#------------------------------------------------------------------------------
#$Date: 2016-01-15 06:05:03 +0200 (Fri, 15 Jan 2016) $
#$Revision: 174472 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/84/7118460.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_7118460
loop_
_publ_author_name
'Fang, Wei-Hui'
'Zhang, Lei'
'Zhang, Jian'
'Yang, Guo-Yu'
_publ_section_title
;
 Halogen dependent symmetry change in two series of wheel cluster organic
 frameworks built from La18 tertiary building units.
;
_journal_issue                   7
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1455
_journal_page_last               1457
_journal_paper_doi               10.1039/c5cc08702c
_journal_volume                  52
_journal_year                    2016
_chemical_formula_sum            'C150 H101 Cu4 I3 La6 N12 O39'
_chemical_formula_weight         4163.79
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           165
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-P 3 2"c'
_symmetry_space_group_name_H-M   'P -3 c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-08-06 deposited with the CCDC.
2015-11-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            2
_cell_length_a                   13.0142(3)
_cell_length_b                   13.0142(3)
_cell_length_c                   51.3233(11)
_cell_measurement_reflns_used    5737
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      74.4690
_cell_measurement_theta_min      3.8920
_cell_volume                     7528.0(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0702
_diffrn_reflns_av_sigmaI/netI    0.0556
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       61
_diffrn_reflns_limit_l_min       -61
_diffrn_reflns_number            15778
_diffrn_reflns_theta_full        68.46
_diffrn_reflns_theta_max         68.46
_diffrn_reflns_theta_min         3.44
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    18.950
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.13141
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.37.35 (release 13-08-2014 CrysAlis171 .NET)
(compiled Aug 13 2014,18:06:01)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            YELLOW
_exptl_crystal_density_diffrn    1.837
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       HEXAGONAL
_exptl_crystal_F_000             4027
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         6.664
_refine_diff_density_min         -3.422
_refine_diff_density_rms         0.331
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     328
_refine_ls_number_reflns         4596
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.1036
_refine_ls_R_factor_gt           0.0955
_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)+(0.1433P)²+226.4572P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2446
_refine_ls_wR_factor_ref         0.2509
_reflns_number_gt                4020
_reflns_number_total             4596
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c5cc08702c2.cif
_cod_data_source_block           FJ-27
_cod_original_sg_symbol_H-M      P-3c1
_cod_database_code               7118460
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z+1/2'
'-x, -x+y, -z+1/2'
'x-y, -y, -z+1/2'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-y, -x, z-1/2'
'x, x-y, z-1/2'
'-x+y, y, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
La' La 0.467(3) 0.185(3) 0.2354(7) 0.109(18) Uiso 0.10 1 d P
La1 La 0.46567(9) 0.17974(9) 0.235630(18) 0.0086(3) Uani 0.90 1 d P
Cu1 Cu 0.6667 0.3333 0.01721(8) 0.0626(15) Uani 1 3 d S
Cu2 Cu 0.0000 0.0000 0.44711(6) 0.0379(10) Uani 1 3 d S
I1 I 0.6667 0.3333 -0.03229(3) 0.0619(7) Uani 1 3 d S
I2 I 0.0000 0.0000 0.5000 0.0420(7) Uani 1 6 d S
C1 C 0.6484(13) 0.1402(12) 0.1868(2) 0.028(3) Uani 1 1 d .
C2 C 0.5631(15) 0.1292(14) 0.1161(3) 0.035(3) Uani 1 1 d .
H2A H 0.5203 0.1543 0.1061 0.043 Uiso 1 1 calc R
C3 C 0.5660(14) 0.1421(13) 0.1426(3) 0.032(3) Uani 1 1 d .
H3A H 0.5246 0.1753 0.1503 0.038 Uiso 1 1 calc R
C4 C 0.6292(12) 0.1068(12) 0.1583(2) 0.027(3) Uani 1 1 d .
C5 C 0.6855(14) 0.0515(14) 0.1463(3) 0.034(3) Uani 1 1 d .
H5A H 0.7263 0.0243 0.1564 0.041 Uiso 1 1 calc R
C6 C 0.6809(14) 0.0371(14) 0.1197(3) 0.037(4) Uani 1 1 d .
H6A H 0.7171 -0.0016 0.1121 0.045 Uiso 1 1 calc R
C7 C 0.6235(14) 0.0790(14) 0.1042(3) 0.034(3) Uani 1 1 d .
C8 C 0.628(2) 0.163(2) 0.0606(3) 0.070(7) Uani 1 1 d .
H8A H 0.6136 0.2177 0.0694 0.084 Uiso 1 1 calc R
C9 C 0.6314(15) 0.0764(14) 0.0752(3) 0.040(4) Uani 1 1 d .
C10 C 0.641(3) -0.008(3) 0.0615(4) 0.096(10) Uani 1 1 d .
H10A H 0.6398 -0.0711 0.0701 0.115 Uiso 1 1 calc R
C11 C 0.652(4) 0.003(3) 0.0345(4) 0.127(15) Uani 1 1 d .
H11A H 0.6568 -0.0552 0.0248 0.152 Uiso 1 1 calc R
C12 C 0.656(3) 0.098(2) 0.0222(3) 0.084(8) Uani 1 1 d .
H12A H 0.6694 0.1071 0.0044 0.101 Uiso 1 1 calc R
C13 C 0.4149(10) 0.1154(10) 0.2932(2) 0.016(2) Uani 1 1 d .
C14 C 0.4424(14) 0.1660(15) 0.3653(3) 0.043(4) Uani 1 1 d .
H14A H 0.4985 0.2190 0.3770 0.051 Uiso 1 1 calc R
C15 C 0.4677(14) 0.1774(15) 0.3392(3) 0.042(4) Uani 1 1 d .
H15A H 0.5403 0.2392 0.3335 0.050 Uiso 1 1 calc R
C16 C 0.3881(12) 0.0993(12) 0.3211(2) 0.023(3) Uani 1 1 d .
C17 C 0.2790(14) 0.0091(13) 0.3303(3) 0.037(4) Uani 1 1 d .
H17A H 0.2235 -0.0447 0.3186 0.044 Uiso 1 1 calc R
C18 C 0.2526(15) -0.0012(14) 0.3564(3) 0.042(4) Uani 1 1 d .
H18A H 0.1790 -0.0610 0.3621 0.051 Uiso 1 1 calc R
C19 C 0.3351(14) 0.0773(13) 0.3745(2) 0.032(3) Uani 1 1 d .
C20 C 0.2387(18) 0.023(2) 0.4536(3) 0.055(5) Uani 1 1 d .
H20A H 0.2165 0.0082 0.4710 0.066 Uiso 1 1 calc R
C21 C 0.3531(18) 0.053(2) 0.4471(3) 0.060(6) Uani 1 1 d .
H21A H 0.4067 0.0596 0.4599 0.072 Uiso 1 1 calc R
C22 C 0.3866(18) 0.0728(18) 0.4214(3) 0.050(4) Uani 1 1 d .
H22A H 0.4636 0.0938 0.4166 0.059 Uiso 1 1 calc R
C23 C 0.3052(15) 0.0614(14) 0.4026(2) 0.036(4) Uani 1 1 d .
C24 C 0.1915(14) 0.0324(14) 0.4111(3) 0.034(3) Uani 1 1 d .
H24A H 0.1364 0.0257 0.3987 0.041 Uiso 1 1 calc R
C25 C 0.3966(13) 0.3966(13) 0.2500 0.014(3) Uani 1 2 d S
C26 C 0.2747(11) 0.2747(11) 0.2500 0.015(3) Uani 1 2 d S
N1 N 0.6425(18) 0.1757(16) 0.0347(3) 0.066(5) Uani 1 1 d .
N2 N 0.1576(13) 0.0136(13) 0.4363(2) 0.039(3) Uani 1 1 d .
O1 O 0.5767(10) 0.1658(9) 0.19731(17) 0.037(2) Uani 1 1 d .
O1W O 0.0000 0.0000 0.3536(9) 0.059(11) Uiso 0.50 3 d SP
O2 O 0.7346(8) 0.1424(9) 0.19779(16) 0.031(2) Uani 1 1 d .
O3 O 0.4942(8) 0.2117(8) 0.28499(17) 0.028(2) Uani 1 1 d .
O4 O 0.3579(9) 0.0290(8) 0.27703(16) 0.027(2) Uani 1 1 d .
O5 O 0.2809(7) 0.1803(7) 0.2482(2) 0.029(2) Uani 1 1 d .
O6 O 0.4880(7) 0.3904(7) 0.24813(16) 0.0198(18) Uani 1 1 d .
O7 O 0.6667 0.3333 0.2458(3) 0.021(3) Uani 1 3 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
La La -1.4094 9.0376 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 '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
O7 La' O5 127.6(15) . .
O7 La' O2 105.6(14) . 3_665
O5 La' O2 73.2(11) . 3_665
O7 La' O1 79.2(11) . .
O5 La' O1 143.3(16) . .
O2 La' O1 75.4(10) 3_665 .
O7 La' O4 146.4(16) . 6
O5 La' O4 83.8(11) . 6
O2 La' O4 93.9(12) 3_665 6
O1 La' O4 79.7(11) . 6
O7 La' O3 69.5(10) . .
O5 La' O3 78.8(10) . .
O2 La' O3 139.3(16) 3_665 .
O1 La' O3 137.8(15) . .
O4 La' O3 112.1(14) 6 .
O7 La' O6 66.7(9) . .
O5 La' O6 64.0(9) . .
O2 La' O6 70.1(10) 3_665 .
O1 La' O6 121.2(14) . .
O4 La' O6 146.8(16) 6 .
O3 La' O6 71.2(9) . .
O7 La' O6 65.8(9) . 2_655
O5 La' O6 142.8(15) . 2_655
O2 La' O6 141.9(15) 3_665 2_655
O1 La' O6 66.6(9) . 2_655
O4 La' O6 81.9(11) 6 2_655
O3 La' O6 75.0(10) . 2_655
O6 La' O6 128.6(14) . 2_655
O7 La' O4 111.6(13) . .
O5 La' O4 69.2(9) . .
O2 La' O4 138.1(15) 3_665 .
O1 La' O4 129.4(15) . .
O4 La' O4 64.6(9) 6 .
O3 La' O4 47.7(7) . .
O6 La' O4 107.7(12) . .
O6 La' O4 73.6(9) 2_655 .
O7 La' La' 32.4(3) . 3_665
O5 La' La' 104.8(16) . 3_665
O2 La' La' 76.9(12) 3_665 3_665
O1 La' La' 86.0(7) . 3_665
O4 La' La' 164.6(9) 6 3_665
O3 La' La' 82.4(8) . 3_665
O6 La' La' 41.0(10) . 3_665
O6 La' La' 97.6(9) 2_655 3_665
O4 La' La' 130.1(7) . 3_665
O7 La' La' 32.4(3) . 2_655
O5 La' La' 158.9(12) . 2_655
O2 La' La' 113.6(9) 3_665 2_655
O1 La' La' 55.1(10) . 2_655
O4 La' La' 114.6(16) 6 2_655
O3 La' La' 84.3(8) . 2_655
O6 La' La' 98.6(9) . 2_655
O6 La' La' 40.0(10) 2_655 2_655
O4 La' La' 108.2(12) . 2_655
La' La' La' 60.000(5) 3_665 2_655
O7 La' La1 33.0(5) . 3_665
O5 La' La1 104.0(11) . 3_665
O2 La' La1 76.5(9) 3_665 3_665
O1 La' La1 86.6(10) . 3_665
O4 La' La1 165.0(13) 6 3_665
O3 La' La1 82.3(9) . 3_665
O6 La' La1 40.2(5) . 3_665
O6 La' La1 98.3(10) 2_655 3_665
O4 La' La1 130.0(11) . 3_665
La' La' La1 0.8(5) 3_665 3_665
La' La' La1 60.8(5) 2_655 3_665
O7 La1 O4 148.0(2) . 6
O7 La1 O5 125.9(3) . .
O4 La1 O5 84.6(3) 6 .
O7 La1 O1 78.7(4) . .
O4 La1 O1 80.7(3) 6 .
O5 La1 O1 142.9(4) . .
O7 La1 O2 103.7(3) . 3_665
O4 La1 O2 94.2(3) 6 3_665
O5 La1 O2 72.5(3) . 3_665
O1 La1 O2 74.9(3) . 3_665
O7 La1 O3 69.2(4) . .
O4 La1 O3 113.8(3) 6 .
O5 La1 O3 78.7(3) . .
O1 La1 O3 138.3(3) . .
O2 La1 O3 137.4(3) 3_665 .
O7 La1 O6 65.98(19) . 2_655
O4 La1 O6 83.5(3) 6 2_655
O5 La1 O6 144.4(3) . 2_655
O1 La1 O6 67.1(3) . 2_655
O2 La1 O6 141.8(3) 3_665 2_655
O3 La1 O6 75.7(3) . 2_655
O7 La1 O6 65.52(18) . .
O4 La1 O6 146.5(3) 6 .
O5 La1 O6 63.1(3) . .
O1 La1 O6 119.4(3) . .
O2 La1 O6 68.8(3) 3_665 .
O3 La1 O6 70.5(3) . .
O6 La1 O6 127.9(3) 2_655 .
O7 La1 O4 112.1(4) . .
O4 La1 O4 65.8(3) 6 .
O5 La1 O4 69.7(3) . .
O1 La1 O4 131.5(3) . .
O2 La1 O4 138.4(3) 3_665 .
O3 La1 O4 48.2(3) . .
O6 La1 O4 74.8(3) 2_655 .
O6 La1 O4 107.4(3) . .
O7 La1 La' 32.6(5) . 2_655
O4 La1 La' 115.7(5) 6 2_655
O5 La1 La' 157.7(6) . 2_655
O1 La1 La' 55.1(5) . 2_655
O2 La1 La' 112.6(6) 3_665 2_655
O3 La1 La' 84.3(5) . 2_655
O6 La1 La' 39.8(5) 2_655 2_655
O6 La1 La' 97.7(5) . 2_655
O4 La1 La' 109.0(5) . 2_655
O7 La1 La' 31.6(5) . 3_665
O4 La1 La' 164.2(5) 6 3_665
O5 La1 La' 103.2(5) . 3_665
O1 La1 La' 85.0(6) . 3_665
O2 La1 La' 75.6(5) 3_665 3_665
O3 La1 La' 81.4(5) . 3_665
O6 La1 La' 97.0(6) 2_655 3_665
O6 La1 La' 40.4(5) . 3_665
O4 La1 La' 129.6(5) . 3_665
La' La1 La' 59.6(5) 2_655 3_665
O7 La1 La1 32.25(11) . 3_665
O4 La1 La1 164.5(2) 6 3_665
O5 La1 La1 102.45(19) . 3_665
O1 La1 La1 85.6(2) . 3_665
O2 La1 La1 75.3(2) 3_665 3_665
O3 La1 La1 81.3(2) . 3_665
O6 La1 La1 97.75(19) 2_655 3_665
O6 La1 La1 39.61(17) . 3_665
O4 La1 La1 129.47(19) . 3_665
La' La1 La1 60.4(5) 2_655 3_665
La' La1 La1 0.8(5) 3_665 3_665
N1 Cu1 N1 103.2(5) . 2_655
N1 Cu1 N1 103.2(5) . 3_665
N1 Cu1 N1 103.2(5) 2_655 3_665
N1 Cu1 I1 115.2(4) . .
N1 Cu1 I1 115.2(4) 2_655 .
N1 Cu1 I1 115.2(4) 3_665 .
N2 Cu2 N2 112.9(3) 3 2
N2 Cu2 N2 112.9(3) 3 .
N2 Cu2 N2 112.9(3) 2 .
N2 Cu2 I2 105.7(3) 3 .
N2 Cu2 I2 105.7(3) 2 .
N2 Cu2 I2 105.7(3) . .
Cu2 I2 Cu2 180.0 . 7_556
O2 C1 O1 125.4(12) . .
O2 C1 C4 117.7(12) . .
O1 C1 C4 116.9(13) . .
C3 C2 C7 120.5(14) . .
C3 C2 H2A 119.8 . .
C7 C2 H2A 119.8 . .
C2 C3 C4 121.5(14) . .
C2 C3 H3A 119.3 . .
C4 C3 H3A 119.3 . .
C3 C4 C5 117.9(12) . .
C3 C4 C1 120.5(13) . .
C5 C4 C1 121.2(13) . .
C6 C5 C4 120.5(14) . .
C6 C5 H5A 119.8 . .
C4 C5 H5A 119.8 . .
C5 C6 C7 121.0(15) . .
C5 C6 H6A 119.5 . .
C7 C6 H6A 119.5 . .
C6 C7 C2 118.4(13) . .
C6 C7 C9 120.7(14) . .
C2 C7 C9 120.8(14) . .
N1 C8 C9 125.0(18) . .
N1 C8 H8A 117.5 . .
C9 C8 H8A 117.5 . .
C10 C9 C8 116.0(16) . .
C10 C9 C7 124.6(16) . .
C8 C9 C7 119.5(15) . .
C9 C10 C11 119(2) . .
C9 C10 H10A 120.5 . .
C11 C10 H10A 120.5 . .
C12 C11 C10 120(2) . .
C12 C11 H11A 120.0 . .
C10 C11 H11A 120.0 . .
N1 C12 C11 121.7(17) . .
N1 C12 H12A 119.1 . .
C11 C12 H12A 119.1 . .
O3 C13 O4 119.4(11) . .
O3 C13 C16 119.9(10) . .
O4 C13 C16 120.8(11) . .
C15 C14 C19 120.9(13) . .
C15 C14 H14A 119.5 . .
C19 C14 H14A 119.5 . .
C14 C15 C16 121.8(14) . .
C14 C15 H15A 119.1 . .
C16 C15 H15A 119.1 . .
C15 C16 C17 117.4(12) . .
C15 C16 C13 121.0(12) . .
C17 C16 C13 121.5(11) . .
C18 C17 C16 120.8(13) . .
C18 C17 H17A 119.6 . .
C16 C17 H17A 119.6 . .
C17 C18 C19 120.8(14) . .
C17 C18 H18A 119.6 . .
C19 C18 H18A 119.6 . .
C14 C19 C18 118.2(12) . .
C14 C19 C23 122.4(13) . .
C18 C19 C23 119.4(14) . .
N2 C20 C21 123.9(14) . .
N2 C20 H20A 118.1 . .
C21 C20 H20A 118.1 . .
C22 C21 C20 118.8(16) . .
C22 C21 H21A 120.6 . .
C20 C21 H21A 120.6 . .
C21 C22 C23 119.8(17) . .
C21 C22 H22A 120.1 . .
C23 C22 H22A 120.1 . .
C22 C23 C24 117.3(13) . .
C22 C23 C19 122.0(15) . .
C24 C23 C19 120.7(13) . .
N2 C24 C23 123.6(14) . .
N2 C24 H24A 118.2 . .
C23 C24 H24A 118.2 . .
O6 C25 O6 126.7(17) . 4
O6 C25 C26 116.7(8) . .
O6 C25 C26 116.7(8) 4 .
O5 C26 O5 126.4(14) . 4
O5 C26 C25 116.8(7) . .
O5 C26 C25 116.8(7) 4 .
C12 N1 C8 118.1(18) . .
C12 N1 Cu1 122.6(13) . .
C8 N1 Cu1 118.7(14) . .
C20 N2 C24 116.7(14) . .
C20 N2 Cu2 122.7(10) . .
C24 N2 Cu2 119.9(11) . .
C1 O1 La1 152.7(9) . .
C1 O1 La' 153.5(12) . .
La1 O1 La' 1.3(9) . .
C1 O2 La' 114.4(12) . 2_655
C1 O2 La1 115.1(8) . 2_655
La' O2 La1 1.0(8) 2_655 2_655
C13 O3 La1 101.1(7) . .
C13 O3 La' 102.2(11) . .
La1 O3 La' 1.3(8) . .
C13 O4 La1 149.4(8) . 6
C13 O4 La' 149.2(11) . 6
La1 O4 La' 0.7(9) 6 6
C13 O4 La1 90.5(7) . .
La1 O4 La1 111.0(3) 6 .
La' O4 La1 111.6(9) 6 .
C13 O4 La' 89.9(10) . .
La1 O4 La' 111.8(8) 6 .
La' O4 La' 112.4(10) 6 .
La1 O4 La' 0.8(8) . .
C26 O5 La' 121.9(11) . .
C26 O5 La1 123.1(8) . .
La' O5 La1 1.3(9) . .
C25 O6 La' 118.2(12) . .
C25 O6 La1 137.3(9) . 3_665
La' O6 La1 99.9(8) . 3_665
C25 O6 La1 118.0(9) . .
La' O6 La1 0.5(8) . .
La1 O6 La1 100.3(3) 3_665 .
C25 O6 La' 138.3(12) . 3_665
La' O6 La' 99.0(15) . 3_665
La1 O6 La' 1.0(8) 3_665 3_665
La1 O6 La' 99.3(8) . 3_665
La' O7 La' 115.2(6) 2_655 .
La' O7 La' 115.2(6) 2_655 3_665
La' O7 La' 115.2(6) . 3_665
La' O7 La1 1.2(9) 2_655 2_655
La' O7 La1 116.4(9) . 2_655
La' O7 La1 114.3(9) 3_665 2_655
La' O7 La1 114.3(9) 2_655 .
La' O7 La1 1.2(9) . .
La' O7 La1 116.4(9) 3_665 .
La1 O7 La1 115.5(2) 2_655 .
La' O7 La1 116.4(9) 2_655 3_665
La' O7 La1 114.3(9) . 3_665
La' O7 La1 1.2(9) 3_665 3_665
La1 O7 La1 115.5(2) 2_655 3_665
La1 O7 La1 115.5(2) . 3_665
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
La' O7 2.40(4) .
La' O5 2.48(4) .
La' O2 2.50(4) 3_665
La' O1 2.50(4) .
La' O4 2.52(4) 6
La' O3 2.57(4) .
La' O6 2.64(4) .
La' O6 2.69(4) 2_655
La' O4 2.79(4) .
La' La' 4.05(6) 3_665
La' La' 4.05(6) 2_655
La' La1 4.05(4) 3_665
La1 O7 2.425(3) .
La1 O4 2.477(9) 6
La1 O5 2.494(9) .
La1 O1 2.500(9) .
La1 O2 2.534(9) 3_665
La1 O3 2.564(8) .
La1 O6 2.658(8) 2_655
La1 O6 2.686(9) .
La1 O4 2.753(9) .
La1 La' 4.05(4) 2_655
La1 La' 4.10(4) 3_665
La1 La1 4.1022(18) 3_665
Cu1 N1 2.114(17) .
Cu1 N1 2.114(18) 2_655
Cu1 N1 2.114(17) 3_665
Cu1 I1 2.540(4) .
Cu2 N2 2.045(14) 3
Cu2 N2 2.045(14) 2
Cu2 N2 2.045(14) .
Cu2 I2 2.715(3) .
I2 Cu2 2.715(3) 7_556
C1 O2 1.243(18) .
C1 O1 1.259(18) .
C1 C4 1.512(17) .
C2 C3 1.368(19) .
C2 C7 1.39(2) .
C2 H2A 0.9300 .
C3 C4 1.38(2) .
C3 H3A 0.9300 .
C4 C5 1.40(2) .
C5 C6 1.374(19) .
C5 H5A 0.9300 .
C6 C7 1.38(2) .
C6 H6A 0.9300 .
C7 C9 1.495(18) .
C8 N1 1.34(2) .
C8 C9 1.38(3) .
C8 H8A 0.9300 .
C9 C10 1.35(3) .
C10 C11 1.39(3) .
C10 H10A 0.9300 .
C11 C12 1.37(3) .
C11 H11A 0.9300 .
C12 N1 1.28(3) .
C12 H12A 0.9300 .
C13 O3 1.233(16) .
C13 O4 1.291(14) .
C13 C16 1.463(17) .
C14 C15 1.37(2) .
C14 C19 1.38(2) .
C14 H14A 0.9300 .
C15 C16 1.386(19) .
C15 H15A 0.9300 .
C16 C17 1.40(2) .
C17 C18 1.372(19) .
C17 H17A 0.9300 .
C18 C19 1.40(2) .
C18 H18A 0.9300 .
C19 C23 1.480(18) .
C20 N2 1.34(2) .
C20 C21 1.38(3) .
C20 H20A 0.9300 .
C21 C22 1.37(2) .
C21 H21A 0.9300 .
C22 C23 1.39(2) .
C22 H22A 0.9300 .
C23 C24 1.40(2) .
C24 N2 1.350(18) .
C24 H24A 0.9300 .
C25 O6 1.236(11) .
C25 O6 1.236(11) 4
C25 C26 1.59(2) .
C26 O5 1.274(11) .
C26 O5 1.274(11) 4
O2 La' 2.50(4) 2_655
O2 La1 2.534(9) 2_655
O4 La1 2.477(9) 6
O4 La' 2.52(4) 6
O6 La1 2.658(8) 3_665
O6 La' 2.69(4) 3_665
O7 La' 2.40(4) 2_655
O7 La' 2.40(4) 3_665
O7 La1 2.425(3) 2_655
O7 La1 2.425(3) 3_665
