#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:21:16 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180389 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/58/7205850.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_7205850
loop_
_publ_author_name
'Liu, Hai-Yang'
'Yuan, Yong-Jun'
'Yu, Zhen-Tao'
'Zou, Zhi-Gang'
_publ_section_title
;
 Direct assembly of new cobalt(iii)-lanthanide(iii) heterometallic
 frameworks with NaCl-like topology
;
_journal_issue                   7
_journal_name_full               CrystEngComm
_journal_page_first              2391
_journal_paper_doi               10.1039/c0ce00881h
_journal_volume                  13
_journal_year                    2011
_chemical_formula_sum            'C72 H74 Co2 La4 N18 O61'
_chemical_formula_weight         2840.99
_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                101.492(2)
_cell_angle_beta                 102.416(3)
_cell_angle_gamma                95.975(2)
_cell_formula_units_Z            1
_cell_length_a                   11.0396(13)
_cell_length_b                   12.5110(16)
_cell_length_c                   22.498(2)
_cell_measurement_reflns_used    2213
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      20.86
_cell_measurement_theta_min      2.33
_cell_volume                     2938.6(6)
_computing_cell_refinement       SMART
_computing_data_collection       'SMART (Bruker, 2000)'
_computing_data_reduction        'SAINT (Bruker, 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Bruker, 2000)'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.978
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'Bruker Smart Apex CCD'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0227
_diffrn_reflns_av_sigmaI/netI    0.0628
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            16223
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.68
_exptl_absorpt_coefficient_mu    1.798
_exptl_absorpt_correction_T_max  0.6931
_exptl_absorpt_correction_T_min  0.6330
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS; Bruker, 2000'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.605
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1402
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.26
_exptl_crystal_size_min          0.22
_refine_diff_density_max         0.763
_refine_diff_density_min         -0.858
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.046
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           fullcycle
_refine_ls_number_parameters     739
_refine_ls_number_reflns         11303
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.046
_refine_ls_R_factor_all          0.0790
_refine_ls_R_factor_gt           0.0547
_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)+(0.06P)²+1.99P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1132
_refine_ls_wR_factor_ref         0.1187
_reflns_number_gt                8222
_reflns_number_total             11303
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c0ce00881h.txt
_cod_data_source_block           3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1555 2011-01-17 13:19:09Z saulius 
;
_cod_original_sg_symbol_H-M      'P-1 '
_cod_database_code               7205850
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
C1 C 0.6975(5) 0.8276(4) 0.3710(3) 0.0425(14) Uani 1 1 d . . .
H1A H 0.7740 0.8739 0.3878 0.051 Uiso 1 1 calc R . .
C2 C 0.6509(6) 0.7598(5) 0.4094(3) 0.0478(14) Uani 1 1 d . . .
H2A H 0.6922 0.7661 0.4509 0.057 Uiso 1 1 calc R . .
C3 C 0.5449(5) 0.6876(4) 0.3819(3) 0.0363(11) Uani 1 1 d . . .
C4 C 0.4778(6) 0.6892(5) 0.3164(2) 0.0396(12) Uani 1 1 d . . .
H4A H 0.4036 0.6409 0.2972 0.047 Uiso 1 1 calc R . .
C5 C 0.5226(5) 0.7587(4) 0.2850(2) 0.0350(11) Uani 1 1 d . . .
C6 C 0.4653(6) 0.7666(4) 0.2214(2) 0.0401(13) Uani 1 1 d . . .
C7 C 0.3589(5) 0.6922(5) 0.1797(3) 0.0398(12) Uani 1 1 d . . .
H7A H 0.3229 0.6324 0.1921 0.048 Uiso 1 1 calc R . .
C8 C 0.3079(5) 0.7112(5) 0.1180(3) 0.0380(12) Uani 1 1 d . . .
C9 C 0.3560(6) 0.7985(5) 0.1040(3) 0.0444(13) Uani 1 1 d . . .
H9A H 0.3191 0.8161 0.0667 0.053 Uiso 1 1 calc R . .
C10 C 0.4645(5) 0.8686(4) 0.1446(3) 0.0376(12) Uani 1 1 d . . .
H10E H 0.5018 0.9270 0.1315 0.045 Uiso 1 1 calc R . .
C11 C 0.4930(6) 0.6081(4) 0.4153(2) 0.0385(12) Uani 1 1 d . . .
C12 C 0.1953(6) 0.6313(5) 0.0748(3) 0.0483(15) Uani 1 1 d . . .
C13 C 0.7167(5) 1.1078(5) 0.1974(3) 0.0416(12) Uani 1 1 d . . .
H13E H 0.6816 1.1504 0.2260 0.050 Uiso 1 1 calc R . .
C14 C 0.7621(5) 1.1528(5) 0.1570(3) 0.0391(12) Uani 1 1 d . . .
H14E H 0.7617 1.2277 0.1586 0.047 Uiso 1 1 calc R . .
C15 C 0.8116(5) 1.0887(4) 0.1109(2) 0.0376(12) Uani 1 1 d . . .
C16 C 0.8175(5) 0.9791(5) 0.1086(3) 0.0401(13) Uani 1 1 d . . .
H16E H 0.8499 0.9363 0.0788 0.048 Uiso 1 1 calc R . .
C17 C 0.7716(5) 0.9349(4) 0.1540(2) 0.0344(11) Uani 1 1 d . . .
C18 C 0.7701(5) 0.8176(5) 0.1556(3) 0.0391(12) Uani 1 1 d . . .
C19 C 0.8145(5) 0.7364(5) 0.1149(3) 0.0413(13) Uani 1 1 d . . .
H19E H 0.8384 0.7538 0.0804 0.050 Uiso 1 1 calc R . .
C20 C 0.8222(5) 0.6349(4) 0.1257(3) 0.0392(12) Uani 1 1 d . . .
C21 C 0.7942(5) 0.6118(4) 0.1774(3) 0.0392(12) Uani 1 1 d . . .
H21D H 0.8024 0.5436 0.1870 0.047 Uiso 1 1 calc R . .
C22 C 0.7527(5) 0.6935(4) 0.2158(2) 0.0322(10) Uani 1 1 d . . .
H22C H 0.7348 0.6750 0.2514 0.039 Uiso 1 1 calc R . .
C23 C 0.8651(6) 1.1401(5) 0.0673(3) 0.0490(14) Uani 1 1 d . . .
C24 C 0.8800(5) 0.5594(4) 0.0848(2) 0.0354(11) Uani 1 1 d . . .
C25 C 0.9516(5) 0.9373(4) 0.3092(2) 0.0347(11) Uani 1 1 d . . .
H25E H 0.9485 0.8699 0.2821 0.042 Uiso 1 1 calc R . .
C26 C 1.0668(6) 0.9924(5) 0.3470(3) 0.0529(16) Uani 1 1 d . . .
H26A H 1.1386 0.9593 0.3482 0.063 Uiso 1 1 calc R . .
C27 C 1.0724(5) 1.0964(5) 0.3825(3) 0.0417(12) Uani 1 1 d . . .
C28 C 0.9566(5) 1.1446(4) 0.3862(2) 0.0340(11) Uani 1 1 d . . .
H28A H 0.9579 1.2126 0.4123 0.041 Uiso 1 1 calc R . .
C29 C 0.8476(5) 1.0826(4) 0.3486(2) 0.0321(10) Uani 1 1 d . . .
C30 C 0.7248(4) 1.1134(5) 0.3494(2) 0.0371(12) Uani 1 1 d . . .
C31 C 0.7027(5) 1.2051(5) 0.3883(3) 0.0460(14) Uani 1 1 d . . .
H31A H 0.7690 1.2540 0.4165 0.055 Uiso 1 1 calc R . .
C32 C 0.5779(5) 1.2239(4) 0.3848(2) 0.0327(10) Uani 1 1 d . . .
C33 C 0.4828(5) 1.1531(4) 0.3373(2) 0.0388(12) Uani 1 1 d . . .
H33A H 0.4011 1.1689 0.3317 0.047 Uiso 1 1 calc R . .
C34 C 0.5055(5) 1.0633(5) 0.2999(2) 0.0393(12) Uani 1 1 d . . .
H34A H 0.4396 1.0166 0.2701 0.047 Uiso 1 1 calc R . .
C35 C 1.1937(6) 1.1701(5) 0.4181(3) 0.0439(13) Uani 1 1 d . . .
C36 C 0.5419(5) 1.3219(5) 0.4258(3) 0.0428(13) Uani 1 1 d . . .
Co1 Co 0.67800(7) 0.91333(6) 0.25739(3) 0.03394(16) Uani 1 1 d . . .
La1 La 0.69902(3) 0.55373(2) 0.548091(14) 0.03502(9) Uani 1 1 d . . .
La2 La 0.04026(3) 0.36712(3) 0.050167(15) 0.03861(9) Uani 1 1 d . . .
N1 N 0.6331(4) 0.8265(4) 0.3102(2) 0.0372(10) Uani 1 1 d . . .
N2 N 0.5153(4) 0.8517(4) 0.2031(2) 0.0398(10) Uani 1 1 d . . .
N3 N 0.7209(4) 0.9937(3) 0.19762(19) 0.0324(9) Uani 1 1 d . . .
N4 N 0.7352(4) 0.7917(4) 0.2097(2) 0.0388(10) Uani 1 1 d . . .
N5 N 0.8443(4) 0.9789(4) 0.3109(2) 0.0376(10) Uani 1 1 d . . .
N6 N 0.6248(4) 1.0409(3) 0.30551(19) 0.0295(8) Uani 1 1 d . . .
O1 O 0.5678(4) 0.5897(3) 0.46225(18) 0.0439(9) Uani 1 1 d . . .
O2 O 0.3771(4) 0.5681(3) 0.39910(18) 0.0433(9) Uani 1 1 d . . .
O3 O 0.1614(4) 0.5483(3) 0.09116(18) 0.0412(9) Uani 1 1 d . . .
O4 O 0.1450(4) 0.6588(3) 0.02800(17) 0.0410(9) Uani 1 1 d . . .
O5 O 0.9073(4) 1.2449(3) 0.08175(19) 0.0446(9) Uani 1 1 d . . .
O6 O 0.8708(4) 1.0760(3) 0.01689(18) 0.0481(10) Uani 1 1 d . . .
O7 O 0.9058(3) 0.5835(3) 0.03737(17) 0.0381(8) Uani 1 1 d . . .
O8 O 0.9078(4) 0.4708(3) 0.10333(18) 0.0416(9) Uani 1 1 d . . .
O9 O 1.2872(4) 1.1251(3) 0.42820(18) 0.0419(9) Uani 1 1 d . . .
O10 O 1.1947(3) 1.2723(3) 0.43854(17) 0.0383(8) Uani 1 1 d . . .
O11 O 0.6361(4) 1.3774(3) 0.47008(18) 0.0442(9) Uani 1 1 d . . .
O12 O 0.4440(4) 1.3525(3) 0.41294(16) 0.0400(9) Uani 1 1 d . . .
O1W O 0.7984(4) 0.6340(3) 0.66249(18) 0.0464(10) Uani 1 1 d . . .
H1X H 0.7425 0.6751 0.6816 0.056 Uiso 1 1 d R . .
H1Y H 0.8736 0.6829 0.6669 0.056 Uiso 1 1 d R . .
O2W O 0.8679(4) 0.4595(3) 0.5846(2) 0.0484(10) Uani 1 1 d . . .
H2X H 0.8388 0.3992 0.6010 0.058 Uiso 1 1 d R . .
H2Y H 0.9308 0.5110 0.6178 0.058 Uiso 1 1 d R . .
O3W O 0.8254(4) 0.5463(3) 0.47358(19) 0.0479(10) Uani 1 1 d . . .
H3X H 0.8808 0.6153 0.4837 0.057 Uiso 1 1 d R . .
H3Y H 0.7726 0.5341 0.4311 0.057 Uiso 1 1 d R . .
O4W O 0.1195(4) 0.3709(3) 0.16290(18) 0.0468(10) Uani 1 1 d . . .
H4X H 0.0510 0.3554 0.1807 0.056 Uiso 1 1 d R . .
H4Y H 0.1657 0.4429 0.1853 0.056 Uiso 1 1 d R . .
O5W O 0.2456(4) 0.3235(4) 0.0693(2) 0.0503(10) Uani 1 1 d . . .
H5X H 0.2559 0.2770 0.0310 0.060 Uiso 1 1 d R . .
H5Y H 0.3051 0.3903 0.0818 0.060 Uiso 1 1 d R . .
O6W O 0.0211(4) 0.1895(3) -0.02589(19) 0.0486(10) Uani 1 1 d . . .
H6X H -0.0180 0.1990 -0.0658 0.058 Uiso 1 1 d R . .
H6Y H -0.0171 0.1377 -0.0232 0.058 Uiso 1 1 d R . .
N7 N 0.1385(5) 0.9654(5) 0.2009(3) 0.0509(12) Uani 1 1 d . . .
N8 N 0.8765(6) 0.3947(5) 0.2912(2) 0.0567(14) Uani 1 1 d . . .
N9 N 0.7878(5) 0.1518(5) 0.5384(2) 0.0461(12) Uani 1 1 d . . .
O71 O 0.0981(4) 1.0528(3) 0.2030(2) 0.0505(11) Uani 1 1 d . . .
O72 O 0.0912(5) 0.8829(4) 0.1559(2) 0.0595(12) Uani 1 1 d . . .
O73 O 0.2248(4) 0.9546(3) 0.24166(19) 0.0456(9) Uani 1 1 d . . .
O81 O 0.9615(4) 0.3772(4) 0.26488(19) 0.0515(11) Uani 1 1 d . . .
O82 O 0.7881(4) 0.4287(4) 0.26155(18) 0.0462(9) Uani 1 1 d . . .
O83 O 0.8746(4) 0.3713(4) 0.3414(2) 0.0527(11) Uani 1 1 d . . .
O91 O 0.6842(4) 0.1039(4) 0.5228(2) 0.0533(11) Uani 1 1 d . . .
O92 O 0.8103(4) 0.2521(3) 0.56253(18) 0.0420(9) Uani 1 1 d . . .
O93 O 0.8767(4) 0.1012(3) 0.53159(18) 0.0441(9) Uani 1 1 d . . .
O7W O 0.1272(9) 0.5160(7) 0.2761(4) 0.054(2) Uani 0.50 1 d P . .
H7X H 0.1272 0.5857 0.2877 0.064 Uiso 0.50 1 d PR . .
H7Y H 0.1922 0.5018 0.3000 0.064 Uiso 0.50 1 d PR . .
O8W O 0.6441(8) 0.6493(7) 0.7543(4) 0.0465(19) Uani 0.50 1 d P . .
H8X H 0.5972 0.6164 0.7723 0.056 Uiso 0.50 1 d PR . .
H8Y H 0.6635 0.7176 0.7736 0.056 Uiso 0.50 1 d PR . .
O9W O 0.0955(9) 0.7131(7) 0.2193(4) 0.056(2) Uani 0.50 1 d P . .
H9X H 0.0173 0.7110 0.2056 0.067 Uiso 0.50 1 d PR . .
H9Y H 0.1299 0.7803 0.2356 0.067 Uiso 0.50 1 d PR . .
O10W O 0.9150(9) 0.6226(8) 0.3833(4) 0.060(3) Uani 0.50 1 d P . .
H10X H 0.8524 0.5932 0.3520 0.072 Uiso 0.50 1 d PR . .
H10Y H 0.9175 0.6929 0.3923 0.072 Uiso 0.50 1 d PR . .
O11W O 0.5080(8) 0.5154(6) 0.9175(4) 0.047(2) Uani 0.50 1 d P . .
H11X H 0.4624 0.4749 0.8824 0.057 Uiso 0.50 1 d PR . .
H11Y H 0.5471 0.4746 0.9392 0.057 Uiso 0.50 1 d PR . .
O12W O 0.3563(8) 0.6894(7) 0.9545(4) 0.051(2) Uani 0.50 1 d P . .
H12X H 0.3970 0.7331 0.9897 0.062 Uiso 0.50 1 d PR . .
H12Y H 0.2877 0.6597 0.9587 0.062 Uiso 0.50 1 d PR . .
O13W O 0.3974(8) 0.1579(7) 0.0738(4) 0.059(2) Uani 0.50 1 d P . .
H13X H 0.4092 0.1633 0.0380 0.071 Uiso 0.50 1 d PR . .
H13Y H 0.4354 0.1072 0.0864 0.071 Uiso 0.50 1 d PR . .
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'
Co Co 0.3494 0.9721 '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
N1 C1 C2 123.3(4) . . ?
N1 C1 H1A 118.4 . . ?
C2 C1 H1A 118.4 . . ?
C3 C2 C1 116.6(5) . . ?
C3 C2 H2A 121.7 . . ?
C1 C2 H2A 121.7 . . ?
C2 C3 C11 121.5(5) . . ?
C2 C3 C4 118.4(5) . . ?
C11 C3 C4 120.2(5) . . ?
C5 C4 C3 121.6(5) . . ?
C5 C4 H4A 119.2 . . ?
C3 C4 H4A 119.2 . . ?
C4 C5 N1 120.9(5) . . ?
C4 C5 C6 126.0(5) . . ?
N1 C5 C6 113.0(4) . . ?
N2 C6 C7 119.4(5) . . ?
N2 C6 C5 115.5(4) . . ?
C7 C6 C5 125.0(5) . . ?
C6 C7 C8 119.7(5) . . ?
C6 C7 H7A 120.2 . . ?
C8 C7 H7A 120.2 . . ?
C9 C8 C7 118.1(5) . . ?
C9 C8 C12 123.2(5) . . ?
C7 C8 C12 118.6(5) . . ?
C8 C9 C10 121.4(5) . . ?
C8 C9 H9A 119.3 . . ?
C10 C9 H9A 119.3 . . ?
N2 C10 C9 121.3(4) . . ?
N2 C10 H10E 119.3 . . ?
C9 C10 H10E 119.3 . . ?
O2 C11 O1 122.6(4) . . ?
O2 C11 C3 120.3(4) . . ?
O1 C11 C3 116.9(5) . . ?
O1 C11 La1 82.6(2) . 2_666 ?
C3 C11 La1 160.4(4) . 2_666 ?
O4 C12 O3 126.0(5) . . ?
O4 C12 C8 116.2(4) . . ?
O3 C12 C8 117.8(5) . . ?
C14 C13 N3 120.7(5) . . ?
C14 C13 H13E 119.6 . . ?
N3 C13 H13E 119.6 . . ?
C13 C14 C15 120.9(5) . . ?
C13 C14 H14E 119.5 . . ?
C15 C14 H14E 119.5 . . ?
C16 C15 C14 121.0(5) . . ?
C16 C15 C23 118.3(5) . . ?
C14 C15 C23 120.6(5) . . ?
C15 C16 C17 116.3(6) . . ?
C15 C16 H16E 121.8 . . ?
C17 C16 H16E 121.8 . . ?
N3 C17 C16 123.9(5) . . ?
N3 C17 C18 114.5(4) . . ?
C16 C17 C18 121.5(5) . . ?
C19 C18 N4 119.7(4) . . ?
C19 C18 C17 126.7(5) . . ?
N4 C18 C17 113.1(4) . . ?
C20 C19 C18 121.0(5) . . ?
C20 C19 H19E 119.5 . . ?
C18 C19 H19E 119.5 . . ?
C21 C20 C19 119.4(5) . . ?
C21 C20 C24 122.3(5) . . ?
C19 C20 C24 117.6(5) . . ?
C20 C21 C22 117.5(5) . . ?
C20 C21 H21D 121.3 . . ?
C22 C21 H21D 121.3 . . ?
N4 C22 C21 129.6(5) . . ?
N4 C22 H22C 115.2 . . ?
C21 C22 H22C 115.2 . . ?
O6 C23 O5 123.3(5) . . ?
O6 C23 C15 116.3(5) . . ?
O5 C23 C15 120.3(5) . . ?
O7 C24 O8 123.0(4) . . ?
O7 C24 C20 120.9(5) . . ?
O8 C24 C20 116.1(4) . . ?
N5 C25 C26 121.7(5) . . ?
N5 C25 H25E 119.1 . . ?
C26 C25 H25E 119.1 . . ?
C27 C26 C25 118.7(6) . . ?
C27 C26 H26A 120.6 . . ?
C25 C26 H26A 120.6 . . ?
C26 C27 C28 120.9(5) . . ?
C26 C27 C35 123.5(5) . . ?
C28 C27 C35 115.6(5) . . ?
C29 C28 C27 115.6(5) . . ?
C29 C28 H28A 122.2 . . ?
C27 C28 H28A 122.2 . . ?
C28 C29 N5 122.6(4) . . ?
C28 C29 C30 123.1(5) . . ?
N5 C29 C30 114.1(4) . . ?
C31 C30 N6 120.7(4) . . ?
C31 C30 C29 125.0(5) . . ?
N6 C30 C29 114.3(4) . . ?
C30 C31 C32 119.0(5) . . ?
C30 C31 H31A 120.5 . . ?
C32 C31 H31A 120.5 . . ?
C33 C32 C31 117.8(5) . . ?
C33 C32 C36 118.3(5) . . ?
C31 C32 C36 123.6(5) . . ?
C34 C33 C32 122.4(5) . . ?
C34 C33 H33A 118.8 . . ?
C32 C33 H33A 118.8 . . ?
C33 C34 N6 120.0(5) . . ?
C33 C34 H34A 120.0 . . ?
N6 C34 H34A 120.0 . . ?
O9 C35 O10 123.1(5) . . ?
O9 C35 C27 116.6(5) . . ?
O10 C35 C27 120.2(5) . . ?
O12 C36 O11 123.8(4) . . ?
O12 C36 C32 122.8(5) . . ?
O11 C36 C32 112.6(4) . . ?
N1 Co1 N2 85.5(2) . . ?
N1 Co1 N4 91.44(19) . . ?
N2 Co1 N4 84.8(2) . . ?
N1 Co1 N3 175.76(19) . . ?
N2 Co1 N3 91.76(18) . . ?
N4 Co1 N3 85.07(18) . . ?
N1 Co1 N5 96.2(2) . . ?
N2 Co1 N5 178.29(19) . . ?
N4 Co1 N5 95.2(2) . . ?
N3 Co1 N5 86.54(18) . . ?
N1 Co1 N6 90.28(18) . . ?
N2 Co1 N6 96.53(19) . . ?
N4 Co1 N6 177.88(19) . . ?
N3 Co1 N6 93.26(17) . . ?
N5 Co1 N6 83.33(18) . . ?
O12 La1 O10 83.29(14) 2_676 2_776 ?
O12 La1 O1 74.98(13) 2_676 . ?
O10 La1 O1 86.05(14) 2_776 . ?
O12 La1 O2 79.26(14) 2_676 2_666 ?
O10 La1 O2 143.22(13) 2_776 2_666 ?
O1 La1 O2 119.58(14) . 2_666 ?
O12 La1 O2W 138.43(14) 2_676 . ?
O10 La1 O2W 100.75(14) 2_776 . ?
O1 La1 O2W 146.19(14) . . ?
O2 La1 O2W 73.16(15) 2_666 . ?
O12 La1 O3W 143.45(14) 2_676 . ?
O10 La1 O3W 72.09(13) 2_776 . ?
O1 La1 O3W 76.72(14) . . ?
O2 La1 O3W 135.70(14) 2_666 . ?
O2W La1 O3W 74.12(15) . . ?
O12 La1 O11 122.06(14) 2_676 1_545 ?
O10 La1 O11 140.29(13) 2_776 1_545 ?
O1 La1 O11 73.85(14) . 1_545 ?
O2 La1 O11 75.63(13) 2_666 1_545 ?
O2W La1 O11 80.41(14) . 1_545 ?
O3W La1 O11 70.15(14) . 1_545 ?
O12 La1 O1W 73.62(13) 2_676 . ?
O10 La1 O1W 69.99(13) 2_776 . ?
O1 La1 O1W 142.23(13) . . ?
O2 La1 O1W 74.10(13) 2_666 . ?
O2W La1 O1W 69.31(14) . . ?
O3W La1 O1W 119.85(14) . . ?
O11 La1 O1W 142.04(12) 1_545 . ?
O12 La1 C11 69.86(10) 2_676 2_666 ?
O10 La1 C11 150.14(10) 2_776 2_666 ?
O1 La1 C11 98.91(11) . 2_666 ?
O2 La1 C11 20.74(10) 2_666 2_666 ?
O2W La1 C11 91.41(11) . 2_666 ?
O3W La1 C11 137.76(10) . 2_666 ?
O11 La1 C11 68.36(10) 1_545 2_666 ?
O1W La1 C11 89.51(10) . 2_666 ?
O5 La2 O4 77.88(13) 1_445 2_565 ?
O5 La2 O7 144.08(14) 1_445 2_665 ?
O4 La2 O7 72.60(12) 2_565 2_665 ?
O5 La2 O5W 110.39(14) 1_445 . ?
O4 La2 O5W 142.52(15) 2_565 . ?
O7 La2 O5W 82.85(14) 2_665 . ?
O5 La2 O3 138.16(14) 1_445 . ?
O4 La2 O3 119.87(13) 2_565 . ?
O7 La2 O3 75.89(13) 2_665 . ?
O5W La2 O3 79.16(14) . . ?
O5 La2 O8 71.66(13) 1_445 1_455 ?
O4 La2 O8 77.69(14) 2_565 1_455 ?
O7 La2 O8 119.94(12) 2_665 1_455 ?
O5W La2 O8 139.77(15) . 1_455 ?
O3 La2 O8 75.79(13) . 1_455 ?
O5 La2 O6W 75.90(14) 1_445 . ?
O4 La2 O6W 70.23(14) 2_565 . ?
O7 La2 O6W 75.17(13) 2_665 . ?
O5W La2 O6W 76.46(15) . . ?
O3 La2 O6W 144.02(13) . . ?
O8 La2 O6W 138.20(14) 1_455 . ?
O5 La2 O4W 69.52(14) 1_445 . ?
O4 La2 O4W 142.22(14) 2_565 . ?
O7 La2 O4W 144.32(14) 2_665 . ?
O5W La2 O4W 69.59(14) . . ?
O3 La2 O4W 77.00(13) . . ?
O8 La2 O4W 74.40(13) 1_455 . ?
O6W La2 O4W 117.53(14) . . ?
C5 N1 C1 118.9(3) . . ?
C5 N1 Co1 113.4(3) . . ?
C1 N1 Co1 127.7(3) . . ?
C6 N2 C10 119.8(4) . . ?
C6 N2 Co1 110.3(3) . . ?
C10 N2 Co1 128.1(3) . . ?
C17 N3 C13 117.1(3) . . ?
C17 N3 Co1 114.2(3) . . ?
C13 N3 Co1 128.4(3) . . ?
C22 N4 C18 112.7(3) . . ?
C22 N4 Co1 135.0(3) . . ?
C18 N4 Co1 112.3(3) . . ?
C25 N5 C29 120.1(3) . . ?
C25 N5 Co1 125.7(3) . . ?
C29 N5 Co1 113.9(3) . . ?
C34 N6 C30 119.9(3) . . ?
C34 N6 Co1 126.6(3) . . ?
C30 N6 Co1 113.5(2) . . ?
C11 O1 La1 178.4(3) . . ?
C11 O2 La1 119.2(2) . 2_666 ?
C12 O3 La2 141.4(3) . . ?
C12 O4 La2 144.6(3) . 2_565 ?
C23 O5 La2 137.9(3) . 1_665 ?
C24 O7 La2 178.2(3) . 2_665 ?
C24 O8 La2 116.4(2) . 1_655 ?
C35 O10 La1 145.1(3) . 2_776 ?
C36 O11 La1 141.3(2) . 1_565 ?
C36 O12 La1 144.8(3) . 2_676 ?
La1 O1W H1X 110.4 . . ?
La1 O1W H1Y 109.7 . . ?
H1X O1W H1Y 108.2 . . ?
La1 O2W H2X 110.9 . . ?
La1 O2W H2Y 109.0 . . ?
H2X O2W H2Y 108.5 . . ?
La1 O3W H3X 108.1 . . ?
La1 O3W H3Y 110.6 . . ?
H3X O3W H3Y 109.8 . . ?
La2 O4W H4X 109.8 . . ?
La2 O4W H4Y 110.6 . . ?
H4X O4W H4Y 108.4 . . ?
La2 O5W H5X 108.1 . . ?
La2 O5W H5Y 109.5 . . ?
H5X O5W H5Y 110.8 . . ?
La2 O6W H6X 107.7 . . ?
La2 O6W H6Y 121.2 . . ?
H6X O6W H6Y 103.4 . . ?
O73 N7 O71 121.2(5) . . ?
O73 N7 O72 117.9(5) . . ?
O71 N7 O72 120.9(5) . . ?
O82 N8 O83 121.6(6) . . ?
O82 N8 O81 115.5(5) . . ?
O83 N8 O81 122.6(6) . . ?
O91 N9 O92 121.1(5) . . ?
O91 N9 O93 119.9(5) . . ?
O92 N9 O93 119.0(5) . . ?
H7X O7W H7Y 106.1 . . ?
H8X O8W H8Y 108.9 . . ?
H9X O9W H9Y 109.2 . . ?
H10X O10W H10Y 109.7 . . ?
H11X O11W H11Y 109.9 . . ?
H12X O12W H12Y 109.2 . . ?
H13X O13W H13Y 110.0 . . ?
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
C1 N1 1.396(5) . ?
C1 C2 1.458(8) . ?
C1 H1A 0.9300 . ?
C2 C3 1.347(8) . ?
C2 H2A 0.9300 . ?
C3 C11 1.499(7) . ?
C3 C4 1.505(7) . ?
C4 C5 1.343(7) . ?
C4 H4A 0.9300 . ?
C5 N1 1.351(5) . ?
C5 C6 1.461(8) . ?
C6 N2 1.326(5) . ?
C6 C7 1.442(8) . ?
C7 C8 1.458(7) . ?
C7 H7A 0.9300 . ?
C8 C9 1.289(8) . ?
C8 C12 1.524(8) . ?
C9 C10 1.424(8) . ?
C9 H9A 0.9300 . ?
C10 N2 1.382(5) . ?
C10 H10E 0.9300 . ?
C11 O2 1.270(6) . ?
C11 O1 1.271(5) . ?
C11 La1 3.130(5) 2_666 ?
C12 O4 1.212(6) . ?
C12 O3 1.219(5) . ?
C13 C14 1.318(7) . ?
C13 N3 1.434(6) . ?
C13 H13E 0.9300 . ?
C14 C15 1.421(7) . ?
C14 H14E 0.9300 . ?
C15 C16 1.370(7) . ?
C15 C23 1.466(8) . ?
C16 C17 1.413(7) . ?
C16 H16E 0.9300 . ?
C17 N3 1.360(5) . ?
C17 C18 1.474(7) . ?
C18 C19 1.427(8) . ?
C18 N4 1.437(5) . ?
C19 C20 1.347(8) . ?
C19 H19E 0.9300 . ?
C20 C21 1.342(8) . ?
C20 C24 1.475(7) . ?
C21 C22 1.385(7) . ?
C21 H21D 0.9300 . ?
C22 N4 1.293(5) . ?
C22 H22C 0.9300 . ?
C23 O6 1.269(7) . ?
C23 O5 1.296(6) . ?
C24 O7 1.246(5) . ?
C24 O8 1.302(5) . ?
C25 N5 1.348(5) . ?
C25 C26 1.390(8) . ?
C25 H25E 0.9300 . ?
C26 C27 1.373(9) . ?
C26 H26A 0.9300 . ?
C27 C28 1.480(7) . ?
C27 C35 1.508(8) . ?
C28 C29 1.368(7) . ?
C28 H28A 0.9300 . ?
C29 N5 1.393(5) . ?
C29 C30 1.450(7) . ?
C30 C31 1.376(8) . ?
C30 N6 1.408(5) . ?
C31 C32 1.410(7) . ?
C31 H31A 0.9300 . ?
C32 C33 1.405(7) . ?
C32 C36 1.524(7) . ?
C33 C34 1.344(8) . ?
C33 H33A 0.9300 . ?
C34 N6 1.360(5) . ?
C34 H34A 0.9300 . ?
C35 O9 1.228(6) . ?
C35 O10 1.267(5) . ?
C36 O12 1.181(6) . ?
C36 O11 1.297(6) . ?
Co1 N1 1.869(4) . ?
Co1 N2 1.925(5) . ?
Co1 N4 1.925(5) . ?
Co1 N3 1.938(4) . ?
Co1 N5 1.959(4) . ?
Co1 N6 1.960(4) . ?
La1 O12 2.282(4) 2_676 ?
La1 O10 2.294(4) 2_776 ?
La1 O1 2.304(4) . ?
La1 O2 2.308(4) 2_666 ?
La1 O2W 2.393(4) . ?
La1 O3W 2.395(4) . ?
La1 O11 2.459(4) 1_545 ?
La1 O1W 2.523(4) . ?
La1 C11 3.130(5) 2_666 ?
La2 O5 2.326(4) 1_445 ?
La2 O4 2.339(4) 2_565 ?
La2 O7 2.351(4) 2_665 ?
La2 O5W 2.356(4) . ?
La2 O3 2.404(4) . ?
La2 O8 2.404(4) 1_455 ?
La2 O6W 2.478(4) . ?
La2 O4W 2.488(4) . ?
O2 La1 2.308(4) 2_666 ?
O4 La2 2.339(4) 2_565 ?
O5 La2 2.326(4) 1_665 ?
O7 La2 2.351(4) 2_665 ?
O8 La2 2.404(4) 1_655 ?
O10 La1 2.294(4) 2_776 ?
O11 La1 2.459(4) 1_565 ?
O12 La1 2.282(4) 2_676 ?
O1W H1X 0.9604 . ?
O1W H1Y 0.9526 . ?
O2W H2X 0.9593 . ?
O2W H2Y 0.9733 . ?
O3W H3X 0.9605 . ?
O3W H3Y 0.9796 . ?
O4W H4X 0.9496 . ?
O4W H4Y 0.9691 . ?
O5W H5X 0.9744 . ?
O5W H5Y 0.9609 . ?
O6W H6X 0.9448 . ?
O6W H6Y 0.7557 . ?
N7 O73 1.212(6) . ?
N7 O71 1.219(6) . ?
N7 O72 1.267(7) . ?
N8 O82 1.224(7) . ?
N8 O83 1.225(6) . ?
N8 O81 1.228(7) . ?
N9 O91 1.180(6) . ?
N9 O92 1.239(6) . ?
N9 O93 1.241(6) . ?
O7W H7X 0.8584 . ?
O7W H7Y 0.8579 . ?
O8W H8X 0.8437 . ?
O8W H8Y 0.8602 . ?
O9W H9X 0.8482 . ?
O9W H9Y 0.8572 . ?
O10W H10X 0.8621 . ?
O10W H10Y 0.8578 . ?
O11W H11X 0.8666 . ?
O11W H11Y 0.8594 . ?
O12W H12X 0.8671 . ?
O12W H12Y 0.8402 . ?
O13W H13X 0.8579 . ?
O13W H13Y 0.8571 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
N1 C1 C2 C3 5.0(8) . . . . ?
C1 C2 C3 C11 175.7(5) . . . . ?
C1 C2 C3 C4 -5.1(8) . . . . ?
C2 C3 C4 C5 1.4(8) . . . . ?
C11 C3 C4 C5 -179.3(5) . . . . ?
C3 C4 C5 N1 3.1(7) . . . . ?
C3 C4 C5 C6 179.7(5) . . . . ?
C4 C5 C6 N2 170.5(5) . . . . ?
N1 C5 C6 N2 -12.7(6) . . . . ?
C4 C5 C6 C7 -7.4(9) . . . . ?
N1 C5 C6 C7 169.4(5) . . . . ?
N2 C6 C7 C8 0.2(8) . . . . ?
C5 C6 C7 C8 178.0(5) . . . . ?
C6 C7 C8 C9 -3.9(8) . . . . ?
C6 C7 C8 C12 -179.9(5) . . . . ?
C7 C8 C9 C10 6.7(9) . . . . ?
C12 C8 C9 C10 -177.4(5) . . . . ?
C8 C9 C10 N2 -6.2(8) . . . . ?
C2 C3 C11 O2 156.2(5) . . . . ?
C4 C3 C11 O2 -23.0(7) . . . . ?
C2 C3 C11 O1 -19.0(7) . . . . ?
C4 C3 C11 O1 161.8(4) . . . . ?
C2 C3 C11 La1 155.9(9) . . . 2_666 ?
C4 C3 C11 La1 -23.3(13) . . . 2_666 ?
C9 C8 C12 O4 -6.1(9) . . . . ?
C7 C8 C12 O4 169.7(5) . . . . ?
C9 C8 C12 O3 176.2(6) . . . . ?
C7 C8 C12 O3 -8.0(8) . . . . ?
N3 C13 C14 C15 2.6(8) . . . . ?
C13 C14 C15 C16 -2.3(8) . . . . ?
C13 C14 C15 C23 -178.3(5) . . . . ?
C14 C15 C16 C17 0.2(8) . . . . ?
C23 C15 C16 C17 176.3(5) . . . . ?
C15 C16 C17 N3 1.5(7) . . . . ?
C15 C16 C17 C18 178.6(5) . . . . ?
N3 C17 C18 C19 178.7(5) . . . . ?
C16 C17 C18 C19 1.3(9) . . . . ?
N3 C17 C18 N4 -10.1(6) . . . . ?
C16 C17 C18 N4 172.5(4) . . . . ?
N4 C18 C19 C20 1.1(8) . . . . ?
C17 C18 C19 C20 171.8(6) . . . . ?
C18 C19 C20 C21 -3.7(9) . . . . ?
C18 C19 C20 C24 -174.4(5) . . . . ?
C19 C20 C21 C22 3.0(8) . . . . ?
C24 C20 C21 C22 173.2(5) . . . . ?
C20 C21 C22 N4 0.4(9) . . . . ?
C16 C15 C23 O6 25.2(8) . . . . ?
C14 C15 C23 O6 -158.6(5) . . . . ?
C16 C15 C23 O5 -152.6(5) . . . . ?
C14 C15 C23 O5 23.5(8) . . . . ?
C21 C20 C24 O7 -179.4(5) . . . . ?
C19 C20 C24 O7 -9.0(8) . . . . ?
C21 C20 C24 O8 -3.0(8) . . . . ?
C19 C20 C24 O8 167.4(5) . . . . ?
N5 C25 C26 C27 -6.2(8) . . . . ?
C25 C26 C27 C28 6.8(9) . . . . ?
C25 C26 C27 C35 -171.2(5) . . . . ?
C26 C27 C28 C29 -4.9(8) . . . . ?
C35 C27 C28 C29 173.2(5) . . . . ?
C27 C28 C29 N5 2.4(7) . . . . ?
C27 C28 C29 C30 175.6(5) . . . . ?
C28 C29 C30 C31 -1.8(9) . . . . ?
N5 C29 C30 C31 172.0(5) . . . . ?
C28 C29 C30 N6 177.7(4) . . . . ?
N5 C29 C30 N6 -8.6(6) . . . . ?
N6 C30 C31 C32 1.7(8) . . . . ?
C29 C30 C31 C32 -178.9(5) . . . . ?
C30 C31 C32 C33 -5.8(8) . . . . ?
C30 C31 C32 C36 179.4(5) . . . . ?
C31 C32 C33 C34 6.5(8) . . . . ?
C36 C32 C33 C34 -178.5(5) . . . . ?
C32 C33 C34 N6 -2.7(8) . . . . ?
C26 C27 C35 O9 -18.6(9) . . . . ?
C28 C27 C35 O9 163.3(5) . . . . ?
C26 C27 C35 O10 164.6(5) . . . . ?
C28 C27 C35 O10 -13.5(8) . . . . ?
C33 C32 C36 O12 -14.0(8) . . . . ?
C31 C32 C36 O12 160.7(5) . . . . ?
C33 C32 C36 O11 176.3(4) . . . . ?
C31 C32 C36 O11 -9.0(8) . . . . ?
C4 C5 N1 C1 -3.4(6) . . . . ?
C6 C5 N1 C1 179.7(4) . . . . ?
C4 C5 N1 Co1 178.7(4) . . . . ?
C6 C5 N1 Co1 1.7(5) . . . . ?
C2 C1 N1 C5 -0.7(7) . . . . ?
C2 C1 N1 Co1 176.9(4) . . . . ?
N2 Co1 N1 C5 5.8(3) . . . . ?
N4 Co1 N1 C5 -78.9(3) . . . . ?
N5 Co1 N1 C5 -174.4(3) . . . . ?
N6 Co1 N1 C5 102.3(3) . . . . ?
N2 Co1 N1 C1 -171.9(4) . . . . ?
N4 Co1 N1 C1 103.4(4) . . . . ?
N5 Co1 N1 C1 7.9(4) . . . . ?
N6 Co1 N1 C1 -75.4(4) . . . . ?
C7 C6 N2 C10 0.5(6) . . . . ?
C5 C6 N2 C10 -177.5(4) . . . . ?
C7 C6 N2 Co1 -165.2(4) . . . . ?
C5 C6 N2 Co1 16.8(5) . . . . ?
C9 C10 N2 C6 2.2(6) . . . . ?
C9 C10 N2 Co1 165.2(4) . . . . ?
N1 Co1 N2 C6 -12.6(3) . . . . ?
N4 Co1 N2 C6 79.2(3) . . . . ?
N3 Co1 N2 C6 164.1(3) . . . . ?
N6 Co1 N2 C6 -102.4(3) . . . . ?
N1 Co1 N2 C10 -176.9(4) . . . . ?
N4 Co1 N2 C10 -85.0(4) . . . . ?
N3 Co1 N2 C10 -0.2(4) . . . . ?
N6 Co1 N2 C10 93.3(4) . . . . ?
C16 C17 N3 C13 -1.1(6) . . . . ?
C18 C17 N3 C13 -178.5(4) . . . . ?
C16 C17 N3 Co1 -175.6(4) . . . . ?
C18 C17 N3 Co1 7.1(5) . . . . ?
C14 C13 N3 C17 -1.0(7) . . . . ?
C14 C13 N3 Co1 172.5(4) . . . . ?
N2 Co1 N3 C17 -86.7(3) . . . . ?
N4 Co1 N3 C17 -2.0(3) . . . . ?
N5 Co1 N3 C17 93.6(3) . . . . ?
N6 Co1 N3 C17 176.7(3) . . . . ?
N2 Co1 N3 C13 99.7(3) . . . . ?
N4 Co1 N3 C13 -175.6(4) . . . . ?
N5 Co1 N3 C13 -80.1(3) . . . . ?
N6 Co1 N3 C13 3.0(3) . . . . ?
C21 C22 N4 C18 -2.8(7) . . . . ?
C21 C22 N4 Co1 179.5(4) . . . . ?
C19 C18 N4 C22 1.9(6) . . . . ?
C17 C18 N4 C22 -170.0(4) . . . . ?
C19 C18 N4 Co1 -179.8(4) . . . . ?
C17 C18 N4 Co1 8.2(5) . . . . ?
N1 Co1 N4 C22 -8.4(5) . . . . ?
N2 Co1 N4 C22 -93.7(5) . . . . ?
N3 Co1 N4 C22 174.0(5) . . . . ?
N5 Co1 N4 C22 88.0(5) . . . . ?
N1 Co1 N4 C18 173.9(3) . . . . ?
N2 Co1 N4 C18 88.6(3) . . . . ?
N3 Co1 N4 C18 -3.6(3) . . . . ?
N5 Co1 N4 C18 -89.7(3) . . . . ?
C26 C25 N5 C29 3.7(6) . . . . ?
C26 C25 N5 Co1 176.8(4) . . . . ?
C28 C29 N5 C25 -1.9(6) . . . . ?
C30 C29 N5 C25 -175.6(4) . . . . ?
C28 C29 N5 Co1 -175.7(4) . . . . ?
C30 C29 N5 Co1 10.5(5) . . . . ?
N1 Co1 N5 C25 89.8(4) . . . . ?
N4 Co1 N5 C25 -2.2(4) . . . . ?
N3 Co1 N5 C25 -87.0(4) . . . . ?
N6 Co1 N5 C25 179.3(4) . . . . ?
N1 Co1 N5 C29 -96.8(3) . . . . ?
N4 Co1 N5 C29 171.2(3) . . . . ?
N3 Co1 N5 C29 86.5(3) . . . . ?
N6 Co1 N5 C29 -7.2(3) . . . . ?
C33 C34 N6 C30 -1.8(6) . . . . ?
C33 C34 N6 Co1 178.4(3) . . . . ?
C31 C30 N6 C34 2.3(7) . . . . ?
C29 C30 N6 C34 -177.2(4) . . . . ?
C31 C30 N6 Co1 -177.9(4) . . . . ?
C29 C30 N6 Co1 2.6(5) . . . . ?
N1 Co1 N6 C34 -81.6(3) . . . . ?
N2 Co1 N6 C34 4.0(3) . . . . ?
N3 Co1 N6 C34 96.1(3) . . . . ?
N5 Co1 N6 C34 -177.8(3) . . . . ?
N1 Co1 N6 C30 98.6(3) . . . . ?
N2 Co1 N6 C30 -175.9(2) . . . . ?
N3 Co1 N6 C30 -83.7(3) . . . . ?
N5 Co1 N6 C30 2.4(2) . . . . ?
O1 C11 O2 La1 -4.9(6) . . . 2_666 ?
C3 C11 O2 La1 -179.8(3) . . . 2_666 ?
O4 C12 O3 La2 21.9(10) . . . . ?
C8 C12 O3 La2 -160.6(3) . . . . ?
O5 La2 O3 C12 -144.6(5) 1_445 . . . ?
O4 La2 O3 C12 -38.4(5) 2_565 . . . ?
O7 La2 O3 C12 21.6(5) 2_665 . . . ?
O5W La2 O3 C12 106.9(5) . . . . ?
O8 La2 O3 C12 -104.9(5) 1_455 . . . ?
O6W La2 O3 C12 58.9(5) . . . . ?
O4W La2 O3 C12 178.2(5) . . . . ?
O3 C12 O4 La2 18.7(11) . . . 2_565 ?
C8 C12 O4 La2 -158.8(4) . . . 2_565 ?
O6 C23 O5 La2 -16.4(8) . . . 1_665 ?
C15 C23 O5 La2 161.3(3) . . . 1_665 ?
O7 C24 O8 La2 8.9(5) . . . 1_655 ?
C20 C24 O8 La2 -167.5(3) . . . 1_655 ?
O9 C35 O10 La1 44.7(8) . . . 2_776 ?
C27 C35 O10 La1 -138.7(4) . . . 2_776 ?
O12 C36 O11 La1 -2.7(9) . . . 1_565 ?
C32 C36 O11 La1 166.9(3) . . . 1_565 ?
O11 C36 O12 La1 -34.9(9) . . . 2_676 ?
C32 C36 O12 La1 156.5(3) . . . 2_676 ?
