1A O1A La 152.9(2) . . ?
O2A C2A C1A 135.9(3) . . ?
O2A C2A C3A 137.5(3) . . ?
C1A C2A C3A 86.6(2) . . ?
O3A C3A C4A 135.9(3) . . ?
O3A C3A C2A 134.7(3) . . ?
C4A C3A C2A 89.4(2) . . ?
C1A C4A C5A 132.9(3) . . ?
C1A C4A C3A 92.8(2) . . ?
C5A C4A C3A 134.2(3) . . ?
C6A C5A C10A 118.4(3) . . ?
C6A C5A C4A 121.1(3) . . ?
C10A C5A C4A 120.5(3) . . ?
C7A C6A C5A 121.1(3) . . ?
C6A C7A C8A 119.7(3) . . ?
O11A C8A C9A 124.1(3) . . ?
O11A C8A C7A 115.7(3) . . ?
C9A C8A C7A 120.2(3) . . ?
C10A C9A C8A 119.6(3) . . ?
C9A C10A C5A 121.0(3) . . ?
C8A O11A C12A 116.9(3) . . ?
O1B C1B C4B 134.3(3) . . ?
O1B C1B C2B 135.5(3) . . ?
C4B C1B C2B 90.3(3) . . ?
C1B O1B La 150.0(2) . . ?
O2B C2B C3B 135.6(3) . . ?
O2B C2B C1B 137.4(3) . . ?
C3B C2B C1B 86.8(2) . . ?
O3B C3B C4B 135.8(3) . . ?
O3B C3B C2B 134.3(3) . . ?
C4B C3B C2B 89.9(3) . . ?
C3B O3B La 146.1(2) . 4_655 ?
C1B C4B C3B 92.8(3) . . ?
C1B C4B C5B 132.4(3) . . ?
C3B C4B C5B 134.6(3) . . ?
C6B C5B C10B 118.7(3) . . ?
C6B C5B C4B 121.4(3) . . ?
C10B C5B C4B 119.8(3) . . ?
C7B C6B C5B 120.5(3) . . ?
C6B C7B C8B 120.7(4) . . ?
O11B C8B C9B 124.0(4) . . ?
O11B C8B C7B 116.0(4) . . ?
C9B C8B C7B 120.0(4) . . ?
C8B C9B C10B 119.9(3) . . ?
C9B C10B C5B 120.3(4) . . ?
C8B O11B C12B 118.3(4) . . ?
O1C C1C C4C 137.8(3) . . ?
O1C C1C C2C 132.2(3) . . ?
C4C C1C C2C 90.0(2) . . ?
O2C C2C C3C 136.7(3) . . ?
O2C C2C C1C 136.0(3) . . ?
C3C C2C C1C 87.3(2) . . ?
O3C C3C C4C 134.4(3) . . ?
O3C C3C C2C 134.5(3) . . ?
C4C C3C C2C 91.0(2) . . ?
C3C O3C La 136.3(2) . . ?
C3C C4C C5C 132.9(3) . . ?
C3C C4C C1C 91.7(2) . . ?
C5C C4C C1C 135.4(3) . . ?
C10C C5C C6C 118.2(3) . . ?
C10C C5C C4C 120.9(3) . . ?
C6C C5C C4C 120.9(3) . . ?
C7C C6C C5C 120.8(3) . . ?
C6C C7C C8C 120.0(3) . . ?
O11C C8C C9C 123.4(3) . . ?
O11C C8C C7C 116.0(3) . . ?
C9C C8C C7C 120.6(3) . . ?
C8C C9C C10C 119.2(3) . . ?
C9C C10C C5C 121.2(3) . . ?
C8C O11C C12C 118.0(3) . . ?
O34 O30 O32 28.0(13) . . ?
O34 O30 O31 152.7(15) . . ?
O32 O30 O31 131.5(10) . . ?
O30 O31 O33 10.4(13) . . ?
O34 O32 O35 64.1(31) . . ?
O34 O32 O33 64.6(36) . . ?
O35 O32 O33 126.3(41) . . ?
O34 O32 O30 65.9(31) . . ?
O35 O32 O30 129.5(34) . . ?
O33 O32 O30 8.6(21) . . ?
O34 O33 O32 35.6(21) . . ?
O34 O33 O31 174.3(33) . . ?
O32 O33 O31 141.0(36) . . ?
O34 O33 O35 15.9(22) . . ?
O32 O33 O35 22.2(17) . . ?
O31 O33 O35 159.0(27) . . ?
O32 O34 O35 66.9(39) . . ?
O32 O34 O33 79.9(38) . . ?
O35 O34 O33 143.1(50) . . ?
O32 O34 O30 86.1(33) . . ?
O35 O34 O30 152.2(46) . . ?
O33 O34 O30 11.2(23) . . ?
O34 O35 O32 49.0(28) . . ?
O34 O35 O33 21.0(29) . . ?
O32 O35 O33 31.6(26) . . ?
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
La O1A 2.430(2) . ?
La O1B 2.443(3) . ?
La O3B 2.472(2) 4_645 ?
La O3C 2.485(2) . ?
La O23 2.513(2) . ?
La O24 2.521(2) . ?
La O21 2.528(3) . ?
La O22 2.574(2) . ?
C1A O1A 1.252(3) . ?
C1A C4A 1.412(4) . ?
C1A C2A 1.501(4) . ?
C2A O2A 1.221(4) . ?
C2A C3A 1.514(4) . ?
C3A O3A 1.237(3) . ?
C3A C4A 1.445(4) . ?
C4A C5A 1.436(4) . ?
C5A C6A 1.398(4) . ?
C5A C10A 1.402(4) . ?
C6A C7A 1.373(4) . ?
C7A C8A 1.398(4) . ?
C8A O11A 1.373(4) . ?
C8A C9A 1.389(4) . ?
C9A C10A 1.380(4) . ?
O11A C12A 1.441(4) . ?
C1B O1B 1.242(4) . ?
C1B C4B 1.421(5) . ?
C1B C2B 1.509(4) . ?
C2B O2B 1.215(4) . ?
C2B C3B 1.503(5) . ?
C3B O3B 1.241(4) . ?
C3B C4B 1.437(4) . ?
O3B La 2.472(2) 4_655 ?
C4B C5B 1.453(4) . ?
C5B C6B 1.390(5) . ?
C5B C10B 1.404(4) . ?
C6B C7B 1.366(5) . ?
C7B C8B 1.389(5) . ?
C8B O11B 1.370(5) . ?
C8B C9B 1.372(6) . ?
C9B C10B 1.388(5) . ?
O11B C12B 1.443(6) . ?
C1C O1C 1.240(4) . ?
C1C C4C 1.441(4) . ?
C1C C2C 1.499(4) . ?
C2C O2C 1.228(4) . ?
C2C C3C 1.485(5) . ?
C3C O3C 1.257(4) . ?
C3C C4C 1.429(4) . ?
C4C C5C 1.438(4) . ?
C5C C10C 1.400(4) . ?
C5C C6C 1.402(4) . ?
C6C C7C 1.378(4) . ?
C7C C8C 1.389(4) . ?
C8C O11C 1.365(4) . ?
C8C C9C 1.384(5) . ?
C9C C10C 1.390(4) . ?
O11C C12C 1.429(4) . ?
O30 O34 1.32(3) . ?
O30 O32 1.44(2) . ?
O30 O31 1.538(13) . ?
O31 O33 1.73(4) . ?
O32 O34 0.68(3) . ?
O32 O35 0.83(3) . ?
O32 O33 1.15(4) . ?
O33 O34 1.05(4) . ?
O33 O35 1.77(5) . ?
O34 O35 0.81(4) . ?
O50 O50' 0.881(6) . ?
