#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:50:02 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179766 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/62/7006235.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_7006235
loop_
_publ_author_name
'Andrews, Philip C.'
'Beck, Tobias'
'Forsyth, Craig M.'
'Fraser, Benjamin H.'
'Junk, Peter C.'
'Massi, Massimiliano'
'Roesky, Peter W.'
_publ_section_title
;
 Templated assembly of a mu6-CO3 2- dodecanuclear lanthanum
 dibenzoylmethanide hydroxido cluster with concomitant formation of
 phenylglyoxylate.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5651
_journal_page_last               5654
_journal_paper_doi               10.1039/b710534g
_journal_year                    2007
_chemical_formula_moiety         'C288 H228 La12 O64, 10(C7 H8)'
_chemical_formula_sum            'C358 H308 La12 O64'
_chemical_formula_weight         7300.96
_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                107.81(3)
_cell_angle_beta                 111.54(3)
_cell_angle_gamma                102.31(3)
_cell_formula_units_Z            1
_cell_length_a                   19.861(4)
_cell_length_b                   21.886(4)
_cell_length_c                   22.000(4)
_cell_measurement_temperature    123(2)
_cell_volume                     7876(5)
_computing_cell_refinement       'Bruker Apex ii v1.0 (Bruker AXS, 2004)'
_computing_data_collection       'Bruker Apex ii v1.0 (Bruker AXS, 2004)'
_computing_data_reduction        'Bruker Apex ii v1.0 (Bruker AXS, 2004)'
_computing_molecular_graphics    'X-Seed (Barbour, 2001)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker X8 Apex CCD'
_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  0.0416
_diffrn_reflns_av_sigmaI/netI    0.0680
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            68311
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         2.00
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.666
_exptl_absorpt_correction_T_max  0.8511
_exptl_absorpt_correction_T_min  0.6809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.539
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             3652
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.967
_refine_diff_density_min         -1.727
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.098
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     1938
_refine_ls_number_reflns         35887
_refine_ls_number_restraints     144
_refine_ls_restrained_S_all      2.240
_refine_ls_R_factor_all          0.0681
_refine_ls_R_factor_gt           0.0536
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0295P)²+34.7143P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1135
_refine_ls_wR_factor_ref         0.1229
_reflns_number_gt                29793
_reflns_number_total             35887
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b710534g.txt
_cod_data_source_block           tbx20_m
_cod_original_cell_volume        7876(3)
_cod_database_code               7006235
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 0.50162(3) 0.33715(3) 0.91976(3) 0.015 Uani 1 1 d . . .
La2 La 0.34074(3) 0.43311(3) 0.90037(3) 0.015 Uani 1 1 d . . .
La3 La 0.42903(3) 0.39844(3) 0.76651(3) 0.017 Uani 1 1 d . B .
La4 La 0.60405(4) 0.59216(3) 0.83651(3) 0.020 Uani 1 1 d . . .
La5 La 0.60151(4) 0.78407(3) 0.99670(3) 0.022 Uani 1 1 d . . .
La6 La 0.41650(3) 0.59552(3) 0.87337(3) 0.018 Uani 1 1 d . . .
O1 O 0.3973(4) 0.3466(4) 0.8355(4) 0.018 Uani 1 1 d . . .
O2 O 0.5534(4) 0.3878(4) 0.8431(4) 0.021 Uani 1 1 d . . .
O3 O 0.3349(4) 0.4489(4) 0.8016(4) 0.021 Uani 1 1 d . . .
O4 O 0.4750(4) 0.5057(4) 0.9025(3) 0.017 Uani 1 1 d . . .
O5 O 0.3789(4) 0.5703(4) 0.9552(3) 0.018 Uani 1 1 d . . .
O6 O 0.4638(4) 0.5288(4) 0.7893(4) 0.021 Uani 1 1 d . . .
O7 O 0.5692(4) 0.6500(4) 0.9326(4) 0.021 Uani 1 1 d . . .
O8 O 0.6901(5) 0.6046(5) 0.7852(4) 0.038 Uani 1 1 d . . .
O9 O 0.5351(5) 0.5770(5) 0.7226(4) 0.034 Uani 1 1 d . . .
O10 O 0.6271(5) 0.7284(4) 0.8818(4) 0.029 Uani 1 1 d . . .
O11 O 0.4800(5) 0.7113(4) 0.8718(4) 0.029 Uani 1 1 d . . .
O12 O 0.6398(5) 0.8865(4) 0.9832(4) 0.034 Uani 1 1 d . . .
O13 O 0.5246(5) 0.8576(4) 1.0220(5) 0.035 Uani 1 1 d . . .
O14 O 0.7467(4) 0.8180(4) 1.0452(4) 0.028 Uani 1 1 d . . .
O15 O 0.6763(5) 0.8867(4) 1.1262(4) 0.028 Uani 1 1 d . . .
O16 O 0.3127(4) 0.6370(4) 0.8864(4) 0.030 Uani 1 1 d . . .
O17 O 0.3195(5) 0.5578(5) 0.7564(4) 0.032 Uani 1 1 d . . .
O18 O 0.3890(4) 0.3852(4) 0.6509(4) 0.027 Uani 1 1 d . . .
O19 O 0.5497(4) 0.4458(4) 0.7482(4) 0.021 Uani 1 1 d . . .
O20 O 0.3104(4) 0.2812(4) 0.6819(4) 0.027 Uani 1 1 d . . .
O21 O 0.4567(4) 0.2888(4) 0.7006(4) 0.022 Uani 1 1 d . . .
O22 O 0.4621(4) 0.2128(4) 0.8124(4) 0.025 Uani 1 1 d . . .
O23 O 0.6146(4) 0.3139(4) 0.9157(4) 0.023 Uani 1 1 d . . .
O24 O 0.2082(4) 0.4119(4) 0.8385(4) 0.023 Uani 1 1 d . . .
O25 O 0.2506(4) 0.2944(4) 0.8300(4) 0.023 Uani 1 1 d . . .
O26 O 0.7359(4) 0.6802(4) 0.9536(4) 0.024 Uani 1 1 d . . .
O27 O 0.4497(4) 0.5231(4) 1.0314(4) 0.017 Uani 1 1 d . . .
O28 O 0.4294(4) 0.4043(4) 0.9859(3) 0.016 Uani 1 1 d . . .
O29 O 0.2822(4) 0.4379(4) 0.9831(4) 0.023 Uani 1 1 d . . .
O30 O 0.3452(4) 0.4619(4) 1.0926(4) 0.022 Uani 1 1 d . . .
O31 O 0.5099(4) 0.2844(4) 0.9950(4) 0.022 Uani 1 1 d . . .
O32 O 0.3592(4) 0.2467(4) 0.8873(4) 0.023 Uani 1 1 d . . .
C1 C 0.6890(8) 0.6062(8) 0.7318(7) 0.041 Uani 1 1 d . A .
C2 C 0.7623(9) 0.6182(9) 0.7274(8) 0.054 Uani 1 1 d D . .
C3 C 0.7883(16) 0.6487(18) 0.6934(17) 0.055 Uani 0.53 1 d PD A 2
H3 H 0.7560 0.6684 0.6686 0.066 Uiso 0.53 1 calc PR A 2
C3' C 0.7625(18) 0.596(2) 0.6609(16) 0.066 Uani 0.47 1 d PD A 1
H3' H 0.7156 0.5694 0.6169 0.079 Uiso 0.47 1 calc PR A 1
C4 C 0.8575(17) 0.6558(18) 0.6890(19) 0.055 Uani 0.53 1 d PD A 2
H4 H 0.8714 0.6832 0.6662 0.066 Uiso 0.53 1 calc PR A 2
C4' C 0.835(2) 0.613(2) 0.662(2) 0.080 Uani 0.47 1 d PD A 1
H4' H 0.8401 0.5926 0.6201 0.096 Uiso 0.47 1 calc PR A 1
C5 C 0.9056(17) 0.6249(18) 0.7159(19) 0.060 Uani 0.53 1 d PD A 2
H5 H 0.9516 0.6275 0.7111 0.072 Uiso 0.53 1 calc PR A 2
C5' C 0.901(2) 0.662(2) 0.726(2) 0.078 Uani 0.47 1 d PD A 1
H5' H 0.9494 0.6752 0.7255 0.094 Uiso 0.47 1 calc PR A 1
C6 C 0.8829(15) 0.5902(16) 0.7501(15) 0.049 Uani 0.53 1 d PD A 2
H6 H 0.9141 0.5674 0.7707 0.059 Uiso 0.53 1 calc PR A 2
C6' C 0.8995(17) 0.6912(19) 0.792(2) 0.074 Uani 0.47 1 d PD A 1
H6' H 0.9452 0.7233 0.8349 0.088 Uiso 0.47 1 calc PR A 1
C7 C 0.8149(15) 0.5866(15) 0.7563(14) 0.048 Uani 0.53 1 d PD A 2
H7 H 0.8025 0.5614 0.7814 0.058 Uiso 0.53 1 calc PR A 2
C7' C 0.8274(14) 0.6710(16) 0.7910(17) 0.055 Uani 0.47 1 d PD A 1
H7' H 0.8220 0.6924 0.8327 0.066 Uiso 0.47 1 calc PR A 1
C8 C 0.6235(9) 0.5963(9) 0.6797(8) 0.057 Uani 1 1 d . . .
H8 H 0.6255 0.5980 0.6378 0.068 Uiso 1 1 calc R A .
C9 C 0.5513(9) 0.5836(8) 0.6776(7) 0.041 Uani 1 1 d . A .
C10 C 0.4869(9) 0.5774(9) 0.6199(8) 0.056 Uani 1 1 d D . .
C11 C 0.4851(17) 0.5457(16) 0.5483(13) 0.051 Uani 0.49 1 d PD A 1
H11 H 0.5266 0.5334 0.5436 0.062 Uiso 0.49 1 calc PR A 1
C11' C 0.5048(14) 0.6338(13) 0.6027(12) 0.036 Uani 0.51 1 d PD A 2
H11' H 0.5556 0.6674 0.6242 0.044 Uiso 0.51 1 calc PR A 2
C12 C 0.4202(18) 0.5359(18) 0.4911(15) 0.065 Uani 0.49 1 d PD A 1
H12 H 0.4152 0.5190 0.4438 0.078 Uiso 0.49 1 calc PR A 1
C12' C 0.4420(15) 0.6339(16) 0.5527(14) 0.051 Uani 0.51 1 d PD A 2
H12' H 0.4488 0.6654 0.5319 0.061 Uiso 0.51 1 calc PR A 2
C13 C 0.3608(19) 0.5516(19) 0.5038(14) 0.062 Uani 0.49 1 d PD A 1
H13 H 0.3169 0.5467 0.4631 0.074 Uiso 0.49 1 calc PR A 1
C13' C 0.3670(18) 0.591(2) 0.529(2) 0.089 Uani 0.51 1 d PD A 2
H13' H 0.3248 0.5980 0.4981 0.107 Uiso 0.51 1 calc PR A 2
C14 C 0.3580(19) 0.5738(19) 0.5699(15) 0.064 Uani 0.49 1 d PD A 1
H14 H 0.3156 0.5839 0.5748 0.077 Uiso 0.49 1 calc PR A 1
C14' C 0.3501(19) 0.537(2) 0.550(2) 0.104 Uani 0.51 1 d PD A 2
H14' H 0.2992 0.5044 0.5308 0.125 Uiso 0.51 1 calc PR A 2
C15 C 0.4215(16) 0.5790(18) 0.6251(14) 0.053 Uani 0.49 1 d PD A 1
H15 H 0.4204 0.5840 0.6691 0.064 Uiso 0.49 1 calc PR A 1
C15' C 0.4153(16) 0.537(2) 0.5999(17) 0.080 Uani 0.51 1 d PD A 2
H15' H 0.4093 0.5067 0.6220 0.096 Uiso 0.51 1 calc PR A 2
C16 C 0.6107(8) 0.7546(6) 0.8428(7) 0.035 Uani 1 1 d . B 2
C17 C 0.6750(9) 0.7879(6) 0.8316(7) 0.038 Uani 1 1 d . . .
C18 C 0.6647(11) 0.8133(9) 0.7868(9) 0.059 Uani 1 1 d . B .
H18 H 0.6140 0.8099 0.7572 0.071 Uiso 1 1 calc R . .
C19 C 0.7272(13) 0.8461(11) 0.7806(11) 0.080 Uani 1 1 d . . .
H19 H 0.7165 0.8645 0.7457 0.096 Uiso 1 1 calc R B .
C20 C 0.7999(12) 0.8548(9) 0.8176(10) 0.073 Uani 1 1 d . B .
H20 H 0.8410 0.8781 0.8110 0.087 Uiso 1 1 calc R . .
C21 C 0.8098(11) 0.8299(10) 0.8615(9) 0.071 Uani 1 1 d . . .
H21 H 0.8609 0.8341 0.8913 0.085 Uiso 1 1 calc R B .
C22 C 0.7479(9) 0.7960(8) 0.8682(8) 0.051 Uani 1 1 d . B .
H22 H 0.7589 0.7767 0.9023 0.062 Uiso 1 1 calc R . .
C23 C 0.5380(8) 0.7535(7) 0.8144(7) 0.040 Uani 1 1 d . . .
H23 H 0.5264 0.7700 0.7780 0.048 Uiso 1 1 calc R B 2
C24 C 0.4767(8) 0.7327(6) 0.8284(6) 0.035 Uani 1 1 d . B .
C25 C 0.4059(5) 0.7406(6) 0.8016(6) 0.052 Uani 1 1 d G . .
C26 C 0.3757(7) 0.7312(7) 0.7301(6) 0.095 Uani 1 1 d G B .
H26 H 0.4022 0.7179 0.7031 0.114 Uiso 1 1 calc R . .
C27 C 0.3069(8) 0.7413(9) 0.6982(6) 0.134 Uani 1 1 d G B .
H27 H 0.2863 0.7349 0.6493 0.161 Uiso 1 1 calc R . .
C28 C 0.2682(6) 0.7608(8) 0.7377(8) 0.130 Uani 1 1 d G B .
H28 H 0.2211 0.7678 0.7158 0.156 Uiso 1 1 calc R . .
C29 C 0.2983(7) 0.7702(7) 0.8091(8) 0.088 Uani 1 1 d G B .
H29 H 0.2719 0.7835 0.8362 0.106 Uiso 1 1 calc R . .
C30 C 0.3672(6) 0.7601(6) 0.8411(5) 0.060 Uani 1 1 d G B .
H30 H 0.3878 0.7665 0.8899 0.072 Uiso 1 1 calc R . .
C31 C 0.6442(8) 0.9540(6) 1.0157(7) 0.034 Uani 1 1 d . B .
C32 C 0.6994(9) 1.0082(7) 1.0109(7) 0.043 Uani 1 1 d . . .
C33 C 0.6997(10) 1.0790(8) 1.0295(9) 0.058 Uani 1 1 d . B .
H33 H 0.6646 1.0920 1.0459 0.069 Uiso 1 1 calc R . .
C34 C 0.7513(12) 1.1257(9) 1.0228(11) 0.075 Uani 1 1 d . . .
H34 H 0.7544 1.1722 1.0359 0.090 Uiso 1 1 calc R B .
C35 C 0.8004(12) 1.1017(9) 0.9953(11) 0.075 Uani 1 1 d . B .
H35 H 0.8362 1.1335 0.9899 0.090 Uiso 1 1 calc R . .
C36 C 0.7984(10) 1.0311(8) 0.9751(10) 0.057 Uani 1 1 d . . .
H36 H 0.8316 1.0171 0.9566 0.069 Uiso 1 1 calc R B .
C37 C 0.7478(9) 0.9857(7) 0.9834(8) 0.046 Uani 1 1 d . B .
H37 H 0.7451 0.9393 0.9707 0.055 Uiso 1 1 calc R . .
C38 C 0.6012(8) 0.9771(7) 1.0521(7) 0.037 Uani 1 1 d . . .
H38 H 0.6120 1.0250 1.0756 0.045 Uiso 1 1 calc R B .
C39 C 0.5429(8) 0.9280(7) 1.0529(7) 0.035 Uani 1 1 d . B .
C40 C 0.4990(9) 0.9585(7) 1.0924(8) 0.045 Uani 1 1 d . . .
C41 C 0.4935(10) 1.0262(8) 1.1102(9) 0.053 Uani 1 1 d . B .
H41 H 0.5225 1.0578 1.0993 0.064 Uiso 1 1 calc R . .
C42 C 0.4483(11) 1.0488(9) 1.1424(10) 0.065 Uani 1 1 d . . .
H42 H 0.4476 1.0941 1.1532 0.078 Uiso 1 1 calc R B .
C43 C 0.4062(12) 1.0039(10) 1.1575(11) 0.072 Uani 1 1 d . B .
H43 H 0.3729 1.0155 1.1772 0.086 Uiso 1 1 calc R . .
C44 C 0.4140(13) 0.9382(10) 1.1426(11) 0.074 Uani 1 1 d . . .
H44 H 0.3870 0.9076 1.1559 0.089 Uiso 1 1 calc R B .
C45 C 0.4593(11) 0.9142(9) 1.1093(9) 0.058 Uani 1 1 d . B .
H45 H 0.4610 0.8694 1.0998 0.069 Uiso 1 1 calc R . .
C46 C 0.7994(7) 0.8866(6) 1.0849(6) 0.029 Uani 1 1 d . B .
C47 C 0.8699(7) 0.8974(7) 1.0733(7) 0.035 Uani 1 1 d . . .
C48 C 0.9047(8) 0.9596(8) 1.0730(8) 0.045 Uani 1 1 d . B .
H48 H 0.8852 0.9958 1.0815 0.054 Uiso 1 1 calc R . .
C49 C 0.9690(9) 0.9675(10) 1.0596(10) 0.063 Uani 1 1 d . . .
H49 H 0.9938 1.0097 1.0597 0.075 Uiso 1 1 calc R B .
C50 C 0.9977(9) 0.9138(10) 1.0461(10) 0.068 Uani 1 1 d . B .
H50 H 1.0407 0.9204 1.0362 0.082 Uiso 1 1 calc R . .
C51 C 0.9645(9) 0.8514(10) 1.0470(10) 0.065 Uani 1 1 d . . .
H51 H 0.9846 0.8157 1.0388 0.078 Uiso 1 1 calc R B .
C52 C 0.9010(8) 0.8439(8) 1.0602(8) 0.046 Uani 1 1 d . B .
H52 H 0.8769 0.8017 1.0607 0.055 Uiso 1 1 calc R . .
C53 C 0.7961(7) 0.9488(6) 1.1372(6) 0.029 Uani 1 1 d . . .
H53 H 0.8367 0.9921 1.1568 0.035 Uiso 1 1 calc R B .
C54 C 0.7371(7) 0.9471(6) 1.1588(6) 0.027 Uani 1 1 d . B .
C55 C 0.7466(3) 1.0205(3) 1.2282(3) 0.034 Uani 1 1 d GD . .
C56 C 0.8112(3) 1.0817(3) 1.2684(3) 0.036 Uani 1 1 d GD B .
H56 H 0.8536 1.0871 1.2577 0.043 Uiso 1 1 calc R . .
C57 C 0.8137(3) 1.1350(3) 1.3244(3) 0.057 Uani 1 1 d GD B .
H57 H 0.8578 1.1768 1.3520 0.068 Uiso 1 1 calc R . .
C58 C 0.7516(4) 1.1271(3) 1.3402(3) 0.058 Uani 1 1 d GD B .
H58 H 0.7533 1.1635 1.3785 0.069 Uiso 1 1 calc R . .
C59 C 0.6870(3) 1.0659(3) 1.3000(3) 0.049 Uani 1 1 d GD B .
H59 H 0.6445 1.0604 1.3107 0.059 Uiso 1 1 calc R . .
C60 C 0.6845(3) 1.0126(3) 1.2440(3) 0.043 Uani 1 1 d GD B .
H60 H 0.6403 0.9707 1.2165 0.051 Uiso 1 1 calc R . .
C61 C 0.2440(3) 0.6222(3) 0.8443(3) 0.027 Uani 1 1 d G B .
C62 C 0.1980(3) 0.6531(3) 0.8811(3) 0.030 Uani 1 1 d G B .
C63 C 0.1291(3) 0.6558(4) 0.8454(4) 0.044 Uani 1 1 d G B .
H63 H 0.1057 0.6376 0.7943 0.053 Uiso 1 1 calc R . .
C64 C 0.0887(8) 0.6854(9) 0.8814(9) 0.052 Uani 1 1 d . . .
H64 H 0.0400 0.6862 0.8526 0.063 Uiso 1 1 calc R B .
C65 C 0.1156(8) 0.7122(7) 0.9537(8) 0.040 Uani 1 1 d . B .
H65 H 0.0880 0.7316 0.9764 0.048 Uiso 1 1 calc R . .
C66 C 0.1828(7) 0.7089(7) 0.9895(7) 0.035 Uani 1 1 d . . .
H66 H 0.2047 0.7254 1.0404 0.042 Uiso 1 1 calc R B .
C67 C 0.2242(7) 0.6815(7) 0.9541(7) 0.032 Uani 1 1 d . B .
H67 H 0.2740 0.6830 0.9837 0.038 Uiso 1 1 calc R . .
C68 C 0.2125(7) 0.5815(7) 0.7698(6) 0.036 Uani 1 1 d . . .
H68 H 0.1581 0.5685 0.7412 0.044 Uiso 1 1 calc R B .
C69 C 0.2552(8) 0.5580(7) 0.7334(6) 0.034 Uani 1 1 d D B .
C70 C 0.2109(8) 0.5168(7) 0.6505(7) 0.040 Uani 1 1 d . . .
C71 C 0.1552(9) 0.5368(9) 0.6195(7) 0.054 Uani 1 1 d . B .
H71 H 0.1414 0.5716 0.6446 0.065 Uiso 1 1 calc R . .
C72 C 0.1188(11) 0.5000(10) 0.5445(9) 0.071 Uani 1 1 d . . .
H72 H 0.0780 0.5118 0.5178 0.085 Uiso 1 1 calc R B .
C73 C 0.1364(11) 0.4450(11) 0.5022(8) 0.075 Uani 1 1 d . B .
H73 H 0.1070 0.4241 0.4512 0.090 Uiso 1 1 calc R . .
C74 C 0.1899(12) 0.4244(10) 0.5318(8) 0.071 Uani 1 1 d . . .
H74 H 0.2021 0.3887 0.5061 0.086 Uiso 1 1 calc R B .
C75 C 0.2276(10) 0.4606(8) 0.6058(7) 0.053 Uani 1 1 d . B .
H75 H 0.2688 0.4486 0.6315 0.063 Uiso 1 1 calc R . .
C76 C 0.4137(6) 0.3658(6) 0.6047(5) 0.024 Uani 1 1 d . B .
C77 C 0.3543(7) 0.3279(7) 0.5282(6) 0.030 Uani 1 1 d . . .
C78 C 0.3721(9) 0.3299(9) 0.4768(7) 0.053 Uani 1 1 d . . .
H78 H 0.4229 0.3563 0.4874 0.064 Uiso 1 1 calc R . .
C79 C 0.3136(10) 0.2919(11) 0.4066(8) 0.071 Uani 1 1 d . . .
H79 H 0.3255 0.2932 0.3688 0.085 Uiso 1 1 calc R . .
C80 C 0.2383(9) 0.2518(10) 0.3877(7) 0.066 Uani 1 1 d . . .
H80 H 0.2006 0.2264 0.3384 0.079 Uiso 1 1 calc R . .
C81 C 0.2200(9) 0.2495(9) 0.4388(8) 0.056 Uani 1 1 d . . .
H81 H 0.1693 0.2226 0.4279 0.067 Uiso 1 1 calc R . .
C82 C 0.2782(7) 0.2883(8) 0.5094(7) 0.040 Uani 1 1 d . . .
H82 H 0.2658 0.2880 0.5472 0.048 Uiso 1 1 calc R . .
C83 C 0.4911(7) 0.3767(6) 0.6199(6) 0.026 Uani 1 1 d . . .
H83 H 0.5015 0.3572 0.5810 0.031 Uiso 1 1 calc R B .
C84 C 0.5539(6) 0.4141(6) 0.6885(6) 0.022 Uani 1 1 d . B .
C85 C 0.6302(7) 0.4166(7) 0.6934(6) 0.028 Uani 1 1 d . . .
C86 C 0.6515(8) 0.4090(9) 0.6397(8) 0.052 Uani 1 1 d . B .
H86 H 0.6140 0.4038 0.5946 0.063 Uiso 1 1 calc R . .
C87 C 0.7225(9) 0.4083(13) 0.6457(9) 0.083 Uani 1 1 d . . .
H87 H 0.7330 0.4032 0.6060 0.099 Uiso 1 1 calc R B .
C88 C 0.7747(9) 0.4147(13) 0.7055(9) 0.085 Uani 1 1 d . B .
H88 H 0.8238 0.4127 0.7112 0.102 Uiso 1 1 calc R . .
C89 C 0.7558(8) 0.4244(10) 0.7596(8) 0.055 Uani 1 1 d . . .
H89 H 0.7942 0.4306 0.8047 0.066 Uiso 1 1 calc R B .
C90 C 0.6849(7) 0.4260(7) 0.7543(6) 0.033 Uani 1 1 d . B .
H90 H 0.6760 0.4339 0.7952 0.040 Uiso 1 1 calc R . .
C91 C 0.2893(7) 0.2201(6) 0.6227(6) 0.026 Uani 1 1 d . B .
C92 C 0.2014(3) 0.1713(3) 0.5763(3) 0.035 Uani 1 1 d G . .
C93 C 0.1689(4) 0.1123(4) 0.5124(4) 0.069 Uani 1 1 d G B .
H93 H 0.2009 0.0982 0.4922 0.082 Uiso 1 1 calc R . .
C94 C 0.0895(4) 0.0739(5) 0.4778(5) 0.085 Uani 1 1 d G B .
H94 H 0.0673 0.0335 0.4341 0.102 Uiso 1 1 calc R . .
C95 C 0.0427(3) 0.0945(5) 0.5073(6) 0.077 Uani 1 1 d G B .
H95 H -0.0115 0.0683 0.4837 0.092 Uiso 1 1 calc R . .
C96 C 0.0752(4) 0.1536(6) 0.5712(5) 0.074 Uani 1 1 d G B .
H96 H 0.0432 0.1677 0.5913 0.089 Uiso 1 1 calc R . .
C97 C 0.1545(4) 0.1920(5) 0.6057(4) 0.052 Uani 1 1 d G B .
H97 H 0.1767 0.2324 0.6495 0.062 Uiso 1 1 calc R . .
C98 C 0.3391(3) 0.1929(5) 0.5979(5) 0.029 Uani 1 1 d G B .
H98 H 0.3175 0.1524 0.5544 0.035 Uiso 1 1 calc R . .
C99 C 0.4199(7) 0.2270(6) 0.6390(6) 0.024 Uani 1 1 d . B .
C100 C 0.4683(7) 0.1885(6) 0.6104(6) 0.029 Uani 1 1 d D . .
C101 C 0.4385(8) 0.1173(7) 0.5490(7) 0.041 Uani 1 1 d D B .
H101 H 0.3840 0.0919 0.5238 0.049 Uiso 1 1 calc R . .
C102 C 0.4864(9) 0.0867(8) 0.5269(8) 0.047 Uani 1 1 d D . .
H102 H 0.4660 0.0430 0.4873 0.057 Uiso 1 1 calc R B .
C103 C 0.5657(9) 0.1255(8) 0.5678(8) 0.048 Uani 1 1 d D B .
H103 H 0.6012 0.1072 0.5569 0.058 Uiso 1 1 calc R . .
C104 C 0.5972(9) 0.1961(7) 0.6291(8) 0.044 Uani 1 1 d D . .
H104 H 0.6519 0.2205 0.6549 0.053 Uiso 1 1 calc R B .
C105 C 0.5483(7) 0.2278(7) 0.6500(6) 0.031 Uani 1 1 d D B .
H105 H 0.5687 0.2724 0.6881 0.038 Uiso 1 1 calc R . .
C106 C 0.4944(7) 0.1815(6) 0.7758(6) 0.025 Uani 1 1 d . . .
C107 C 0.4430(7) 0.1061(6) 0.7052(6) 0.030 Uani 1 1 d . . .
C108 C 0.4707(9) 0.0538(7) 0.6735(7) 0.044 Uani 1 1 d . . .
H108 H 0.5250 0.0636 0.6966 0.053 Uiso 1 1 calc R . .
C109 C 0.4205(10) -0.0146(8) 0.6071(8) 0.051 Uani 1 1 d . . .
H109 H 0.4430 -0.0462 0.5911 0.061 Uiso 1 1 calc R . .
C110 C 0.3440(10) -0.0289(8) 0.5719(8) 0.058 Uani 1 1 d . . .
H110 H 0.3101 -0.0700 0.5294 0.069 Uiso 1 1 calc R . .
C111 C 0.3161(9) 0.0229(8) 0.6034(7) 0.050 Uani 1 1 d . . .
H111 H 0.2618 0.0133 0.5794 0.059 Uiso 1 1 calc R . .
C112 C 0.3651(7) 0.0902(7) 0.6702(7) 0.035 Uani 1 1 d . . .
H112 H 0.3418 0.1206 0.6873 0.043 Uiso 1 1 calc R . .
C113 C 0.5741(7) 0.2138(6) 0.7964(6) 0.026 Uani 1 1 d . . .
H113 H 0.5945 0.1927 0.7666 0.031 Uiso 1 1 calc R . .
C114 C 0.6285(6) 0.2800(6) 0.8633(6) 0.022 Uani 1 1 d . . .
C115 C 0.7093(6) 0.3180(7) 0.8755(6) 0.029 Uani 1 1 d . . .
C116 C 0.7434(7) 0.2785(8) 0.8361(7) 0.037 Uani 1 1 d . . .
H116 H 0.7171 0.2310 0.8036 0.045 Uiso 1 1 calc R . .
C117 C 0.8187(8) 0.3175(9) 0.8509(7) 0.045 Uani 1 1 d . . .
H117 H 0.8447 0.2958 0.8276 0.055 Uiso 1 1 calc R . .
C118 C 0.8593(7) 0.3939(8) 0.9036(7) 0.043 Uani 1 1 d . . .
H118 H 0.9099 0.4176 0.9116 0.052 Uiso 1 1 calc R . .
C119 C 0.8256(7) 0.4325(8) 0.9422(7) 0.039 Uani 1 1 d . . .
H119 H 0.8521 0.4801 0.9743 0.047 Uiso 1 1 calc R . .
C120 C 0.7509(7) 0.3945(7) 0.9285(6) 0.032 Uani 1 1 d . . .
H120 H 0.7257 0.4166 0.9526 0.039 Uiso 1 1 calc R . .
C121 C 0.1402(6) 0.3631(6) 0.8109(5) 0.022 Uani 1 1 d . . .
C122 C 0.0791(6) 0.3923(6) 0.8120(6) 0.021 Uani 1 1 d . . .
C123 C -0.0005(7) 0.3456(7) 0.7729(6) 0.031 Uani 1 1 d . . .
H123 H -0.0156 0.2978 0.7446 0.037 Uiso 1 1 calc R . .
C124 C -0.0542(7) 0.3763(7) 0.7797(7) 0.034 Uani 1 1 d . . .
H124 H -0.1080 0.3483 0.7554 0.041 Uiso 1 1 calc R . .
C125 C -0.0283(7) 0.4542(7) 0.8257(7) 0.034 Uani 1 1 d . . .
H125 H -0.0675 0.4718 0.8279 0.041 Uiso 1 1 calc R . .
C126 C 0.0493(7) 0.5008(7) 0.8645(7) 0.033 Uani 1 1 d . . .
H126 H 0.0641 0.5485 0.8931 0.039 Uiso 1 1 calc R . .
C127 C 0.1031(7) 0.4700(6) 0.8571(6) 0.029 Uani 1 1 d . . .
H127 H 0.1566 0.4985 0.8809 0.034 Uiso 1 1 calc R . .
C128 C 0.1226(6) 0.2859(6) 0.7834(6) 0.023 Uani 1 1 d . . .
H128 H 0.0694 0.2560 0.7574 0.028 Uiso 1 1 calc R . .
C129 C 0.1767(6) 0.2565(6) 0.7932(6) 0.022 Uani 1 1 d . . .
C130 C 0.1481(7) 0.1725(6) 0.7587(6) 0.030 Uani 1 1 d . . .
C131 C 0.1867(8) 0.1338(7) 0.7259(7) 0.036 Uani 1 1 d . . .
H131 H 0.2320 0.1594 0.7262 0.043 Uiso 1 1 calc R . .
C132 C 0.1597(9) 0.0559(7) 0.6914(8) 0.048 Uani 1 1 d . . .
H132 H 0.1873 0.0340 0.6706 0.057 Uiso 1 1 calc R . .
C133 C 0.0948(9) 0.0171(7) 0.6905(8) 0.053 Uani 1 1 d . . .
H133 H 0.0759 -0.0319 0.6689 0.064 Uiso 1 1 calc R . .
C134 C 0.0567(9) 0.0543(8) 0.7239(9) 0.059 Uani 1 1 d . . .
H134 H 0.0124 0.0283 0.7248 0.071 Uiso 1 1 calc R . .
C135 C 0.0827(8) 0.1317(8) 0.7574(8) 0.046 Uani 1 1 d . . .
H135 H 0.0544 0.1529 0.7779 0.055 Uiso 1 1 calc R . .
C136 C 0.7685(6) 0.6558(6) 0.9988(6) 0.023 Uani 1 1 d . . .
C137 C 0.8414(6) 0.6472(6) 0.9959(6) 0.023 Uani 1 1 d . . .
C138 C 0.8517(7) 0.6288(7) 0.9352(7) 0.033 Uani 1 1 d . B .
H138 H 0.8109 0.6225 0.8914 0.040 Uiso 1 1 calc R . .
C139 C 0.9180(8) 0.6189(8) 0.9339(7) 0.041 Uani 1 1 d . . .
H139 H 0.9218 0.6069 0.8903 0.049 Uiso 1 1 calc R B .
C140 C 0.9737(7) 0.6259(8) 0.9913(8) 0.040 Uani 1 1 d . B .
H140 H 1.0199 0.6194 0.9926 0.048 Uiso 1 1 calc R . .
C141 C 0.9619(8) 0.6434(8) 1.0507(8) 0.045 Uani 1 1 d . . .
H141 H 1.0024 0.6490 1.0943 0.054 Uiso 1 1 calc R B .
C142 C 0.8964(7) 0.6537(7) 1.0531(7) 0.036 Uani 1 1 d . B .
H142 H 0.8927 0.6654 1.0968 0.044 Uiso 1 1 calc R . .
C143 C 0.2916(6) 0.4208(6) 1.0281(5) 0.019 Uani 1 1 d . . .
C144 C 0.4679(5) 0.4743(5) 1.0391(5) 0.014 Uani 1 1 d . . .
C145 C 0.0754(15) 0.3579(15) 0.6380(14) 0.114 Uani 1 1 d . . .
H14A H 0.0596 0.3181 0.6481 0.171 Uiso 1 1 calc R . .
H14B H 0.1195 0.3955 0.6817 0.171 Uiso 1 1 calc R . .
H14C H 0.0908 0.3447 0.5997 0.171 Uiso 1 1 calc R . .
C146 C 0.0116(13) 0.3803(11) 0.6151(10) 0.086 Uani 1 1 d D . .
C147 C -0.0019(13) 0.4321(12) 0.6635(11) 0.093 Uani 1 1 d D . .
H147 H 0.0343 0.4526 0.7133 0.111 Uiso 1 1 calc R . .
C148 C -0.0615(15) 0.4533(15) 0.6432(14) 0.124 Uani 1 1 d D . .
H148 H -0.0700 0.4875 0.6752 0.149 Uiso 1 1 calc R . .
C149 C -0.1092(15) 0.4189(16) 0.5694(14) 0.136 Uani 1 1 d D . .
H149 H -0.1539 0.4298 0.5497 0.163 Uiso 1 1 calc R . .
C150 C -0.0962(17) 0.3680(16) 0.5205(14) 0.139 Uani 1 1 d D . .
H150 H -0.1322 0.3481 0.4707 0.167 Uiso 1 1 calc R . .
C151 C -0.0354(15) 0.3461(13) 0.5409(11) 0.111 Uani 1 1 d D . .
H151 H -0.0266 0.3122 0.5089 0.133 Uiso 1 1 calc R . .
C152 C 1.059(2) 0.6747(17) 0.651(2) 0.171 Uani 1 1 d . . .
H15A H 1.0786 0.6839 0.6182 0.257 Uiso 1 1 calc R . .
H15B H 1.0090 0.6358 0.6224 0.257 Uiso 1 1 calc R . .
H15C H 1.0965 0.6632 0.6847 0.257 Uiso 1 1 calc R . .
C153 C 1.0486(12) 0.7369(11) 0.6912(14) 0.105 Uani 1 1 d D . .
C154 C 0.9988(10) 0.7612(11) 0.6559(11) 0.092 Uani 1 1 d D . .
H154 H 0.9719 0.7395 0.6047 0.110 Uiso 1 1 calc R . .
C155 C 0.9847(12) 0.8214(11) 0.6950(14) 0.117 Uani 1 1 d D . .
H155 H 0.9482 0.8346 0.6648 0.140 Uiso 1 1 calc R . .
C156 C 1.0139(12) 0.8596(11) 0.7642(14) 0.111 Uani 1 1 d D . .
H156 H 1.0019 0.8977 0.7858 0.133 Uiso 1 1 calc R . .
C157 C 1.0655(13) 0.8336(11) 0.7998(14) 0.110 Uani 1 1 d D . .
H157 H 1.0915 0.8564 0.8510 0.132 Uiso 1 1 calc R . .
C158 C 1.0839(13) 0.7768(12) 0.7685(14) 0.116 Uani 1 1 d D . .
H158 H 1.1206 0.7644 0.7994 0.140 Uiso 1 1 calc R . .
C159 C 0.556(2) 0.8321(14) 0.634(2) 0.238 Uiso 1 1 d D . .
H159 H 0.6100 0.8506 0.6682 0.286 Uiso 1 1 calc R . .
C160 C 0.5338(17) 0.8049(12) 0.5619(17) 0.138 Uiso 1 1 d D . .
H160 H 0.5697 0.8032 0.5430 0.165 Uiso 1 1 calc R . .
C161 C 0.4563(13) 0.7806(9) 0.5198(13) 0.093 Uiso 1 1 d D . .
H161 H 0.4394 0.7615 0.4694 0.111 Uiso 1 1 calc R . .
C162 C 0.3969(15) 0.7795(10) 0.5401(14) 0.114 Uiso 1 1 d D . .
H162 H 0.3437 0.7608 0.5053 0.137 Uiso 1 1 calc R . .
C163 C 0.4194(18) 0.8066(12) 0.6123(16) 0.132 Uiso 1 1 d D . .
H163 H 0.3828 0.8078 0.6304 0.159 Uiso 1 1 calc R . .
C164 C 0.499(2) 0.8325(13) 0.6578(19) 0.180 Uiso 1 1 d D . .
H164 H 0.5162 0.8517 0.7082 0.217 Uiso 1 1 calc R . .
C165 C 0.833(3) 1.052(2) 0.800(3) 0.160 Uiso 0.65 1 d PD C 1
H165 H 0.8679 1.0855 0.8483 0.191 Uiso 0.65 1 calc PR C 1
C166 C 0.757(3) 1.051(2) 0.771(3) 0.175 Uiso 0.65 1 d PD C 1
H166 H 0.7377 1.0819 0.7952 0.210 Uiso 0.65 1 calc PR C 1
C167 C 0.714(3) 0.999(2) 0.702(3) 0.161 Uiso 0.65 1 d PD C 1
H167 H 0.6611 0.9934 0.6755 0.194 Uiso 0.65 1 calc PR C 1
C168 C 0.744(2) 0.953(2) 0.665(2) 0.145 Uiso 0.65 1 d PD C 1
H168 H 0.7090 0.9192 0.6176 0.174 Uiso 0.65 1 calc PR C 1
C169 C 0.826(2) 0.9548(17) 0.6982(19) 0.099 Uiso 0.65 1 d PD C 1
H169 H 0.8468 0.9253 0.6761 0.118 Uiso 0.65 1 calc PR C 1
C170 C 0.864(3) 1.008(2) 0.767(2) 0.144 Uiso 0.65 1 d PD C 1
H170 H 0.9169 1.0151 0.7945 0.173 Uiso 0.65 1 calc PR C 1
C174 C 0.1946(14) -0.1329(14) 0.3488(14) 0.173 Uani 1 1 d D . .
H174 H 0.2172 -0.1199 0.3212 0.208 Uiso 1 1 calc R . .
C175 C 0.2022(9) -0.1874(11) 0.3662(11) 0.114 Uani 1 1 d D . .
H175 H 0.2304 -0.2129 0.3505 0.137 Uiso 1 1 calc R . .
C176 C 0.1685(10) -0.2044(12) 0.4065(11) 0.119 Uani 1 1 d D . .
H176 H 0.1739 -0.2420 0.4182 0.143 Uiso 1 1 calc R . .
C177 C 0.1266(11) -0.1678(12) 0.4307(12) 0.113 Uani 1 1 d D . .
H177 H 0.1041 -0.1805 0.4585 0.136 Uiso 1 1 calc R . .
C178 C 0.1184(12) -0.1140(13) 0.4140(13) 0.128 Uani 1 1 d D . .
H178 H 0.0901 -0.0889 0.4302 0.154 Uiso 1 1 calc R . .
C179 C 0.1507(14) -0.0962(13) 0.3742(15) 0.159 Uani 1 1 d D . .
H179 H 0.1445 -0.0586 0.3628 0.191 Uiso 1 1 calc R . .
C181 C 0.818(3) 1.112(2) 0.846(3) 0.061 Uiso 0.35 1 d PD C 2
H181 H 0.7875 1.1146 0.8712 0.073 Uiso 0.35 1 calc PR C 2
C182 C 0.864(3) 1.173(2) 0.853(2) 0.057 Uiso 0.35 1 d PD C 2
H182 H 0.8682 1.2177 0.8819 0.069 Uiso 0.35 1 calc PR C 2
C183 C 0.904(3) 1.161(2) 0.813(2) 0.052 Uiso 0.35 1 d PD C 2
H183 H 0.9369 1.1992 0.8135 0.062 Uiso 0.35 1 calc PR C 2
C184 C 0.898(3) 1.0941(18) 0.771(2) 0.054 Uiso 0.35 1 d PD C 2
H184 H 0.9279 1.0917 0.7458 0.065 Uiso 0.35 1 calc PR C 2
C185 C 0.853(2) 1.032(2) 0.765(2) 0.044 Uiso 0.35 1 d PD C 2
H185 H 0.8490 0.9872 0.7371 0.053 Uiso 0.35 1 calc PR C 2
C187 C 0.813(4) 1.046(3) 0.805(3) 0.080 Uiso 0.35 1 d PD C 2
H187 H 0.7792 1.0071 0.8043 0.096 Uiso 0.35 1 calc PR C 2
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
O31 La1 O1 132.5(2) . . ?
O31 La1 O23 87.4(2) . . ?
O1 La1 O23 131.6(2) . . ?
O31 La1 O5 76.0(2) . 2_667 ?
O1 La1 O5 132.1(2) . 2_667 ?
O23 La1 O5 75.3(2) . 2_667 ?
O31 La1 O2 152.9(2) . . ?
O1 La1 O2 72.8(2) . . ?
O23 La1 O2 65.6(2) . . ?
O5 La1 O2 93.3(2) 2_667 . ?
O31 La1 O22 88.4(3) . . ?
O1 La1 O22 85.0(2) . . ?
O23 La1 O22 67.5(2) . . ?
O5 La1 O22 140.2(2) 2_667 . ?
O2 La1 O22 84.1(2) . . ?
O31 La1 O27 122.1(2) . 2_667 ?
O1 La1 O27 80.1(2) . 2_667 ?
O23 La1 O27 102.6(2) . 2_667 ?
O5 La1 O27 53.2(2) 2_667 2_667 ?
O2 La1 O27 64.8(2) . 2_667 ?
O22 La1 O27 148.3(2) . 2_667 ?
O31 La1 O28 84.2(2) . . ?
O1 La1 O28 70.0(2) . . ?
O23 La1 O28 153.4(2) . . ?
O5 La1 O28 78.1(2) 2_667 . ?
O2 La1 O28 118.4(2) . . ?
O22 La1 O28 137.2(2) . . ?
O27 La1 O28 61.8(2) 2_667 . ?
O31 La1 O32 66.4(2) . . ?
O1 La1 O32 67.3(2) . . ?
O23 La1 O32 129.7(2) . . ?
O5 La1 O32 131.5(2) 2_667 . ?
O2 La1 O32 133.3(2) . . ?
O22 La1 O32 69.6(2) . . ?
O27 La1 O32 127.7(2) 2_667 . ?
O28 La1 O32 68.9(2) . . ?
O31 La1 La6 46.5(2) . 2_667 ?
O1 La1 La6 130.36(18) . 2_667 ?
O23 La1 La6 96.00(17) . 2_667 ?
O5 La1 La6 36.62(14) 2_667 2_667 ?
O2 La1 La6 129.72(16) . 2_667 ?
O22 La1 La6 133.70(15) . 2_667 ?
O27 La1 La6 75.68(14) 2_667 2_667 ?
O28 La1 La6 60.37(13) . 2_667 ?
O32 La1 La6 95.13(15) . 2_667 ?
O31 La1 La3 164.84(19) . . ?
O1 La1 La3 32.93(16) . . ?
O23 La1 La3 103.23(16) . . ?
O5 La1 La3 116.80(14) 2_667 . ?
O2 La1 La3 40.01(15) . . ?
O22 La1 La3 85.84(15) . . ?
O27 La1 La3 66.57(14) 2_667 . ?
O28 La1 La3 90.50(13) . . ?
O32 La1 La3 98.47(14) . . ?
La6 La1 La3 140.41(3) 2_667 . ?
O31 La1 La2 113.56(19) . . ?
O1 La1 La2 37.44(18) . . ?
O23 La1 La2 157.47(17) . . ?
O5 La1 La2 100.93(16) 2_667 . ?
O2 La1 La2 92.76(15) . . ?
O22 La1 La2 118.80(16) . . ?
O27 La1 La2 59.98(14) 2_667 . ?
O28 La1 La2 33.65(13) . . ?
O32 La1 La2 69.52(15) . . ?
La6 La1 La2 93.23(4) 2_667 . ?
La3 La1 La2 58.04(2) . . ?
O3 La2 O24 79.5(2) . . ?
O3 La2 O28 133.9(2) . . ?
O24 La2 O28 141.1(2) . . ?
O3 La2 O29 146.0(2) . . ?
O24 La2 O29 70.3(2) . . ?
O28 La2 O29 80.0(2) . . ?
O3 La2 O27 121.0(2) . . ?
O24 La2 O27 131.8(2) . . ?
O28 La2 O27 55.5(2) . . ?
O29 La2 O27 72.5(2) . . ?
O3 La2 O5 81.8(2) . . ?
O24 La2 O5 92.8(2) . . ?
O28 La2 O5 109.1(2) . . ?
O29 La2 O5 84.3(2) . . ?
O27 La2 O5 53.76(19) . . ?
O3 La2 O1 71.8(2) . . ?
O24 La2 O1 117.3(2) . . ?
O28 La2 O1 69.3(2) . . ?
O29 La2 O1 136.3(2) . . ?
O27 La2 O1 110.7(2) . . ?
O5 La2 O1 134.3(2) . . ?
O3 La2 O25 97.0(2) . . ?
O24 La2 O25 67.4(2) . . ?
O28 La2 O25 86.3(2) . . ?
O29 La2 O25 85.8(2) . . ?
O27 La2 O25 138.2(2) . . ?
O5 La2 O25 159.9(2) . . ?
O1 La2 O25 62.6(2) . . ?
O3 La2 O4 59.8(2) . . ?
O24 La2 O4 135.4(2) . . ?
O28 La2 O4 83.5(2) . . ?
O29 La2 O4 138.6(2) . . ?
O27 La2 O4 66.8(2) . . ?
O5 La2 O4 65.7(2) . . ?
O1 La2 O4 68.8(2) . . ?
O25 La2 O4 130.8(2) . . ?
O3 La2 C144 132.2(3) . . ?
O24 La2 C144 144.5(3) . . ?
O28 La2 C144 30.0(3) . . ?
O29 La2 C144 74.5(2) . . ?
O27 La2 C144 25.6(2) . . ?
O5 La2 C144 79.2(2) . . ?
O1 La2 C144 91.4(2) . . ?
O25 La2 C144 114.8(2) . . ?
O4 La2 C144 72.3(2) . . ?
O3 La2 La6 47.5(2) . . ?
O24 La2 La6 96.90(17) . . ?
O28 La2 La6 120.05(16) . . ?
O29 La2 La6 120.23(18) . . ?
O27 La2 La6 76.56(14) . . ?
O5 La2 La6 36.83(14) . . ?
O1 La2 La6 102.13(14) . . ?
O25 La2 La6 144.25(14) . . ?
O4 La2 La6 42.52(14) . . ?
C144 La2 La6 96.76(19) . . ?
O3 La2 La3 39.34(18) . . ?
O24 La2 La3 110.55(18) . . ?
O28 La2 La3 95.47(16) . . ?
O29 La2 La3 171.82(18) . . ?
O27 La2 La3 110.62(15) . . ?
O5 La2 La3 103.67(14) . . ?
O1 La2 La3 35.70(13) . . ?
O25 La2 La3 87.13(16) . . ?
O4 La2 La3 46.55(15) . . ?
C144 La2 La3 104.93(18) . . ?
La6 La2 La3 67.94(3) . . ?
O18 La3 O1 141.7(3) . . ?
O18 La3 O2 125.0(3) . . ?
O1 La3 O2 74.9(2) . . ?
O18 La3 O3 103.0(2) . . ?
O1 La3 O3 73.0(2) . . ?
O2 La3 O3 130.9(2) . . ?
O18 La3 O20 71.7(3) . . ?
O1 La3 O20 70.1(2) . . ?
O2 La3 O20 114.8(2) . . ?
O3 La3 O20 87.5(2) . . ?
O18 La3 O19 70.0(2) . . ?
O1 La3 O19 139.1(2) . . ?
O2 La3 O19 64.2(2) . . ?
O3 La3 O19 135.6(2) . . ?
O20 La3 O19 127.2(2) . . ?
O18 La3 O6 81.0(3) . . ?
O1 La3 O6 128.1(2) . . ?
O2 La3 O6 106.5(2) . . ?
O3 La3 O6 68.3(2) . . ?
O20 La3 O6 138.3(2) . . ?
O19 La3 O6 67.4(2) . . ?
O18 La3 O21 74.1(3) . . ?
O1 La3 O21 90.4(2) . . ?
O2 La3 O21 65.0(2) . . ?
O3 La3 O21 149.3(2) . . ?
O20 La3 O21 62.3(2) . . ?
O19 La3 O21 73.1(2) . . ?
O6 La3 O21 138.5(2) . . ?
O18 La3 O4 137.3(2) . . ?
O1 La3 O4 72.7(2) . . ?
O2 La3 O4 79.7(2) . . ?
O3 La3 O4 55.8(2) . . ?
O20 La3 O4 133.9(2) . . ?
O19 La3 O4 98.8(2) . . ?
O6 La3 O4 57.30(19) . . ?
O21 La3 O4 144.0(2) . . ?
O18 La3 La1 152.8(2) . . ?
O1 La3 La1 32.68(16) . . ?
O2 La3 La1 42.40(15) . . ?
O3 La3 La1 97.72(14) . . ?
O20 La3 La1 91.88(16) . . ?
O19 La3 La1 106.53(14) . . ?
O6 La3 La1 123.58(15) . . ?
O21 La3 La1 79.10(15) . . ?
O4 La3 La1 69.53(13) . . ?
O18 La3 La2 134.5(2) . . ?
O1 La3 La2 42.59(18) . . ?
O2 La3 La2 100.46(15) . . ?
O3 La3 La2 33.65(14) . . ?
O20 La3 La2 88.80(17) . . ?
O19 La3 La2 143.88(16) . . ?
O6 La3 La2 88.46(15) . . ?
O21 La3 La2 132.42(15) . . ?
O4 La3 La2 45.12(13) . . ?
La1 La3 La2 64.07(2) . . ?
O9 La4 O30 144.2(3) . 2_667 ?
O9 La4 O8 71.5(3) . . ?
O30 La4 O8 101.4(3) 2_667 . ?
O9 La4 O6 68.6(3) . . ?
O30 La4 O6 99.3(2) 2_667 . ?
O8 La4 O6 135.4(3) . . ?
O9 La4 O7 120.1(3) . . ?
O30 La4 O7 85.7(2) 2_667 . ?
O8 La4 O7 146.3(3) . . ?
O6 La4 O7 74.0(2) . . ?
O9 La4 O26 138.8(3) . . ?
O30 La4 O26 69.2(2) 2_667 . ?
O8 La4 O26 79.5(3) . . ?
O6 La4 O26 145.1(2) . . ?
O7 La4 O26 72.4(2) . . ?
O9 La4 O10 89.1(3) . . ?
O30 La4 O10 126.6(3) 2_667 . ?
O8 La4 O10 91.2(3) . . ?
O6 La4 O10 107.1(2) . . ?
O7 La4 O10 59.6(2) . . ?
O26 La4 O10 62.5(2) . . ?
O9 La4 O19 74.1(3) . . ?
O30 La4 O19 70.3(2) 2_667 . ?
O8 La4 O19 85.6(3) . . ?
O6 La4 O19 65.2(2) . . ?
O7 La4 O19 127.3(2) . . ?
O26 La4 O19 132.7(2) . . ?
O10 La4 O19 163.1(2) . . ?
O9 La4 C143 164.2(3) . 2_667 ?
O30 La4 C143 22.3(3) 2_667 2_667 ?
O8 La4 C143 100.0(3) . 2_667 ?
O6 La4 C143 113.4(2) . 2_667 ?
O7 La4 C143 74.4(2) . 2_667 ?
O26 La4 C143 47.7(2) . 2_667 ?
O10 La4 C143 104.6(3) . 2_667 ?
O19 La4 C143 92.3(2) . 2_667 ?
O9 La4 La6 90.5(2) . . ?
O30 La4 La6 98.73(18) 2_667 . ?
O8 La4 La6 159.7(2) . . ?
O6 La4 La6 36.50(17) . . ?
O7 La4 La6 38.17(17) . . ?
O26 La4 La6 110.54(17) . . ?
O10 La4 La6 78.89(18) . . ?
O19 La4 La6 98.78(15) . . ?
C143 La4 La6 99.68(18) 2_667 . ?
O12 La5 O31 137.8(3) . 2_667 ?
O12 La5 O14 76.4(3) . . ?
O31 La5 O14 141.3(2) 2_667 . ?
O12 La5 O13 68.3(3) . . ?
O31 La5 O13 70.9(3) 2_667 . ?
O14 La5 O13 129.1(3) . . ?
O12 La5 O11 98.8(3) . . ?
O31 La5 O11 67.6(2) 2_667 . ?
O14 La5 O11 136.2(3) . . ?
O13 La5 O11 85.8(3) . . ?
O12 La5 O15 72.5(3) . . ?
O31 La5 O15 100.6(2) 2_667 . ?
O14 La5 O15 68.8(3) . . ?
O13 La5 O15 66.3(3) . . ?
O11 La5 O15 152.1(3) . . ?
O12 La5 O7 141.0(3) . . ?
O31 La5 O7 68.8(2) 2_667 . ?
O14 La5 O7 95.2(2) . . ?
O13 La5 O7 135.1(3) . . ?
O11 La5 O7 61.1(2) . . ?
O15 La5 O7 140.3(2) . . ?
O12 La5 O32 133.2(3) . 2_667 ?
O31 La5 O32 64.6(2) 2_667 2_667 ?
O14 La5 O32 78.2(2) . 2_667 ?
O13 La5 O32 100.2(2) . 2_667 ?
O11 La5 O32 126.4(2) . 2_667 ?
O15 La5 O32 61.8(2) . 2_667 ?
O7 La5 O32 79.7(2) . 2_667 ?
O12 La5 O10 83.4(3) . . ?
O31 La5 O10 119.5(2) 2_667 . ?
O14 La5 O10 73.3(3) . . ?
O13 La5 O10 134.0(2) . . ?
O11 La5 O10 62.9(3) . . ?
O15 La5 O10 138.7(2) . . ?
O7 La5 O10 57.9(2) . . ?
O32 La5 O10 125.2(2) 2_667 . ?
O12 La5 La6 135.5(2) . . ?
O31 La5 La6 41.80(18) 2_667 . ?
O14 La5 La6 133.17(19) . . ?
O13 La5 La6 97.4(2) . . ?
O11 La5 La6 36.83(15) . . ?
O15 La5 La6 141.95(16) . . ?
O7 La5 La6 37.98(15) . . ?
O32 La5 La6 89.86(16) 2_667 . ?
O10 La5 La6 77.75(18) . . ?
O17 La6 O5 117.3(3) . . ?
O17 La6 O16 74.6(3) . . ?
O5 La6 O16 65.3(2) . . ?
O17 La6 O6 73.7(3) . . ?
O5 La6 O6 131.1(2) . . ?
O16 La6 O6 148.3(2) . . ?
O17 La6 O11 90.2(3) . . ?
O5 La6 O11 132.2(3) . . ?
O16 La6 O11 88.3(3) . . ?
O6 La6 O11 92.4(2) . . ?
O17 La6 O4 116.4(3) . . ?
O5 La6 O4 73.0(2) . . ?
O16 La6 O4 136.5(2) . . ?
O6 La6 O4 60.9(2) . . ?
O11 La6 O4 130.9(2) . . ?
O17 La6 O7 132.2(2) . . ?
O5 La6 O7 110.0(2) . . ?
O16 La6 O7 135.2(3) . . ?
O6 La6 O7 70.4(2) . . ?
O11 La6 O7 61.3(2) . . ?
O4 La6 O7 70.7(2) . . ?
O17 La6 O31 137.8(3) . 2_667 ?
O5 La6 O31 71.3(2) . 2_667 ?
O16 La6 O31 72.9(2) . 2_667 ?
O6 La6 O31 134.5(2) . 2_667 ?
O11 La6 O31 62.8(2) . 2_667 ?
O4 La6 O31 105.7(2) . 2_667 ?
O7 La6 O31 64.2(2) . 2_667 ?
O17 La6 O3 66.5(3) . . ?
O5 La6 O3 76.5(2) . . ?
O16 La6 O3 101.5(2) . . ?
O6 La6 O3 64.8(2) . . ?
O11 La6 O3 150.6(2) . . ?
O4 La6 O3 55.3(2) . . ?
O7 La6 O3 121.3(2) . . ?
O31 La6 O3 146.60(18) 2_667 . ?
O17 La6 La2 96.8(2) . . ?
O5 La6 La2 43.10(18) . . ?
O16 La6 La2 92.79(18) . . ?
O6 La6 La2 90.30(15) . . ?
O11 La6 La2 172.97(17) . . ?
O4 La6 La2 45.89(15) . . ?
O7 La6 La2 113.69(15) . . ?
O31 La6 La2 110.96(13) 2_667 . ?
O3 La6 La2 35.66(13) . . ?
O17 La6 La1 154.4(2) . 2_667 ?
O5 La6 La1 42.34(17) . 2_667 ?
O16 La6 La1 81.05(17) . 2_667 ?
O6 La6 La1 130.14(15) . 2_667 ?
O11 La6 La1 97.13(18) . 2_667 ?
O4 La6 La1 76.57(15) . 2_667 ?
O7 La6 La1 71.91(15) . 2_667 ?
O31 La6 La1 35.49(13) 2_667 2_667 ?
O3 La6 La1 111.67(13) . 2_667 ?
La2 La6 La1 76.20(4) . 2_667 ?
O17 La6 La4 100.4(2) . . ?
O5 La6 La4 132.83(16) . . ?
O16 La6 La4 158.17(18) . . ?
O6 La6 La4 34.78(17) . . ?
O11 La6 La4 70.27(19) . . ?
O4 La6 La4 64.99(14) . . ?
O7 La6 La4 36.31(16) . . ?
O31 La6 La4 99.76(15) 2_667 . ?
O3 La6 La4 95.63(15) . . ?
La2 La6 La4 108.98(3) . . ?
La1 La6 La4 105.18(4) 2_667 . ?
La1 O1 La3 114.4(3) . . ?
La1 O1 La2 111.2(3) . . ?
La3 O1 La2 101.7(2) . . ?
La3 O2 La1 97.6(2) . . ?
La2 O3 La3 107.0(3) . . ?
La2 O3 La6 96.8(3) . . ?
La3 O3 La6 105.3(2) . . ?
C144 O4 La6 118.4(6) 2_667 . ?
C144 O4 La2 111.3(5) 2_667 . ?
La6 O4 La2 91.6(2) . . ?
C144 O4 La3 130.3(6) 2_667 . ?
La6 O4 La3 105.6(2) . . ?
La2 O4 La3 88.3(2) . . ?
La6 O5 La1 101.0(2) . 2_667 ?
La6 O5 La2 100.1(3) . . ?
La1 O5 La2 126.8(2) 2_667 . ?
La4 O6 La6 108.7(3) . . ?
La4 O6 La3 113.7(3) . . ?
La6 O6 La3 113.2(2) . . ?
La4 O7 La6 105.5(3) . . ?
La4 O7 La5 126.0(3) . . ?
La6 O7 La5 103.7(3) . . ?
C1 O8 La4 139.2(9) . . ?
C9 O9 La4 134.5(9) . . ?
C16 O10 La4 123.3(8) . . ?
C16 O10 La5 111.0(8) . . ?
La4 O10 La5 115.7(2) . . ?
C24 O11 La5 114.7(8) . . ?
C24 O11 La6 137.2(9) . . ?
La5 O11 La6 106.4(2) . . ?
C31 O12 La5 135.3(7) . . ?
C39 O13 La5 133.4(8) . . ?
C46 O14 La5 123.5(7) . . ?
C54 O15 La5 135.0(7) . . ?
C61 O16 La6 133.0(6) . . ?
C69 O17 La6 131.9(8) . . ?
C76 O18 La3 133.9(6) . . ?
C84 O19 La3 122.1(6) . . ?
C84 O19 La4 129.0(6) . . ?
La3 O19 La4 101.2(2) . . ?
C91 O20 La3 138.5(7) . . ?
C99 O21 La3 140.7(6) . . ?
C106 O22 La1 138.0(7) . . ?
C114 O23 La1 134.1(6) . . ?
C121 O24 La2 140.1(6) . . ?
C129 O25 La2 137.0(7) . . ?
C136 O26 La4 116.2(7) . . ?
C144 O27 La2 87.0(6) . . ?
C144 O27 La1 145.1(6) . 2_667 ?
La2 O27 La1 125.4(2) . 2_667 ?
C144 O28 La2 92.8(5) . . ?
C144 O28 La1 122.2(5) . . ?
La2 O28 La1 107.4(2) . . ?
C143 O29 La2 133.3(7) . . ?
C143 O30 La4 114.8(6) . 2_667 ?
La1 O31 La5 126.1(3) . 2_667 ?
La1 O31 La6 98.0(3) . 2_667 ?
La5 O31 La6 102.3(2) 2_667 2_667 ?
La5 O32 La1 101.3(2) 2_667 . ?
O8 C1 C8 119.0(13) . . ?
O8 C1 C2 117.7(13) . . ?
C8 C1 C2 123.3(12) . . ?
C3 C2 C3' 45.4(19) . . ?
C3 C2 C7' 85(2) . . ?
C3' C2 C7' 122(2) . . ?
C3 C2 C7 108.2(17) . . ?
C3' C2 C7 93.5(18) . . ?
C7' C2 C7 72.6(18) . . ?
C3 C2 C1 131.1(17) . . ?
C3' C2 C1 121.0(18) . . ?
C7' C2 C1 113.8(15) . . ?
C7 C2 C1 120.2(13) . . ?
C2 C3 C4 128(2) . . ?
C2 C3 H3 115.9 . . ?
C4 C3 H3 115.9 . . ?
C2 C3' C4' 117(3) . . ?
C2 C3' H3' 121.7 . . ?
C4' C3' H3' 121.7 . . ?
C5 C4 C3 122(2) . . ?
C5 C4 H4 118.9 . . ?
C3 C4 H4 118.9 . . ?
C5' C4' C3' 120(3) . . ?
C5' C4' H4' 120.2 . . ?
C3' C4' H4' 120.2 . . ?
C6 C5 C4 114(2) . . ?
C6 C5 H5 122.8 . . ?
C4 C5 H5 122.8 . . ?
C4' C5' C6' 123(3) . . ?
C4' C5' H5' 118.3 . . ?
C6' C5' H5' 118.3 . . ?
C5 C6 C7 122(2) . . ?
C5 C6 H6 119.0 . . ?
C7 C6 H6 119.0 . . ?
C7' C6' C5' 117(3) . . ?
C7' C6' H6' 121.6 . . ?
C5' C6' H6' 121.6 . . ?
C6 C7 C2 124.8(19) . . ?
C6 C7 H7 117.6 . . ?
C2 C7 H7 117.6 . . ?
C6' C7' C2 120(3) . . ?
C6' C7' H7' 120.2 . . ?
C2 C7' H7' 120.2 . . ?
C1 C8 C9 128.2(12) . . ?
C1 C8 H8 115.9 . . ?
C9 C8 H8 115.9 . . ?
O9 C9 C10 110.7(13) . . ?
O9 C9 C8 127.1(13) . . ?
C10 C9 C8 122.2(11) . . ?
C15' C10 C15 38(2) . . ?
C15' C10 C9 122.6(15) . . ?
C15 C10 C9 120.7(15) . . ?
C15' C10 C11' 124.5(19) . . ?
C15 C10 C11' 100.8(19) . . ?
C9 C10 C11' 109.8(15) . . ?
C15' C10 C11 96(2) . . ?
C15 C10 C11 121.5(19) . . ?
C9 C10 C11 114.7(16) . . ?
C11' C10 C11 76.2(16) . . ?
C12 C11 C10 115(2) . . ?
C12 C11 H11 122.5 . . ?
C10 C11 H11 122.5 . . ?
C12' C11' C10 112(2) . . ?
C12' C11' H11' 124.2 . . ?
C10 C11' H11' 124.2 . . ?
C11 C12 C13 118(3) . . ?
C11 C12 H12 121.2 . . ?
C13 C12 H12 121.2 . . ?
C11' C12' C13' 124(2) . . ?
C11' C12' H12' 118.2 . . ?
C13' C12' H12' 118.2 . . ?
C12 C13 C14 128(2) . . ?
C12 C13 H13 116.1 . . ?
C14 C13 H13 116.1 . . ?
C12' C13' C14' 123(3) . . ?
C12' C13' H13' 118.3 . . ?
C14' C13' H13' 118.3 . . ?
C15 C14 C13 113(3) . . ?
C15 C14 H14 123.5 . . ?
C13 C14 H14 123.5 . . ?
C15' C14' C13' 112(3) . . ?
C15' C14' H14' 124.2 . . ?
C13' C14' H14' 124.2 . . ?
C14 C15 C10 122(2) . . ?
C14 C15 H15 119.0 . . ?
C10 C15 H15 119.0 . . ?
C10 C15' C14' 124(2) . . ?
C10 C15' H15' 118.1 . . ?
C14' C15' H15' 118.1 . . ?
O10 C16 C23 118.5(12) . . ?
O10 C16 C17 114.7(13) . . ?
C23 C16 C17 126.8(10) . . ?
C18 C17 C22 113.5(14) . . ?
C18 C17 C16 121.9(15) . . ?
C22 C17 C16 124.6(11) . . ?
C17 C18 C19 119.5(18) . . ?
C17 C18 H18 120.3 . . ?
C19 C18 H18 120.3 . . ?
C20 C19 C18 127.0(15) . . ?
C20 C19 H19 116.5 . . ?
C18 C19 H19 116.5 . . ?
C21 C20 C19 113.4(17) . . ?
C21 C20 H20 123.3 . . ?
C19 C20 H20 123.3 . . ?
C20 C21 C22 121(2) . . ?
C20 C21 H21 119.6 . . ?
C22 C21 H21 119.6 . . ?
C17 C22 C21 125.9(14) . . ?
C17 C22 H22 117.1 . . ?
C21 C22 H22 117.1 . . ?
C16 C23 C24 131.8(10) . . ?
C16 C23 H23 114.1 . . ?
C24 C23 H23 114.1 . . ?
O11 C24 C23 124.1(12) . . ?
O11 C24 C25 108.2(12) . . ?
C23 C24 C25 127.3(10) . . ?
C24 C25 C26 114.6(9) . . ?
C24 C25 C30 125.3(9) . . ?
C26 C25 C30 120.0 . . ?
C25 C26 C27 120.0 . . ?
C25 C26 H26 120.0 . . ?
C27 C26 H26 120.0 . . ?
C26 C27 C28 120.0 . . ?
C26 C27 H27 120.0 . . ?
C28 C27 H27 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C25 120.0 . . ?
C29 C30 H30 120.0 . . ?
C25 C30 H30 120.0 . . ?
O12 C31 C38 127.7(11) . . ?
O12 C31 C32 115.9(11) . . ?
C38 C31 C32 116.4(11) . . ?
C37 C32 C33 122.6(12) . . ?
C37 C32 C31 115.0(12) . . ?
C33 C32 C31 122.3(13) . . ?
C34 C33 C32 119.0(16) . . ?
C34 C33 H33 120.5 . . ?
C32 C33 H33 120.5 . . ?
C33 C34 C35 117.3(15) . . ?
C33 C34 H34 121.3 . . ?
C35 C34 H34 121.3 . . ?
C34 C35 C36 123.4(14) . . ?
C34 C35 H35 118.3 . . ?
C36 C35 H35 118.3 . . ?
C37 C36 C35 118.5(16) . . ?
C37 C36 H36 120.7 . . ?
C35 C36 H36 120.7 . . ?
C36 C37 C32 119.1(14) . . ?
C36 C37 H37 120.5 . . ?
C32 C37 H37 120.5 . . ?
C39 C38 C31 119.4(12) . . ?
C39 C38 H38 120.3 . . ?
C31 C38 H38 120.3 . . ?
O13 C39 C38 124.3(12) . . ?
O13 C39 C40 120.6(11) . . ?
C38 C39 C40 115.1(11) . . ?
C45 C40 C41 117.4(14) . . ?
C45 C40 C39 114.0(12) . . ?
C41 C40 C39 128.5(12) . . ?
C42 C41 C40 125.2(14) . . ?
C42 C41 H41 117.4 . . ?
C40 C41 H41 117.4 . . ?
C43 C42 C41 117.8(15) . . ?
C43 C42 H42 121.1 . . ?
C41 C42 H42 121.1 . . ?
C42 C43 C44 117.0(17) . . ?
C42 C43 H43 121.5 . . ?
C44 C43 H43 121.5 . . ?
C43 C44 C45 125.8(16) . . ?
C43 C44 H44 117.1 . . ?
C45 C44 H44 117.1 . . ?
C40 C45 C44 116.7(15) . . ?
C40 C45 H45 121.6 . . ?
C44 C45 H45 121.6 . . ?
O14 C46 C47 112.4(10) . . ?
O14 C46 C53 130.4(10) . . ?
C47 C46 C53 117.2(10) . . ?
C48 C47 C52 119.4(13) . . ?
C48 C47 C46 119.4(12) . . ?
C52 C47 C46 121.1(11) . . ?
C47 C48 C49 118.2(15) . . ?
C47 C48 H48 120.9 . . ?
C49 C48 H48 120.9 . . ?
C48 C49 C50 121.2(15) . . ?
C48 C49 H49 119.4 . . ?
C50 C49 H49 119.4 . . ?
C51 C50 C49 121.7(15) . . ?
C51 C50 H50 119.2 . . ?
C49 C50 H50 119.2 . . ?
C52 C51 C50 116.9(16) . . ?
C52 C51 H51 121.5 . . ?
C50 C51 H51 121.5 . . ?
C51 C52 C47 122.5(14) . . ?
C51 C52 H52 118.7 . . ?
C47 C52 H52 118.7 . . ?
C54 C53 C46 124.9(10) . . ?
C54 C53 H53 117.5 . . ?
C46 C53 H53 117.5 . . ?
O15 C54 C53 117.1(10) . . ?
O15 C54 C55 122.7(9) . . ?
C53 C54 C55 120.2(9) . . ?
C56 C55 C60 120.0 . . ?
C56 C55 C54 125.2(4) . . ?
C60 C55 C54 114.8(4) . . ?
C57 C56 C55 120.0 . . ?
C57 C56 H56 120.0 . . ?
C55 C56 H56 120.0 . . ?
C56 C57 C58 120.0 . . ?
C56 C57 H57 120.0 . . ?
C58 C57 H57 120.0 . . ?
C59 C58 C57 120.0 . . ?
C59 C58 H58 120.0 . . ?
C57 C58 H58 120.0 . . ?
C58 C59 C60 120.0 . . ?
C58 C59 H59 120.0 . . ?
C60 C59 H59 120.0 . . ?
C59 C60 C55 120.0 . . ?
C59 C60 H60 120.0 . . ?
C55 C60 H60 120.0 . . ?
O16 C61 C68 121.6(9) . . ?
O16 C61 C62 113.8(5) . . ?
C68 C61 C62 124.6(6) . . ?
C63 C62 C67 112.1(6) . . ?
C63 C62 C61 123.9 . . ?
C67 C62 C61 123.9(6) . . ?
C62 C63 C64 122.3(7) . . ?
C62 C63 H63 118.9 . . ?
C64 C63 H63 118.9 . . ?
C65 C64 C63 124.3(11) . . ?
C65 C64 H64 117.9 . . ?
C63 C64 H64 117.9 . . ?
C66 C65 C64 114.2(13) . . ?
C66 C65 H65 122.9 . . ?
C64 C65 H65 122.9 . . ?
C65 C66 C67 121.8(13) . . ?
C65 C66 H66 119.1 . . ?
C67 C66 H66 119.1 . . ?
C62 C67 C66 125.3(10) . . ?
C62 C67 H67 117.3 . . ?
C66 C67 H67 117.3 . . ?
C61 C68 C69 125.7(11) . . ?
C61 C68 H68 117.2 . . ?
C69 C68 H68 117.2 . . ?
O17 C69 C68 131.0(11) . . ?
O17 C69 C70 110.4(12) . . ?
C68 C69 C70 118.1(11) . . ?
C71 C70 C75 120.3(13) . . ?
C71 C70 C69 112.9(13) . . ?
C75 C70 C69 126.7(11) . . ?
C70 C71 C72 110.9(16) . . ?
C70 C71 H71 124.6 . . ?
C72 C71 H71 124.6 . . ?
C71 C72 C73 127.5(15) . . ?
C71 C72 H72 116.2 . . ?
C73 C72 H72 116.2 . . ?
C74 C73 C72 122.3(15) . . ?
C74 C73 H73 118.9 . . ?
C72 C73 H73 118.9 . . ?
C73 C74 C75 111.5(17) . . ?
C73 C74 H74 124.2 . . ?
C75 C74 H74 124.2 . . ?
C74 C75 C70 127.5(14) . . ?
C74 C75 H75 116.2 . . ?
C70 C75 H75 116.2 . . ?
O18 C76 C83 126.2(10) . . ?
O18 C76 C77 116.6(10) . . ?
C83 C76 C77 117.2(10) . . ?
C78 C77 C82 119.0(12) . . ?
C78 C77 C76 120.6(11) . . ?
C82 C77 C76 120.4(10) . . ?
C77 C78 C79 117.0(14) . . ?
C77 C78 H78 121.5 . . ?
C79 C78 H78 121.5 . . ?
C78 C79 C80 124.1(14) . . ?
C78 C79 H79 117.9 . . ?
C80 C79 H79 117.9 . . ?
C81 C80 C79 119.2(14) . . ?
C81 C80 H80 120.4 . . ?
C79 C80 H80 120.4 . . ?
C80 C81 C82 116.8(15) . . ?
C80 C81 H81 121.6 . . ?
C82 C81 H81 121.6 . . ?
C81 C82 C77 123.7(12) . . ?
C81 C82 H82 118.1 . . ?
C77 C82 H82 118.1 . . ?
C84 C83 C76 124.1(10) . . ?
C84 C83 H83 118.0 . . ?
C76 C83 H83 118.0 . . ?
O19 C84 C83 125.6(10) . . ?
O19 C84 C85 119.0(9) . . ?
C83 C84 C85 115.4(10) . . ?
C90 C85 C86 114.3(11) . . ?
C90 C85 C84 118.3(10) . . ?
C86 C85 C84 127.3(10) . . ?
C85 C86 C87 125.3(12) . . ?
C85 C86 H86 117.4 . . ?
C87 C86 H86 117.4 . . ?
C88 C87 C86 119.4(14) . . ?
C88 C87 H87 120.3 . . ?
C86 C87 H87 120.3 . . ?
C87 C88 C89 116.2(14) . . ?
C87 C88 H88 121.9 . . ?
C89 C88 H88 121.9 . . ?
C88 C89 C90 124.8(13) . . ?
C88 C89 H89 117.6 . . ?
C90 C89 H89 117.6 . . ?
C85 C90 C89 119.8(12) . . ?
C85 C90 H90 120.1 . . ?
C89 C90 H90 120.1 . . ?
O20 C91 C98 128.3(10) . . ?
O20 C91 C92 118.9(9) . . ?
C98 C91 C92 112.8(9) . . ?
C93 C92 C97 120.0 . . ?
C93 C92 C91 126.8(5) . . ?
C97 C92 C91 113.2(5) . . ?
C94 C93 C92 120.0 . . ?
C94 C93 H93 120.0 . . ?
C92 C93 H93 120.0 . . ?
C93 C94 C95 120.0 . . ?
C93 C94 H94 120.0 . . ?
C95 C94 H94 120.0 . . ?
C96 C95 C94 120.0 . . ?
C96 C95 H95 120.0 . . ?
C94 C95 H95 120.0 . . ?
C95 C96 C97 120.0 . . ?
C95 C96 H96 120.0 . . ?
C97 C96 H96 120.0 . . ?
C96 C97 C92 120.0 . . ?
C96 C97 H97 120.0 . . ?
C92 C97 H97 120.0 . . ?
C99 C98 C91 119.0(10) . . ?
C99 C98 H98 120.5 . . ?
C91 C98 H98 120.5 . . ?
O21 C99 C98 124.6(10) . . ?
O21 C99 C100 121.1(9) . . ?
C98 C99 C100 114.3(9) . . ?
C105 C100 C101 120.1(11) . . ?
C105 C100 C99 111.6(10) . . ?
C101 C100 C99 128.3(11) . . ?
C102 C101 C100 124.5(13) . . ?
C102 C101 H101 117.7 . . ?
C100 C101 H101 117.7 . . ?
C103 C102 C101 114.7(13) . . ?
C103 C102 H102 122.7 . . ?
C101 C102 H102 122.7 . . ?
C102 C103 C104 122.1(13) . . ?
C102 C103 H103 119.0 . . ?
C104 C103 H103 119.0 . . ?
C105 C104 C103 123.0(13) . . ?
C105 C104 H104 118.5 . . ?
C103 C104 H104 118.5 . . ?
C100 C105 C104 115.6(12) . . ?
C100 C105 H105 122.2 . . ?
C104 C105 H105 122.2 . . ?
O22 C106 C113 119.6(10) . . ?
O22 C106 C107 121.2(10) . . ?
C113 C106 C107 119.2(10) . . ?
C112 C107 C108 114.9(12) . . ?
C112 C107 C106 116.7(11) . . ?
C108 C107 C106 128.4(11) . . ?
C107 C108 C109 126.3(13) . . ?
C107 C108 H108 116.9 . . ?
C109 C108 H108 116.9 . . ?
C110 C109 C108 118.3(15) . . ?
C110 C109 H109 120.8 . . ?
C108 C109 H109 120.8 . . ?
C109 C110 C111 115.6(14) . . ?
C109 C110 H110 122.2 . . ?
C111 C110 H110 122.2 . . ?
C110 C111 C112 126.5(14) . . ?
C110 C111 H111 116.7 . . ?
C112 C111 H111 116.7 . . ?
C107 C112 C111 118.4(13) . . ?
C107 C112 H112 120.8 . . ?
C111 C112 H112 120.8 . . ?
C106 C113 C114 123.9(10) . . ?
C106 C113 H113 118.0 . . ?
C114 C113 H113 118.0 . . ?
O23 C114 C113 128.0(9) . . ?
O23 C114 C115 111.1(10) . . ?
C113 C114 C115 120.8(9) . . ?
C116 C115 C114 117.7(11) . . ?
C116 C115 C120 123.9(11) . . ?
C114 C115 C120 118.3(10) . . ?
C117 C116 C115 114.1(13) . . ?
C117 C116 H116 123.0 . . ?
C115 C116 H116 123.0 . . ?
C116 C117 C118 121.4(12) . . ?
C116 C117 H117 119.3 . . ?
C118 C117 H117 119.3 . . ?
C119 C118 C117 124.4(12) . . ?
C119 C118 H118 117.8 . . ?
C117 C118 H118 117.8 . . ?
C120 C119 C118 115.1(13) . . ?
C120 C119 H119 122.4 . . ?
C118 C119 H119 122.4 . . ?
C119 C120 C115 121.1(12) . . ?
C119 C120 H120 119.5 . . ?
C115 C120 H120 119.5 . . ?
O24 C121 C122 111.5(9) . . ?
O24 C121 C128 126.6(9) . . ?
C122 C121 C128 121.8(9) . . ?
C123 C122 C121 117.9(10) . . ?
C123 C122 C127 122.4(10) . . ?
C121 C122 C127 119.7(9) . . ?
C124 C123 C122 114.6(11) . . ?
C124 C123 H123 122.7 . . ?
C122 C123 H123 122.7 . . ?
C123 C124 C125 121.8(11) . . ?
C123 C124 H124 119.1 . . ?
C125 C124 H124 119.1 . . ?
C126 C125 C124 124.5(11) . . ?
C126 C125 H125 117.7 . . ?
C124 C125 H125 117.7 . . ?
C125 C126 C127 113.5(12) . . ?
C125 C126 H126 123.3 . . ?
C127 C126 H126 123.3 . . ?
C126 C127 C122 123.2(10) . . ?
C126 C127 H127 118.4 . . ?
C122 C127 H127 118.4 . . ?
C129 C128 C121 125.0(10) . . ?
C129 C128 H128 117.5 . . ?
C121 C128 H128 117.5 . . ?
O25 C129 C128 120.8(10) . . ?
O25 C129 C130 120.3(9) . . ?
C128 C129 C130 118.9(10) . . ?
C135 C130 C131 114.6(12) . . ?
C135 C130 C129 121.6(12) . . ?
C131 C130 C129 123.8(10) . . ?
C130 C131 C132 124.8(13) . . ?
C130 C131 H131 117.6 . . ?
C132 C131 H131 117.6 . . ?
C133 C132 C131 119.2(15) . . ?
C133 C132 H132 120.4 . . ?
C131 C132 H132 120.4 . . ?
C132 C133 C134 116.9(13) . . ?
C132 C133 H133 121.5 . . ?
C134 C133 H133 121.5 . . ?
C133 C134 C135 124.1(14) . . ?
C133 C134 H134 118.0 . . ?
C135 C134 H134 118.0 . . ?
C130 C135 C134 120.4(14) . . ?
C130 C135 H135 119.8 . . ?
C134 C135 H135 119.8 . . ?
O26 C136 C137 110.7(8) . . ?
O26 C136 C143 107.2(9) . 2_667 ?
C137 C136 C143 106.2(9) . 2_667 ?
C142 C137 C138 116.2(11) . . ?
C142 C137 C136 118.1(10) . . ?
C138 C137 C136 125.6(10) . . ?
C137 C138 C139 124.2(12) . . ?
C137 C138 H138 117.9 . . ?
C139 C138 H138 117.9 . . ?
C140 C139 C138 119.9(12) . . ?
C140 C139 H139 120.0 . . ?
C138 C139 H139 120.0 . . ?
C139 C140 C141 114.9(12) . . ?
C139 C140 H140 122.5 . . ?
C141 C140 H140 122.5 . . ?
C140 C141 C142 126.0(12) . . ?
C140 C141 H141 117.0 . . ?
C142 C141 H141 117.0 . . ?
C137 C142 C141 118.8(12) . . ?
C137 C142 H142 120.6 . . ?
C141 C142 H142 120.6 . . ?
O29 C143 O30 119.8(10) . . ?
O29 C143 C136 112.7(9) . 2_667 ?
O30 C143 C136 127.5(8) . 2_667 ?
O29 C143 La4 152.6(8) . 2_667 ?
O30 C143 La4 42.9(4) . 2_667 ?
C136 C143 La4 88.4(5) 2_667 2_667 ?
O4 C144 O27 110.9(9) 2_667 . ?
O4 C144 O28 124.5(8) 2_667 . ?
O27 C144 O28 124.6(8) . . ?
O4 C144 La2 176.3(7) 2_667 . ?
O27 C144 La2 67.4(5) . . ?
O28 C144 La2 57.2(4) . . ?
C146 C145 H14A 109.5 . . ?
C146 C145 H14B 109.5 . . ?
H14A C145 H14B 109.5 . . ?
C146 C145 H14C 109.5 . . ?
H14A C145 H14C 109.5 . . ?
H14B C145 H14C 109.5 . . ?
C151 C146 C145 112(2) . . ?
C151 C146 C147 125(2) . . ?
C145 C146 C147 124(2) . . ?
C148 C147 C146 125(2) . . ?
C148 C147 H147 117.6 . . ?
C146 C147 H147 117.6 . . ?
C147 C148 C149 111(2) . . ?
C147 C148 H148 124.5 . . ?
C149 C148 H148 124.5 . . ?
C148 C149 C150 125(2) . . ?
C148 C149 H149 117.6 . . ?
C150 C149 H149 117.6 . . ?
C151 C150 C149 124(2) . . ?
C151 C150 H150 117.8 . . ?
C149 C150 H150 117.8 . . ?
C150 C151 C146 110(2) . . ?
C150 C151 H151 124.8 . . ?
C146 C151 H151 124.8 . . ?
C153 C152 H15A 109.5 . . ?
C153 C152 H15B 109.5 . . ?
H15A C152 H15B 109.5 . . ?
C153 C152 H15C 109.5 . . ?
H15A C152 H15C 109.5 . . ?
H15B C152 H15C 109.5 . . ?
C154 C153 C158 111(2) . . ?
C154 C153 C152 120(3) . . ?
C158 C153 C152 129(3) . . ?
C153 C154 C155 121(2) . . ?
C153 C154 H154 119.4 . . ?
C155 C154 H154 119.4 . . ?
C156 C155 C154 131(3) . . ?
C156 C155 H155 114.5 . . ?
C154 C155 H155 114.5 . . ?
C155 C156 C157 107(2) . . ?
C155 C156 H156 126.6 . . ?
C157 C156 H156 126.6 . . ?
C156 C157 C158 127(3) . . ?
C156 C157 H157 116.4 . . ?
C158 C157 H157 116.4 . . ?
C157 C158 C153 123(2) . . ?
C157 C158 H158 118.7 . . ?
C153 C158 H158 118.7 . . ?
C160 C159 C164 119(3) . . ?
C160 C159 H159 120.4 . . ?
C164 C159 H159 120.4 . . ?
C161 C160 C159 114(3) . . ?
C161 C160 H160 122.9 . . ?
C159 C160 H160 122.9 . . ?
C160 C161 C162 129(2) . . ?
C160 C161 H161 115.5 . . ?
C162 C161 H161 115.5 . . ?
C163 C162 C161 117(2) . . ?
C163 C162 H162 121.6 . . ?
C161 C162 H162 121.6 . . ?
C162 C163 C164 116(3) . . ?
C162 C163 H163 122.0 . . ?
C164 C163 H163 122.0 . . ?
C163 C164 C159 125(3) . . ?
C163 C164 H164 117.7 . . ?
C159 C164 H164 117.7 . . ?
C166 C165 C170 127(4) . . ?
C166 C165 H165 116.3 . . ?
C170 C165 H165 116.3 . . ?
C167 C166 C165 109(4) . . ?
C167 C166 H166 125.7 . . ?
C165 C166 H166 125.7 . . ?
C166 C167 C168 125(4) . . ?
C166 C167 H167 117.4 . . ?
C168 C167 H167 117.4 . . ?
C167 C168 C169 125(3) . . ?
C167 C168 H168 117.6 . . ?
C169 C168 H168 117.6 . . ?
C170 C169 C168 106(3) . . ?
C170 C169 H169 126.8 . . ?
C168 C169 H169 126.8 . . ?
C169 C170 C165 128(4) . . ?
C169 C170 H170 116.2 . . ?
C165 C170 H170 116.2 . . ?
C175 C174 C179 118(3) . . ?
C175 C174 H174 121.2 . . ?
C179 C174 H174 121.2 . . ?
C176 C175 C174 119(2) . . ?
C176 C175 H175 120.3 . . ?
C174 C175 H175 120.3 . . ?
C175 C176 C177 122(3) . . ?
C175 C176 H176 119.0 . . ?
C177 C176 H176 119.0 . . ?
C178 C177 C176 119(3) . . ?
C178 C177 H177 120.3 . . ?
C176 C177 H177 120.3 . . ?
C177 C178 C179 120(3) . . ?
C177 C178 H178 120.1 . . ?
C179 C178 H178 120.1 . . ?
C178 C179 C174 122(3) . . ?
C178 C179 H179 119.1 . . ?
C174 C179 H179 119.1 . . ?
C182 C181 C187 125(5) . . ?
C182 C181 H181 117.7 . . ?
C187 C181 H181 117.7 . . ?
C181 C182 C183 111(4) . . ?
C181 C182 H182 124.7 . . ?
C183 C182 H182 124.7 . . ?
C182 C183 C184 125(4) . . ?
C182 C183 H183 117.7 . . ?
C184 C183 H183 117.7 . . ?
C185 C184 C183 125(4) . . ?
C185 C184 H184 117.4 . . ?
C183 C184 H184 117.4 . . ?
C187 C185 C184 109(4) . . ?
C187 C185 H185 125.5 . . ?
C184 C185 H185 125.5 . . ?
C185 C187 C181 126(5) . . ?
C185 C187 H187 117.1 . . ?
C181 C187 H187 117.1 . . ?
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 O31 2.268(6) . ?
La1 O1 2.316(6) . ?
La1 O23 2.431(7) . ?
La1 O5 2.655(7) 2_667 ?
La1 O2 2.658(6) . ?
La1 O22 2.719(8) . ?
La1 O27 2.722(7) 2_667 ?
La1 O28 2.732(7) . ?
La1 O32 2.774(7) . ?
La1 La6 3.8691(17) 2_667 ?
La1 La3 3.9073(13) . ?
La1 La2 4.1486(13) . ?
La2 O3 2.268(6) . ?
La2 O24 2.336(7) . ?
La2 O28 2.409(6) . ?
La2 O29 2.484(7) . ?
La2 O27 2.646(7) . ?
La2 O5 2.681(7) . ?
La2 O1 2.705(7) . ?
La2 O25 2.755(8) . ?
La2 O4 2.774(7) . ?
La2 C144 2.863(9) . ?
La2 La6 3.8625(13) . ?
La2 La3 3.9135(12) . ?
La3 O18 2.270(7) . ?
La3 O1 2.332(6) . ?
La3 O2 2.534(7) . ?
La3 O3 2.594(7) . ?
La3 O20 2.622(8) . ?
La3 O19 2.624(7) . ?
La3 O6 2.627(7) . ?
La3 O21 2.680(8) . ?
La3 O4 2.842(7) . ?
La4 O9 2.245(7) . ?
La4 O30 2.309(7) 2_667 ?
La4 O8 2.382(8) . ?
La4 O6 2.471(7) . ?
La4 O7 2.522(7) . ?
La4 O26 2.658(8) . ?
La4 O10 2.712(8) . ?
La4 O19 2.895(8) . ?
La4 C143 3.079(9) 2_667 ?
La4 La6 4.1032(12) . ?
La5 O12 2.354(8) . ?
La5 O31 2.496(7) 2_667 ?
La5 O14 2.520(8) . ?
La5 O13 2.522(9) . ?
La5 O11 2.594(8) . ?
La5 O15 2.630(8) . ?
La5 O7 2.649(8) . ?
La5 O32 2.718(7) 2_667 ?
La5 O10 2.731(8) . ?
La5 La6 4.154(3) . ?
La6 O17 2.324(7) . ?
La6 O5 2.351(6) . ?
La6 O16 2.496(8) . ?
La6 O6 2.577(7) . ?
La6 O11 2.595(7) . ?
La6 O4 2.611(7) . ?
La6 O7 2.632(7) . ?
La6 O31 2.833(8) 2_667 ?
La6 O3 2.868(8) . ?
La6 La1 3.8691(17) 2_667 ?
O4 C144 1.226(11) 2_667 ?
O5 La1 2.655(7) 2_667 ?
O8 C1 1.179(13) . ?
O9 C9 1.187(13) . ?
O10 C16 1.161(13) . ?
O11 C24 1.173(12) . ?
O12 C31 1.397(15) . ?
O13 C39 1.380(15) . ?
O14 C46 1.404(14) . ?
O15 C54 1.351(13) . ?
O16 C61 1.234(9) . ?
O17 C69 1.189(15) . ?
O18 C76 1.283(13) . ?
O19 C84 1.327(13) . ?
O20 C91 1.399(14) . ?
O21 C99 1.389(13) . ?
O22 C106 1.327(13) . ?
O23 C114 1.323(13) . ?
O24 C121 1.312(13) . ?
O25 C129 1.301(13) . ?
O26 C136 1.301(12) . ?
O27 C144 1.237(11) . ?
O27 La1 2.722(7) 2_667 ?
O28 C144 1.431(12) . ?
O29 C143 1.129(11) . ?
O30 C143 1.287(12) . ?
O30 La4 2.309(7) 2_667 ?
O31 La5 2.496(7) 2_667 ?
O31 La6 2.833(8) 2_667 ?
O32 La5 2.718(7) 2_667 ?
C1 C8 1.30(2) . ?
C1 C2 1.468(18) . ?
C2 C3 1.31(2) . ?
C2 C3' 1.40(3) . ?
C2 C7' 1.42(3) . ?
C2 C7 1.44(2) . ?
C3 C4 1.39(3) . ?
C3 H3 0.9500 . ?
C3' C4' 1.40(3) . ?
C3' H3' 0.9500 . ?
C4 C5 1.35(3) . ?
C4 H4 0.9500 . ?
C4' C5' 1.40(3) . ?
C4' H4' 0.9500 . ?
C5 C6 1.34(3) . ?
C5 H5 0.9500 . ?
C5' C6' 1.41(3) . ?
C5' H5' 0.9500 . ?
C6 C7 1.39(3) . ?
C6 H6 0.9500 . ?
C6' C7' 1.40(3) . ?
C6' H6' 0.9500 . ?
C7 H7 0.9500 . ?
C7' H7' 0.9500 . ?
C8 C9 1.38(2) . ?
C8 H8 0.9500 . ?
C9 C10 1.376(18) . ?
C10 C15' 1.33(3) . ?
C10 C15 1.35(3) . ?
C10 C11' 1.41(2) . ?
C10 C11 1.50(2) . ?
C11 C12 1.35(3) . ?
C11 H11 0.9500 . ?
C11' C12' 1.33(3) . ?
C11' H11' 0.9500 . ?
C12 C13 1.40(3) . ?
C12 H12 0.9500 . ?
C12' C13' 1.38(3) . ?
C12' H12' 0.9500 . ?
C13 C14 1.41(3) . ?
C13 H13 0.9500 . ?
C13' C14' 1.40(3) . ?
C13' H13' 0.9500 . ?
C14 C15 1.34(3) . ?
C14 H14 0.9500 . ?
C14' C15' 1.36(3) . ?
C14' H14' 0.9500 . ?
C15 H15 0.9500 . ?
C15' H15' 0.9500 . ?
C16 C23 1.337(19) . ?
C16 C17 1.472(18) . ?
C17 C18 1.248(16) . ?
C17 C22 1.31(2) . ?
C18 C19 1.37(2) . ?
C18 H18 0.9500 . ?
C19 C20 1.31(3) . ?
C19 H19 0.9500 . ?
C20 C21 1.22(2) . ?
C20 H20 0.9500 . ?
C21 C22 1.38(2) . ?
C21 H21 0.9500 . ?
C22 H22 0.9500 . ?
C23 C24 1.382(18) . ?
C23 H23 0.9500 . ?
C24 C25 1.383(15) . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C26 H26 0.9500 . ?
C27 C28 1.3900 . ?
C27 H27 0.9500 . ?
C28 C29 1.3900 . ?
C28 H28 0.9500 . ?
C29 C30 1.3900 . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C38 1.438(18) . ?
C31 C32 1.494(17) . ?
C32 C37 1.41(2) . ?
C32 C33 1.47(2) . ?
C33 C34 1.37(2) . ?
C33 H33 0.9500 . ?
C34 C35 1.43(3) . ?
C34 H34 0.9500 . ?
C35 C36 1.46(2) . ?
C35 H35 0.9500 . ?
C36 C37 1.360(19) . ?
C36 H36 0.9500 . ?
C37 H37 0.9500 . ?
C38 C39 1.410(18) . ?
C38 H38 0.9500 . ?
C39 C40 1.552(19) . ?
C40 C45 1.35(2) . ?
C40 C41 1.452(19) . ?
C41 C42 1.41(2) . ?
C41 H41 0.9500 . ?
C42 C43 1.35(2) . ?
C42 H42 0.9500 . ?
C43 C44 1.43(2) . ?
C43 H43 0.9500 . ?
C44 C45 1.44(2) . ?
C44 H44 0.9500 . ?
C45 H45 0.9500 . ?
C46 C47 1.498(17) . ?
C46 C53 1.522(17) . ?
C47 C48 1.392(18) . ?
C47 C52 1.439(19) . ?
C48 C49 1.40(2) . ?
C48 H48 0.9500 . ?
C49 C50 1.41(3) . ?
C49 H49 0.9500 . ?
C50 C51 1.39(2) . ?
C50 H50 0.9500 . ?
C51 C52 1.38(2) . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C54 1.414(17) . ?
C53 H53 0.9500 . ?
C54 C55 1.762(13) . ?
C55 C56 1.3900 . ?
C55 C60 1.3900 . ?
C56 C57 1.3900 . ?
C56 H56 0.9500 . ?
C57 C58 1.3900 . ?
C57 H57 0.9500 . ?
C58 C59 1.3900 . ?
C58 H58 0.9500 . ?
C59 C60 1.3900 . ?
C59 H59 0.9500 . ?
C60 H60 0.9500 . ?
C61 C68 1.409(14) . ?
C61 C62 1.5573 . ?
C62 C63 1.3300 . ?
C62 C67 1.369(14) . ?
C63 C64 1.437(17) . ?
C63 H63 0.9500 . ?
C64 C65 1.35(2) . ?
C64 H64 0.9500 . ?
C65 C66 1.308(17) . ?
C65 H65 0.9500 . ?
C66 C67 1.427(17) . ?
C66 H66 0.9500 . ?
C67 H67 0.9500 . ?
C68 C69 1.435(18) . ?
C68 H68 0.9500 . ?
C69 C70 1.546(17) . ?
C70 C71 1.310(18) . ?
C70 C75 1.51(2) . ?
C71 C72 1.40(2) . ?
C71 H71 0.9500 . ?
C72 C73 1.47(3) . ?
C72 H72 0.9500 . ?
C73 C74 1.28(2) . ?
C73 H73 0.9500 . ?
C74 C75 1.378(19) . ?
C74 H74 0.9500 . ?
C75 H75 0.9500 . ?
C76 C83 1.397(15) . ?
C76 C77 1.477(14) . ?
C77 C78 1.313(17) . ?
C77 C82 1.403(17) . ?
C78 C79 1.383(19) . ?
C78 H78 0.9500 . ?
C79 C80 1.39(2) . ?
C79 H79 0.9500 . ?
C80 C81 1.31(2) . ?
C80 H80 0.9500 . ?
C81 C82 1.389(18) . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C83 C84 1.388(15) . ?
C83 H83 0.9500 . ?
C84 C85 1.467(15) . ?
C85 C90 1.299(15) . ?
C85 C86 1.370(16) . ?
C86 C87 1.371(19) . ?
C86 H86 0.9500 . ?
C87 C88 1.28(2) . ?
C87 H87 0.9500 . ?
C88 C89 1.34(2) . ?
C88 H88 0.9500 . ?
C89 C90 1.380(18) . ?
C89 H89 0.9500 . ?
C90 H90 0.9500 . ?
C91 C98 1.441(14) . ?
C91 C92 1.568(13) . ?
C92 C93 1.3900 . ?
C92 C97 1.3900 . ?
C93 C94 1.3900 . ?
C93 H93 0.9500 . ?
C94 C95 1.3900 . ?
C94 H94 0.9500 . ?
C95 C96 1.3900 . ?
C95 H95 0.9500 . ?
C96 C97 1.3900 . ?
C96 H96 0.9500 . ?
C97 H97 0.9500 . ?
C98 C99 1.399(13) . ?
C98 H98 0.9500 . ?
C99 C100 1.580(16) . ?
C100 C105 1.401(16) . ?
C100 C101 1.529(16) . ?
C101 C102 1.417(17) . ?
C101 H101 0.9500 . ?
C102 C103 1.389(19) . ?
C102 H102 0.9500 . ?
C103 C104 1.514(19) . ?
C103 H103 0.9500 . ?
C104 C105 1.434(16) . ?
C104 H104 0.9500 . ?
C105 H105 0.9500 . ?
C106 C113 1.417(16) . ?
C106 C107 1.652(16) . ?
C107 C112 1.355(17) . ?
C107 C108 1.469(18) . ?
C108 C109 1.53(2) . ?
C108 H108 0.9500 . ?
C109 C110 1.34(2) . ?
C109 H109 0.9500 . ?
C110 C111 1.46(2) . ?
C110 H110 0.9500 . ?
C111 C112 1.515(19) . ?
C111 H111 0.9500 . ?
C112 H112 0.9500 . ?
C113 C114 1.514(16) . ?
C113 H113 0.9500 . ?
C114 C115 1.523(15) . ?
C115 C116 1.477(17) . ?
C115 C120 1.535(18) . ?
C116 C117 1.414(18) . ?
C116 H116 0.9500 . ?
C117 C118 1.53(2) . ?
C117 H117 0.9500 . ?
C118 C119 1.45(2) . ?
C118 H118 0.9500 . ?
C119 C120 1.407(17) . ?
C119 H119 0.9500 . ?
C120 H120 0.9500 . ?
C121 C122 1.491(15) . ?
C121 C128 1.520(16) . ?
C122 C123 1.434(15) . ?
C122 C127 1.542(16) . ?
C123 C124 1.405(17) . ?
C123 H123 0.9500 . ?
C124 C125 1.544(19) . ?
C124 H124 0.9500 . ?
C125 C126 1.405(17) . ?
C125 H125 0.9500 . ?
C126 C127 1.411(16) . ?
C126 H126 0.9500 . ?
C127 H127 0.9500 . ?
C128 C129 1.352(15) . ?
C128 H128 0.9500 . ?
C129 C130 1.633(16) . ?
C130 C135 1.397(17) . ?
C130 C131 1.461(18) . ?
C131 C132 1.514(18) . ?
C131 H131 0.9500 . ?
C132 C133 1.37(2) . ?
C132 H132 0.9500 . ?
C133 C134 1.44(2) . ?
C133 H133 0.9500 . ?
C134 C135 1.50(2) . ?
C134 H134 0.9500 . ?
C135 H135 0.9500 . ?
C136 C137 1.520(14) . ?
C136 C143 1.614(15) 2_667 ?
C137 C142 1.270(16) . ?
C137 C138 1.378(15) . ?
C138 C139 1.387(17) . ?
C138 H138 0.9500 . ?
C139 C140 1.276(18) . ?
C139 H139 0.9500 . ?
C140 C141 1.366(18) . ?
C140 H140 0.9500 . ?
C141 C142 1.383(17) . ?
C141 H141 0.9500 . ?
C142 H142 0.9500 . ?
C143 C136 1.614(15) 2_667 ?
C143 La4 3.079(9) 2_667 ?
C144 O4 1.226(11) 2_667 ?
C145 C146 1.43(3) . ?
C145 H14A 0.9800 . ?
C145 H14B 0.9800 . ?
C145 H14C 0.9800 . ?
C146 C151 1.39(2) . ?
C146 C147 1.45(2) . ?
C147 C148 1.34(2) . ?
C147 H147 0.9500 . ?
C148 C149 1.39(3) . ?
C148 H148 0.9500 . ?
C149 C150 1.44(3) . ?
C149 H149 0.9500 . ?
C150 C151 1.37(3) . ?
C150 H150 0.9500 . ?
C151 H151 0.9500 . ?
C152 C153 1.49(4) . ?
C152 H15A 0.9800 . ?
C152 H15B 0.9800 . ?
C152 H15C 0.9800 . ?
C153 C154 1.33(3) . ?
C153 C158 1.45(3) . ?
C154 C155 1.48(3) . ?
C154 H154 0.9500 . ?
C155 C156 1.31(2) . ?
C155 H155 0.9500 . ?
C156 C157 1.39(3) . ?
C156 H156 0.9500 . ?
C157 C158 1.42(3) . ?
C157 H157 0.9500 . ?
C158 H158 0.9500 . ?
C159 C160 1.37(3) . ?
C159 C164 1.41(3) . ?
C159 H159 0.9500 . ?
C160 C161 1.35(3) . ?
C160 H160 0.9500 . ?
C161 C162 1.40(2) . ?
C161 H161 0.9500 . ?
C162 C163 1.36(3) . ?
C162 H162 0.9500 . ?
C163 C164 1.39(3) . ?
C163 H163 0.9500 . ?
C164 H164 0.9500 . ?
C165 C166 1.41(4) . ?
C165 C170 1.42(3) . ?
C165 H165 0.9500 . ?
C166 C167 1.39(3) . ?
C166 H166 0.9500 . ?
C167 C168 1.46(3) . ?
C167 H167 0.9500 . ?
C168 C169 1.50(3) . ?
C168 H168 0.9500 . ?
C169 C170 1.38(3) . ?
C169 H169 0.9500 . ?
C170 H170 0.9500 . ?
C174 C175 1.38(3) . ?
C174 C179 1.45(3) . ?
C174 H174 0.9500 . ?
C175 C176 1.38(3) . ?
C175 H175 0.9500 . ?
C176 C177 1.40(2) . ?
C176 H176 0.9500 . ?
C177 C178 1.36(3) . ?
C177 H177 0.9500 . ?
C178 C179 1.36(3) . ?
C178 H178 0.9500 . ?
C179 H179 0.9500 . ?
C181 C182 1.38(4) . ?
C181 C187 1.42(4) . ?
C181 H181 0.9500 . ?
C182 C183 1.40(3) . ?
C182 H182 0.9500 . ?
C183 C184 1.42(3) . ?
C183 H183 0.9500 . ?
C184 C185 1.40(3) . ?
C184 H184 0.9500 . ?
C185 C187 1.40(4) . ?
C185 H185 0.9500 . ?
C187 H187 0.9500 . ?
