#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:00:32 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179088 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/50/4305034.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_4305034
loop_
_publ_author_name
'Jian-Wen Cheng'
'Shou-Tian Zheng'
'Guo-Yu Yang'
_publ_section_title
;
Incorporating Distinct Metal Clusters To Construct Diversity of 3D
Pillared-Layer Lanthanide-Transition-Metal Frameworks
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4930
_journal_page_last               4935
_journal_paper_doi               10.1021/ic800221j
_journal_volume                  47
_journal_year                    2008
_chemical_formula_sum            'C42 H42 Ce2 Cu7 I6 N7 O21'
_chemical_formula_weight         2467.25
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           11
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yb'
_symmetry_space_group_name_H-M   'P 1 21/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 99.522(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   7.1054(3)
_cell_length_b                   24.9477(10)
_cell_length_c                   18.2419(9)
_cell_measurement_reflns_used    8145
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4835
_cell_measurement_theta_min      2.2628
_cell_volume                     3189.1(2)
_computing_cell_refinement       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_collection       'CrystalClear (Rigaku Corp., 2000)'
_computing_data_reduction        'CrystalClear (Rigaku Corp., 2000)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'mercury CCD'
_diffrn_measurement_method       dtprofit.ref
_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  0.0254
_diffrn_reflns_av_sigmaI/netI    0.0243
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            24868
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.26
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  .
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    6.658
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.6909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    2.569
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             2296
_exptl_crystal_size_max          0.2000
_exptl_crystal_size_mid          0.1000
_exptl_crystal_size_min          0.0500
_refine_diff_density_max         1.502
_refine_diff_density_min         -1.997
_refine_diff_density_rms         0.381
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.149
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         7433
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.0409
_refine_ls_R_factor_gt           0.0336
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0461P)²+6.3933P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0858
_refine_ls_wR_factor_ref         0.0949
_reflns_number_gt                6648
_reflns_number_total             7433
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic800221j-file002_1.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               4305034
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
'-x, -y, -z'
'x, -y-1/2, 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
Ce Ce 0.22118(4) 0.401409(11) -0.983800(13) 0.02775(8) Uani 1 1 d . . .
Cu1 Cu -0.25102(12) 0.31684(5) -0.55361(4) 0.0706(3) Uani 1 1 d . . .
Cu2 Cu -0.23017(15) 0.2500 -0.43386(6) 0.0429(2) Uani 1 2 d S . .
Cu3 Cu -0.17371(11) 0.41986(3) -0.43896(4) 0.04463(18) Uani 1 1 d . . .
Cu4 Cu -0.37816(11) 0.50769(3) -0.54422(4) 0.04360(18) Uani 1 1 d . . .
I1 I -0.52523(7) 0.2500 -0.55811(3) 0.03776(12) Uani 1 2 d S . .
I2 I 0.01830(5) 0.329851(13) -0.442865(18) 0.03230(9) Uani 1 1 d . . .
I3 I -0.50922(5) 0.410763(13) -0.529581(18) 0.03171(9) Uani 1 1 d . . .
I4 I 0.0000 0.5000 -0.5000 0.0605(2) Uani 1 2 d S . .
C1 C 0.0535(9) 0.3624(2) -0.8542(3) 0.0386(12) Uani 1 1 d . . .
C2 C -0.0242(8) 0.3514(2) -0.7830(3) 0.0353(11) Uani 1 1 d . . .
C3 C -0.2131(10) 0.3415(3) -0.7829(3) 0.063(2) Uani 1 1 d . . .
H3A H -0.2989 0.3410 -0.8273 0.075 Uiso 1 1 calc R . .
C4 C -0.2759(9) 0.3322(3) -0.7162(3) 0.064(2) Uani 1 1 d . . .
H4A H -0.4049 0.3253 -0.7172 0.077 Uiso 1 1 calc R . .
C5 C 0.0231(9) 0.3433(3) -0.6513(3) 0.0578(19) Uani 1 1 d . . .
H5A H 0.1059 0.3443 -0.6061 0.069 Uiso 1 1 calc R . .
C6 C 0.0961(9) 0.3528(3) -0.7152(3) 0.0541(18) Uani 1 1 d . . .
H6A H 0.2252 0.3602 -0.7130 0.065 Uiso 1 1 calc R . .
C7 C -0.6301(13) 0.2500 -0.1455(4) 0.0406(18) Uani 1 2 d S . .
C8 C -0.5291(11) 0.2500 -0.2134(4) 0.0322(15) Uani 1 2 d S . .
C9 C -0.6328(11) 0.2500 -0.2846(4) 0.0421(19) Uani 1 2 d S . .
H9A H -0.7654 0.2500 -0.2912 0.050 Uiso 1 2 calc SR . .
C10 C -0.5429(11) 0.2500 -0.3457(4) 0.045(2) Uani 1 2 d S . .
H10A H -0.6173 0.2500 -0.3927 0.054 Uiso 1 2 calc SR . .
C11 C -0.2521(12) 0.2500 -0.2721(4) 0.0439(19) Uani 1 2 d S . .
H11A H -0.1196 0.2500 -0.2667 0.053 Uiso 1 2 calc SR . .
C12 C -0.3342(11) 0.2500 -0.2084(4) 0.0428(19) Uani 1 2 d S . .
H12A H -0.2570 0.2500 -0.1620 0.051 Uiso 1 2 calc SR . .
C13 C -0.1441(7) 0.4716(2) -0.0976(3) 0.0287(10) Uani 1 1 d . . .
C14 C -0.1469(6) 0.45943(19) -0.1789(2) 0.0254(9) Uani 1 1 d . . .
C15 C -0.1756(8) 0.4995(2) -0.2313(3) 0.0328(11) Uani 1 1 d . . .
H15A H -0.1942 0.5346 -0.2172 0.039 Uiso 1 1 calc R . .
C16 C -0.1765(8) 0.4871(2) -0.3051(3) 0.0340(11) Uani 1 1 d . . .
H16A H -0.1937 0.5147 -0.3399 0.041 Uiso 1 1 calc R . .
C17 C -0.1274(8) 0.3984(2) -0.2778(3) 0.0345(11) Uani 1 1 d . . .
H17A H -0.1126 0.3634 -0.2934 0.041 Uiso 1 1 calc R . .
C18 C -0.1212(8) 0.4078(2) -0.2031(3) 0.0315(11) Uani 1 1 d . . .
H18A H -0.0999 0.3797 -0.1692 0.038 Uiso 1 1 calc R . .
C19 C -0.3275(8) 0.5671(2) -0.8754(3) 0.0358(12) Uani 1 1 d . . .
C20 C -0.3461(7) 0.5524(2) -0.7969(3) 0.0317(11) Uani 1 1 d . . .
C21 C -0.3262(8) 0.5004(2) -0.7722(3) 0.0390(12) Uani 1 1 d . . .
H21A H -0.3052 0.4730 -0.8045 0.047 Uiso 1 1 calc R . .
C22 C -0.3377(9) 0.4894(2) -0.6990(3) 0.0418(13) Uani 1 1 d . . .
H22A H -0.3205 0.4543 -0.6823 0.050 Uiso 1 1 calc R . .
C23 C -0.3902(8) 0.5777(2) -0.6750(3) 0.0367(12) Uani 1 1 d . . .
H23A H -0.4120 0.6043 -0.6418 0.044 Uiso 1 1 calc R . .
C24 C -0.3776(8) 0.5920(2) -0.7468(3) 0.0374(12) Uani 1 1 d . . .
H24A H -0.3900 0.6277 -0.7616 0.045 Uiso 1 1 calc R . .
N1 N -0.1616(7) 0.3326(2) -0.6507(2) 0.0457(12) Uani 1 1 d . . .
N2 N -0.3520(9) 0.2500 -0.3405(3) 0.0339(13) Uani 1 2 d S . .
N3 N -0.1536(6) 0.43710(17) -0.3288(2) 0.0313(9) Uani 1 1 d . . .
N4 N -0.3725(6) 0.52728(19) -0.6510(2) 0.0340(9) Uani 1 1 d . . .
O1 O -0.0597(7) 0.3703(2) -0.9128(2) 0.0595(13) Uani 1 1 d . . .
OW1 O 0.4544(10) 0.3202(2) -0.9656(3) 0.095(2) Uani 1 1 d . . .
O2 O 0.2307(6) 0.3641(2) -0.8508(2) 0.0545(12) Uani 1 1 d . . .
OW2 O 0.5678(6) 0.42887(19) -0.9416(2) 0.0501(10) Uani 1 1 d . . .
O3 O -0.8050(9) 0.2500 -0.1553(3) 0.0563(17) Uani 1 2 d S . .
OW3 O 0.0639(9) 0.31801(19) -1.0486(3) 0.0738(16) Uani 1 1 d . . .
O4 O -0.5254(9) 0.2500 -0.0836(3) 0.0460(14) Uani 1 2 d S . .
OW4 O -0.1702(17) 0.2500 -0.9904(9) 0.074(5) Uani 0.50 2 d SP . .
O5 O -0.2092(6) 0.51652(15) -0.0831(2) 0.0415(9) Uani 1 1 d . . .
OW5 O 0.3828(15) 0.2500 -0.8383(5) 0.033(2) Uani 0.50 2 d SP . .
O6 O -0.0793(6) 0.43698(15) -0.05058(19) 0.0371(8) Uani 1 1 d . . .
O7 O -0.3012(6) 0.53045(16) -0.91989(19) 0.0436(9) Uani 1 1 d . . .
O8 O -0.3335(7) 0.61552(17) -0.8932(2) 0.0500(11) Uani 1 1 d . . .
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'
Cu Cu 0.3201 1.2651 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ce Ce -0.2486 2.6331 '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
O5 Ce O6 80.90(13) 3_564 1_554 ?
O5 Ce O8 129.52(14) 3_564 3_563 ?
O6 Ce O8 89.79(14) 1_554 3_563 ?
O5 Ce OW2 74.34(14) 3_564 . ?
O6 Ce OW2 140.70(14) 1_554 . ?
O8 Ce OW2 83.24(15) 3_563 . ?
O5 Ce OW3 151.96(16) 3_564 . ?
O6 Ce OW3 77.64(17) 1_554 . ?
O8 Ce OW3 68.47(16) 3_563 . ?
OW2 Ce OW3 133.21(16) . . ?
O5 Ce O7 79.27(13) 3_564 3_563 ?
O6 Ce O7 72.15(13) 1_554 3_563 ?
O8 Ce O7 50.91(13) 3_563 3_563 ?
OW2 Ce O7 73.58(14) . 3_563 ?
OW3 Ce O7 110.52(15) . 3_563 ?
O5 Ce O2 80.05(15) 3_564 . ?
O6 Ce O2 118.88(13) 1_554 . ?
O8 Ce O2 143.63(14) 3_563 . ?
OW2 Ce O2 86.53(15) . . ?
OW3 Ce O2 94.73(17) . . ?
O7 Ce O2 154.46(15) 3_563 . ?
O5 Ce OW1 132.58(16) 3_564 . ?
O6 Ce OW1 146.23(16) 1_554 . ?
O8 Ce OW1 72.33(16) 3_563 . ?
OW2 Ce OW1 66.9(2) . . ?
OW3 Ce OW1 69.3(2) . . ?
O7 Ce OW1 113.13(19) 3_563 . ?
O2 Ce OW1 71.55(17) . . ?
O5 Ce O1 84.78(15) 3_564 . ?
O6 Ce O1 71.67(13) 1_554 . ?
O8 Ce O1 138.63(15) 3_563 . ?
OW2 Ce O1 133.99(13) . . ?
OW3 Ce O1 71.51(16) . . ?
O7 Ce O1 142.26(14) 3_563 . ?
O2 Ce O1 49.17(13) . . ?
OW1 Ce O1 102.9(2) . . ?
O5 Ce C19 104.84(15) 3_564 3_563 ?
O6 Ce C19 78.14(14) 1_554 3_563 ?
O8 Ce C19 25.44(15) 3_563 3_563 ?
OW2 Ce C19 79.31(15) . 3_563 ?
OW3 Ce C19 88.22(17) . 3_563 ?
O7 Ce C19 25.63(14) 3_563 3_563 ?
O2 Ce C19 162.96(14) . 3_563 ?
OW1 Ce C19 94.01(19) . 3_563 ?
O1 Ce C19 146.45(14) . 3_563 ?
O5 Ce C1 79.74(14) 3_564 . ?
O6 Ce C1 94.76(14) 1_554 . ?
O8 Ce C1 150.71(15) 3_563 . ?
OW2 Ce C1 109.94(15) . . ?
OW3 Ce C1 84.26(17) . . ?
O7 Ce C1 156.76(14) 3_563 . ?
O2 Ce C1 24.69(14) . . ?
OW1 Ce C1 88.54(19) . . ?
O1 Ce C1 24.62(14) . . ?
C19 Ce C1 170.63(16) 3_563 . ?
N1 Cu1 I1 116.62(15) . . ?
N1 Cu1 I2 111.42(14) . . ?
I1 Cu1 I2 125.02(4) . . ?
N1 Cu1 Cu2 146.89(17) . . ?
I1 Cu1 Cu2 64.39(3) . . ?
I2 Cu1 Cu2 60.83(3) . . ?
N1 Cu1 I3 105.12(17) . . ?
I1 Cu1 I3 91.85(3) . . ?
I2 Cu1 I3 100.23(4) . . ?
Cu2 Cu1 I3 107.94(3) . . ?
N2 Cu2 I2 115.24(11) . . ?
N2 Cu2 I2 115.24(11) . 4_565 ?
I2 Cu2 I2 95.80(4) . 4_565 ?
N2 Cu2 Cu1 134.03(10) . 4_565 ?
I2 Cu2 Cu1 110.67(4) . 4_565 ?
I2 Cu2 Cu1 56.47(2) 4_565 4_565 ?
N2 Cu2 Cu1 134.03(10) . . ?
I2 Cu2 Cu1 56.47(2) . . ?
I2 Cu2 Cu1 110.67(4) 4_565 . ?
Cu1 Cu2 Cu1 75.20(6) 4_565 . ?
N2 Cu2 I1 108.07(19) . . ?
I2 Cu2 I1 111.07(3) . . ?
I2 Cu2 I1 111.07(3) 4_565 . ?
Cu1 Cu2 I1 54.76(3) 4_565 . ?
Cu1 Cu2 I1 54.76(3) . . ?
N3 Cu3 I2 104.75(12) . . ?
N3 Cu3 I3 122.49(12) . . ?
I2 Cu3 I3 108.87(3) . . ?
N3 Cu3 I4 106.84(13) . . ?
I2 Cu3 I4 110.34(3) . . ?
I3 Cu3 I4 103.32(2) . . ?
N4 Cu4 Cu4 139.68(13) . 3_464 ?
N4 Cu4 I3 112.73(14) . . ?
Cu4 Cu4 I3 60.86(3) 3_464 . ?
N4 Cu4 I3 111.28(14) . 3_464 ?
Cu4 Cu4 I3 60.27(3) 3_464 3_464 ?
I3 Cu4 I3 121.14(3) . 3_464 ?
N4 Cu4 I4 97.41(13) . . ?
Cu4 Cu4 I4 122.91(4) 3_464 . ?
I3 Cu4 I4 104.99(3) . . ?
I3 Cu4 I4 105.98(3) 3_464 . ?
Cu1 I1 Cu1 81.46(6) . 4_565 ?
Cu1 I1 Cu2 60.85(2) . . ?
Cu1 I1 Cu2 60.85(2) 4_565 . ?
Cu1 I2 Cu3 78.86(3) . . ?
Cu1 I2 Cu2 62.71(3) . . ?
Cu3 I2 Cu2 106.38(3) . . ?
Cu4 I3 Cu4 58.86(3) . 3_464 ?
Cu4 I3 Cu3 71.91(3) . . ?
Cu4 I3 Cu3 86.20(3) 3_464 . ?
Cu4 I3 Cu1 117.49(3) . . ?
Cu4 I3 Cu1 155.01(3) 3_464 . ?
Cu3 I3 Cu1 70.04(2) . . ?
Cu4 I4 Cu4 180.0 . 3_564 ?
Cu4 I4 Cu3 70.83(2) . . ?
Cu4 I4 Cu3 109.17(2) 3_564 . ?
Cu4 I4 Cu3 109.17(2) . 3_564 ?
Cu4 I4 Cu3 70.83(2) 3_564 3_564 ?
Cu3 I4 Cu3 180.0 . 3_564 ?
O1 C1 O2 122.6(5) . . ?
O1 C1 C2 119.4(5) . . ?
O2 C1 C2 118.0(5) . . ?
O1 C1 Ce 63.4(3) . . ?
O2 C1 Ce 59.8(3) . . ?
C2 C1 Ce 170.8(4) . . ?
C3 C2 C6 117.8(5) . . ?
C3 C2 C1 122.0(5) . . ?
C6 C2 C1 120.1(5) . . ?
C2 C3 C4 119.4(6) . . ?
N1 C4 C3 123.5(6) . . ?
N1 C5 C6 123.2(6) . . ?
C5 C6 C2 119.4(6) . . ?
O3 C7 O4 124.8(8) . . ?
O3 C7 C8 118.8(7) . . ?
O4 C7 C8 116.4(7) . . ?
C12 C8 C9 115.9(7) . . ?
C12 C8 C7 123.3(7) . . ?
C9 C8 C7 120.7(7) . . ?
C10 C9 C8 121.0(7) . . ?
N2 C10 C9 122.8(7) . . ?
N2 C11 C12 123.6(7) . . ?
C8 C12 C11 120.4(7) . . ?
O6 C13 O5 125.4(4) . . ?
O6 C13 C14 118.5(4) . . ?
O5 C13 C14 116.1(4) . . ?
C15 C14 C18 117.9(4) . . ?
C15 C14 C13 120.9(4) . . ?
C18 C14 C13 121.3(4) . . ?
C14 C15 C16 119.6(5) . . ?
N3 C16 C15 122.7(5) . . ?
N3 C17 C18 123.1(5) . . ?
C17 C18 C14 119.3(5) . . ?
O8 C19 O7 122.5(4) . . ?
O8 C19 C20 118.5(5) . . ?
O7 C19 C20 119.0(5) . . ?
O8 C19 Ce 60.7(3) . 3_563 ?
O7 C19 Ce 62.4(3) . 3_563 ?
C20 C19 Ce 169.9(4) . 3_563 ?
C21 C20 C24 118.4(4) . . ?
C21 C20 C19 121.3(5) . . ?
C24 C20 C19 120.2(5) . . ?
C20 C21 C22 119.0(5) . . ?
N4 C22 C21 122.7(5) . . ?
N4 C23 C24 122.8(5) . . ?
C23 C24 C20 119.0(5) . . ?
C4 N1 C5 116.7(5) . . ?
C4 N1 Cu1 123.6(4) . . ?
C5 N1 Cu1 119.7(4) . . ?
C11 N2 C10 116.3(6) . . ?
C11 N2 Cu2 123.4(5) . . ?
C10 N2 Cu2 120.3(5) . . ?
C17 N3 C16 117.4(4) . . ?
C17 N3 Cu3 121.0(3) . . ?
C16 N3 Cu3 121.5(3) . . ?
C23 N4 C22 118.0(4) . . ?
C23 N4 Cu4 122.1(4) . . ?
C22 N4 Cu4 119.8(4) . . ?
C1 O1 Ce 92.0(3) . . ?
C1 O2 Ce 95.5(3) . . ?
C13 O5 Ce 156.2(3) . 3_564 ?
C13 O6 Ce 141.7(3) . 1_556 ?
C19 O7 Ce 91.9(3) . 3_563 ?
C19 O8 Ce 93.8(3) . 3_563 ?
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
Ce O5 2.393(3) 3_564 ?
Ce O6 2.443(4) 1_554 ?
Ce O8 2.538(4) 3_563 ?
Ce OW2 2.550(4) . ?
Ce OW3 2.557(5) . ?
Ce O7 2.575(4) 3_563 ?
Ce O2 2.589(4) . ?
Ce OW1 2.604(5) . ?
Ce O1 2.668(4) . ?
Ce C19 2.903(5) 3_563 ?
Ce C1 2.982(5) . ?
Cu1 N1 2.017(4) . ?
Cu1 I1 2.5554(10) . ?
Cu1 I2 2.5632(9) . ?
Cu1 Cu2 2.7327(12) . ?
Cu1 I3 3.0520(13) . ?
Cu2 N2 2.035(6) . ?
Cu2 I2 2.6849(8) . ?
Cu2 I2 2.6849(8) 4_565 ?
Cu2 Cu1 2.7327(12) 4_565 ?
Cu2 I1 2.8215(12) . ?
Cu3 N3 2.037(4) . ?
Cu3 I2 2.6345(9) . ?
Cu3 I3 2.6765(8) . ?
Cu3 I4 2.6862(8) . ?
Cu4 N4 2.016(4) . ?
Cu4 Cu4 2.5831(13) 3_464 ?
Cu4 I3 2.6207(8) . ?
Cu4 I3 2.6359(8) 3_464 ?
Cu4 I4 2.6815(8) . ?
I1 Cu1 2.5554(10) 4_565 ?
I3 Cu4 2.6359(8) 3_464 ?
I4 Cu4 2.6815(8) 3_564 ?
I4 Cu3 2.6862(8) 3_564 ?
C1 O1 1.243(7) . ?
C1 O2 1.251(7) . ?
C1 C2 1.518(7) . ?
C2 C3 1.365(8) . ?
C2 C6 1.381(8) . ?
C3 C4 1.384(8) . ?
C4 N1 1.328(7) . ?
C5 N1 1.341(8) . ?
C5 C6 1.374(8) . ?
C7 O3 1.226(10) . ?
C7 O4 1.246(10) . ?
C7 C8 1.531(10) . ?
C8 C12 1.373(11) . ?
C8 C9 1.383(11) . ?
C9 C10 1.374(10) . ?
C10 N2 1.344(10) . ?
C11 N2 1.329(10) . ?
C11 C12 1.383(11) . ?
C13 O6 1.250(6) . ?
C13 O5 1.256(6) . ?
C13 C14 1.512(6) . ?
C14 C15 1.374(7) . ?
C14 C18 1.383(6) . ?
C15 C16 1.380(7) . ?
C16 N3 1.339(6) . ?
C17 N3 1.332(7) . ?
C17 C18 1.377(7) . ?
C19 O8 1.250(7) . ?
C19 O7 1.256(7) . ?
C19 C20 1.505(6) . ?
C19 Ce 2.903(5) 3_563 ?
C20 C21 1.374(7) . ?
C20 C24 1.388(7) . ?
C21 C22 1.379(7) . ?
C22 N4 1.338(7) . ?
C23 N4 1.330(7) . ?
C23 C24 1.375(7) . ?
O5 Ce 2.393(3) 3_564 ?
O6 Ce 2.443(4) 1_556 ?
O7 Ce 2.575(4) 3_563 ?
O8 Ce 2.538(4) 3_563 ?
