#------------------------------------------------------------------------------
#$Date: 2016-03-23 22:45:38 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179490 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/87/4338758.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_4338758
loop_
_publ_author_name
'Lampropoulos, Christos'
'Thuijs, Annaliese E.'
'Mitchell, Kylie J.'
'Abboud, Khalil A.'
'Christou, George'
_publ_section_title
;
 Manganese/Cerium Clusters Spanning a Range of Oxidation Levels and CeMn8,
 Ce2Mn4, and Ce6Mn4 Nuclearities: Structural, Magnetic, and EPR
 Properties.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6805
_journal_page_last               6816
_journal_paper_doi               10.1021/ic500617f
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'C48 H62 Ce2 Mn4 N14 O31'
_chemical_formula_weight         1831.12
_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                108.886(1)
_cell_angle_beta                 104.727(1)
_cell_angle_gamma                90.137(1)
_cell_formula_units_Z            1
_cell_length_a                   11.5998(9)
_cell_length_b                   12.0750(9)
_cell_length_c                   13.1809(10)
_cell_measurement_reflns_used    135
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.0
_cell_measurement_theta_min      2.0
_cell_volume                     1682.2(2)
_computing_cell_refinement
'Bruker SMART v5.624 & SAINT 6.36a (Bruker 1998)'
_computing_data_collection       'Bruker SMART v5.624 (Bruker 1998)'
_computing_data_reduction        'Bruker SHELXTL v6.14 (Bruker 2000)'
_computing_molecular_graphics    'Bruker SHELXTL v6.14'
_computing_publication_material  'Bruker SHELXTL v6.14'
_computing_structure_refinement  'Bruker SHELXTL v6.14'
_computing_structure_solution    'Bruker SHELXTL v6.14'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.943
_diffrn_measured_fraction_theta_max 0.943
_diffrn_measurement_device_type  'SMART CCD area detector'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0534
_diffrn_reflns_av_sigmaI/netI    0.0414
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10915
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         1.70
_diffrn_standards_decay_%        1
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    2.149
_exptl_absorpt_correction_T_max  0.9482
_exptl_absorpt_correction_T_min  0.6626
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
'based on measured indexed crystal faces, Bruker SHELXTL  v6.14 (Bruker 1998)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.808
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plates
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.858
_refine_diff_density_min         -0.845
_refine_diff_density_rms         0.112
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     356
_refine_ls_number_reflns         7286
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.109
_refine_ls_R_factor_all          0.0371
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0666P)²+0.1714P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0990
_refine_ls_wR_factor_ref         0.1009
_reflns_number_gt                6631
_reflns_number_total             7286
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic500617f_si_001.cif
_cod_data_source_block           xl25
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 

 Adding full bibliography for 4338756--4338758.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4338758
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
Ce Ce 0.668302(12) 0.469929(12) 0.073469(13) 0.02147(7) Uani 1 1 d . . .
Mn1 Mn 0.55831(4) 0.39023(4) -0.22032(4) 0.02510(11) Uani 1 1 d . . .
Mn2 Mn 0.42122(4) 0.24263(4) -0.11682(4) 0.02556(11) Uani 1 1 d . . .
O1 O 0.49428(18) 0.38878(17) -0.10218(17) 0.0227(4) Uani 1 1 d . . .
O2 O 0.8008(2) 0.5900(3) 0.2667(2) 0.0447(6) Uani 1 1 d . A .
O3 O 0.7896(2) 0.4028(3) 0.2375(2) 0.0441(6) Uani 1 1 d . A .
O4 O 0.9132(3) 0.5226(4) 0.3879(2) 0.0666(10) Uani 1 1 d . A .
O5 O 0.89467(19) 0.45228(19) 0.0791(2) 0.0321(5) Uani 1 1 d . A .
O6 O 0.7792(2) 0.28862(19) 0.0051(2) 0.0334(5) Uani 1 1 d . A .
O7 O 0.9707(3) 0.2862(3) 0.0257(4) 0.0751(12) Uani 1 1 d . A .
O8 O 0.4225(2) 0.3210(2) -0.34670(19) 0.0374(5) Uani 1 1 d . . .
O9 O 0.3395(2) 0.1897(2) -0.2938(2) 0.0373(5) Uani 1 1 d . A .
O10 O 0.6264(2) 0.2197(2) -0.2485(2) 0.0350(5) Uani 1 1 d . . .
O11 O 0.54697(19) 0.14278(18) -0.1450(2) 0.0315(5) Uani 1 1 d . A .
O12 O 0.5384(2) 0.4446(2) 0.2107(2) 0.0323(5) Uani 1 1 d . . .
O13 O 0.53556(19) 0.28872(19) 0.06695(19) 0.0295(5) Uani 1 1 d . A .
O14 O 0.29152(19) 0.32618(18) -0.0810(2) 0.0302(5) Uani 1 1 d . . .
O15 O 0.69780(19) 0.4662(2) -0.10891(18) 0.0292(5) Uani 1 1 d . . .
N1 N 0.8360(3) 0.5057(3) 0.2998(2) 0.0421(7) Uani 1 1 d . . .
N2 N 0.8842(2) 0.3415(3) 0.0362(3) 0.0370(7) Uani 1 1 d . . .
N3 N 0.6505(3) 0.4294(3) -0.3190(3) 0.0378(6) Uani 1 1 d . . .
N4 N 0.3189(6) 0.1098(6) -0.1146(7) 0.0283(19) Uiso 0.535(10) 1 d P A 3
C13 C 0.3491(7) 0.0028(6) -0.1177(8) 0.0298(18) Uiso 0.535(10) 1 d P A 3
H13A H 0.4242 -0.0187 -0.1304 0.036 Uiso 0.535(10) 1 calc PR A 3
C14 C 0.2764(8) -0.0782(8) -0.1034(8) 0.040(2) Uiso 0.535(10) 1 d P A 3
H14A H 0.3003 -0.1544 -0.1077 0.048 Uiso 0.535(10) 1 calc PR A 3
C15 C 0.1671(8) -0.0458(8) -0.0826(9) 0.042(2) Uiso 0.535(10) 1 d P A 3
H15A H 0.1194 -0.0951 -0.0627 0.051 Uiso 0.535(10) 1 calc PR A 3
C16 C 0.1307(7) 0.0590(7) -0.0916(8) 0.0403(17) Uiso 0.535(10) 1 d P A 3
H16A H 0.0516 0.0782 -0.0902 0.048 Uiso 0.535(10) 1 calc PR A 3
C17 C 0.2099(6) 0.1363(6) -0.1027(8) 0.0334(16) Uiso 0.535(10) 1 d P A 3
C18 C 0.1802(6) 0.2528(6) -0.1175(6) 0.0378(18) Uiso 0.535(10) 1 d P A 3
H18A H 0.1409 0.2412 -0.1967 0.045 Uiso 0.535(10) 1 calc PR A 3
H18B H 0.1253 0.2901 -0.0726 0.045 Uiso 0.535(10) 1 calc PR A 3
N4' N 0.3280(7) 0.1135(6) -0.0889(7) 0.0213(18) Uiso 0.465(10) 1 d P A 4
C13' C 0.3626(8) 0.0079(7) -0.0871(8) 0.028(2) Uiso 0.465(10) 1 d P A 4
H13B H 0.4389 -0.0129 -0.0972 0.033 Uiso 0.465(10) 1 calc PR A 4
C14' C 0.2886(7) -0.0706(7) -0.0708(8) 0.0268(19) Uiso 0.465(10) 1 d P A 4
H14B H 0.3111 -0.1471 -0.0746 0.032 Uiso 0.465(10) 1 calc PR A 4
C15' C 0.1841(8) -0.0376(7) -0.0493(8) 0.0283(18) Uiso 0.465(10) 1 d P A 4
H15B H 0.1318 -0.0913 -0.0391 0.034 Uiso 0.465(10) 1 calc PR A 4
C16' C 0.1531(7) 0.0745(7) -0.0420(8) 0.0315(17) Uiso 0.465(10) 1 d P A 4
H16B H 0.0801 0.0989 -0.0259 0.038 Uiso 0.465(10) 1 calc PR A 4
C17' C 0.2285(7) 0.1495(6) -0.0583(8) 0.0269(16) Uiso 0.465(10) 1 d P A 4
C18' C 0.2109(6) 0.2782(6) -0.0420(6) 0.0325(19) Uiso 0.465(10) 1 d P A 4
H18C H 0.1283 0.2852 -0.0824 0.039 Uiso 0.465(10) 1 calc PR A 4
H18D H 0.2223 0.3221 0.0381 0.039 Uiso 0.465(10) 1 calc PR A 4
C1 C 0.3458(3) 0.2369(3) -0.3625(3) 0.0361(7) Uani 1 1 d . A .
C2 C 0.2556(4) 0.1969(4) -0.4756(3) 0.0578(12) Uani 1 1 d . . .
H2A H 0.2077 0.1256 -0.4846 0.087 Uiso 1 1 calc R A .
H2B H 0.2977 0.1800 -0.5339 0.087 Uiso 1 1 calc R . .
H2C H 0.2028 0.2590 -0.4817 0.087 Uiso 1 1 calc R . .
C3 C 0.6183(3) 0.1433(3) -0.2044(3) 0.0333(7) Uani 1 1 d . A .
C4 C 0.6970(4) 0.0439(3) -0.2206(4) 0.0512(10) Uani 1 1 d . . .
H4A H 0.7437 0.0492 -0.2715 0.077 Uiso 1 1 calc R A .
H4B H 0.6472 -0.0312 -0.2521 0.077 Uiso 1 1 calc R . .
H4C H 0.7515 0.0489 -0.1486 0.077 Uiso 1 1 calc R . .
C5 C 0.5059(3) 0.3379(3) 0.1559(3) 0.0317(7) Uani 1 1 d . . .
C6 C 0.4369(8) 0.2706(5) 0.1961(5) 0.112(3) Uani 1 1 d . A .
H6A H 0.3766 0.3181 0.2251 0.168 Uiso 1 1 calc R . .
H6B H 0.4901 0.2483 0.2556 0.168 Uiso 1 1 calc R . .
H6C H 0.3970 0.1996 0.1349 0.168 Uiso 1 1 calc R . .
C7 C 0.6131(4) 0.4133(4) -0.4279(3) 0.0418(8) Uani 1 1 d . A .
H7A H 0.5348 0.3771 -0.4686 0.050 Uiso 1 1 calc R . .
C8 C 0.6854(4) 0.4479(5) -0.4823(4) 0.0588(12) Uani 1 1 d . . .
H8A H 0.6549 0.4395 -0.5595 0.071 Uiso 1 1 d R A .
C9 C 0.7972(7) 0.5181(8) -0.4177(6) 0.0502(17) Uiso 0.618(7) 1 d P A 1
H9A H 0.8470 0.5451 -0.4536 0.060 Uiso 0.618(7) 1 calc PR A 1
C10 C 0.8311(7) 0.5457(8) -0.3030(7) 0.0581(19) Uiso 0.618(7) 1 d P A 1
H10A H 0.9045 0.5911 -0.2587 0.070 Uiso 0.618(7) 1 calc PR A 1
C11 C 0.7552(6) 0.5055(7) -0.2561(6) 0.0426(15) Uiso 0.618(7) 1 d P A 1
C12 C 0.7807(7) 0.5369(7) -0.1308(7) 0.057(2) Uiso 0.618(7) 1 d P A 1
H12A H 0.8637 0.5219 -0.0990 0.069 Uiso 0.618(7) 1 calc PR A 1
H12B H 0.7716 0.6212 -0.0963 0.069 Uiso 0.618(7) 1 calc PR A 1
C9' C 0.7966(9) 0.4646(11) -0.4377(9) 0.040(2) Uiso 0.382(7) 1 d P A 2
H9'A H 0.8490 0.4678 -0.4818 0.048 Uiso 0.382(7) 1 calc PR A 2
C10' C 0.8449(8) 0.4785(9) -0.3260(8) 0.036(2) Uiso 0.382(7) 1 d P A 2
H10B H 0.9263 0.5068 -0.2888 0.043 Uiso 0.382(7) 1 calc PR A 2
C11' C 0.7677(6) 0.4489(7) -0.2715(6) 0.0202(16) Uiso 0.382(7) 1 d P A 2
C12' C 0.8041(7) 0.4520(7) -0.1523(7) 0.0284(19) Uiso 0.382(7) 1 d P A 2
H12C H 0.8385 0.3781 -0.1483 0.034 Uiso 0.382(7) 1 calc PR A 2
H12D H 0.8657 0.5184 -0.1069 0.034 Uiso 0.382(7) 1 calc PR A 2
O16 O 0.7437(7) 0.6651(7) -0.0906(7) 0.058(2) Uiso 0.382(7) 1 d P A 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'
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'
Mn Mn 0.3368 0.7283 '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
O14 Ce O15 71.08(7) 2_665 .
O14 Ce O1 102.51(7) 2_665 .
O15 Ce O1 61.08(7) . .
O14 Ce O2 70.51(9) 2_665 .
O15 Ce O2 126.20(8) . .
O1 Ce O2 164.21(8) . .
O14 Ce O1 61.57(7) 2_665 2_665
O15 Ce O1 103.41(7) . 2_665
O1 Ce O1 74.55(7) . 2_665
O2 Ce O1 89.75(8) . 2_665
O14 Ce O6 129.38(7) 2_665 .
O15 Ce O6 73.19(8) . .
O1 Ce O6 90.04(7) . .
O2 Ce O6 105.37(8) . .
O1 Ce O6 163.50(7) 2_665 .
O14 Ce O5 85.00(7) 2_665 .
O15 Ce O5 70.70(7) . .
O1 Ce O5 124.68(7) . .
O2 Ce O5 69.79(8) . .
O1 Ce O5 145.47(7) 2_665 .
O6 Ce O5 49.56(7) . .
O14 Ce O3 118.74(9) 2_665 .
O15 Ce O3 134.54(8) . .
O1 Ce O3 138.54(8) . .
O2 Ce O3 49.29(9) . .
O1 Ce O3 120.53(8) 2_665 .
O6 Ce O3 67.71(9) . .
O5 Ce O3 66.61(8) . .
O14 Ce O13 155.16(7) 2_665 .
O15 Ce O13 115.69(7) . .
O1 Ce O13 65.30(7) . .
O2 Ce O13 115.12(8) . .
O1 Ce O13 93.76(6) 2_665 .
O6 Ce O13 74.04(7) . .
O5 Ce O13 119.83(7) . .
O3 Ce O13 74.85(8) . .
O14 Ce O12 115.37(7) 2_665 .
O15 Ce O12 154.76(7) . .
O1 Ce O12 93.85(7) . .
O2 Ce O12 77.31(8) . .
O1 Ce O12 63.94(7) 2_665 .
O6 Ce O12 112.34(7) . .
O5 Ce O12 132.46(7) . .
O3 Ce O12 65.96(7) . .
O13 Ce O12 48.25(7) . .
O14 Ce N2 107.82(7) 2_665 .
O15 Ce N2 70.86(8) . .
O1 Ce N2 108.92(8) . .
O2 Ce N2 86.83(9) . .
O1 Ce N2 169.37(7) 2_665 .
O6 Ce N2 24.88(7) . .
O5 Ce N2 24.70(7) . .
O3 Ce N2 63.86(9) . .
O13 Ce N2 96.81(7) . .
O12 Ce N2 124.82(8) . .
O14 Ce N1 94.15(9) 2_665 .
O15 Ce N1 133.84(8) . .
O1 Ce N1 161.40(8) . .
O2 Ce N1 24.47(9) . .
O1 Ce N1 107.06(8) 2_665 .
O6 Ce N1 85.65(8) . .
O5 Ce N1 64.46(8) . .
O3 Ce N1 24.89(9) . .
O13 Ce N1 96.14(9) . .
O12 Ce N1 71.28(8) . .
N2 Ce N1 73.01(9) . .
O15 Mn1 O1 85.92(9) . .
O15 Mn1 O8 172.64(10) . .
O1 Mn1 O8 100.89(10) . .
O15 Mn1 N3 81.78(11) . .
O1 Mn1 N3 165.70(11) . .
O8 Mn1 N3 91.10(12) . .
O15 Mn1 O10 92.89(10) . .
O1 Mn1 O10 96.75(9) . .
O8 Mn1 O10 89.10(10) . .
N3 Mn1 O10 91.15(11) . .
O15 Mn1 O12 95.69(9) . 2_665
O1 Mn1 O12 83.84(9) . 2_665
O8 Mn1 O12 82.39(10) . 2_665
N3 Mn1 O12 90.13(11) . 2_665
O10 Mn1 O12 171.42(9) . 2_665
O15 Mn1 Mn2 106.64(7) . .
O1 Mn1 Mn2 32.13(6) . .
O8 Mn1 Mn2 80.71(8) . .
N3 Mn1 Mn2 160.93(9) . .
O10 Mn1 Mn2 71.66(7) . .
O12 Mn1 Mn2 105.66(6) 2_665 .
O15 Mn1 Ce 42.11(7) . .
O1 Mn1 Ce 44.08(6) . .
O8 Mn1 Ce 144.90(8) . .
N3 Mn1 Ce 123.87(9) . .
O10 Mn1 Ce 92.76(7) . .
O12 Mn1 Ce 93.57(6) 2_665 .
Mn2 Mn1 Ce 66.780(13) . .
O1 Mn2 O14 86.13(9) . .
O1 Mn2 O11 100.63(9) . .
O14 Mn2 O11 172.37(10) . .
O1 Mn2 N4 167.1(2) . .
O14 Mn2 N4 81.4(2) . .
O11 Mn2 N4 91.7(2) . .
O1 Mn2 N4' 162.3(2) . .
O14 Mn2 N4' 81.0(2) . .
O11 Mn2 N4' 91.7(2) . .
N4 Mn2 N4' 8.7(3) . .
O1 Mn2 O9 96.42(9) . .
O14 Mn2 O9 93.37(10) . .
O11 Mn2 O9 89.41(10) . .
N4 Mn2 O9 87.7(2) . .
N4' Mn2 O9 96.4(2) . .
O1 Mn2 O13 82.66(9) . .
O14 Mn2 O13 95.23(9) . .
O11 Mn2 O13 82.26(9) . .
N4 Mn2 O13 95.1(2) . .
N4' Mn2 O13 86.5(2) . .
O9 Mn2 O13 171.27(9) . .
O1 Mn2 Mn1 32.25(6) . .
O14 Mn2 Mn1 107.10(7) . .
O11 Mn2 Mn1 80.53(7) . .
N4 Mn2 Mn1 157.5(2) . .
N4' Mn2 Mn1 165.3(2) . .
O9 Mn2 Mn1 71.24(7) . .
O13 Mn2 Mn1 104.63(6) . .
O1 Mn2 Ce 44.71(6) . 2_665
O14 Mn2 Ce 41.78(6) . 2_665
O11 Mn2 Ce 145.27(7) . 2_665
N4 Mn2 Ce 123.1(2) . 2_665
N4' Mn2 Ce 122.5(2) . 2_665
O9 Mn2 Ce 92.26(7) . 2_665
O13 Mn2 Ce 93.12(5) . 2_665
Mn1 Mn2 Ce 67.317(13) . 2_665
Mn2 O1 Mn1 115.62(10) . .
Mn2 O1 Ce 113.12(9) . .
Mn1 O1 Ce 104.94(8) . .
Mn2 O1 Ce 104.10(8) . 2_665
Mn1 O1 Ce 113.35(9) . 2_665
Ce O1 Ce 105.45(7) . 2_665
N1 O2 Ce 98.3(2) . .
N1 O3 Ce 94.79(19) . .
N2 O5 Ce 95.31(17) . .
N2 O6 Ce 97.46(17) . .
C1 O8 Mn1 128.4(2) . .
C1 O9 Mn2 131.1(2) . .
C3 O10 Mn1 130.5(2) . .
C3 O11 Mn2 129.3(2) . .
C5 O12 Mn1 132.0(2) . 2_665
C5 O12 Ce 93.84(19) . .
Mn1 O12 Ce 96.73(8) 2_665 .
C5 O13 Mn2 128.9(2) . .
C5 O13 Ce 97.37(18) . .
Mn2 O13 Ce 97.02(8) . .
C18' O14 C18 37.6(4) . .
C18' O14 Mn2 119.7(3) . .
C18 O14 Mn2 113.4(3) . .
C18' O14 Ce 130.9(3) . 2_665
C18 O14 Ce 130.6(3) . 2_665
Mn2 O14 Ce 107.61(9) . 2_665
C12 O15 C12' 41.5(4) . .
C12 O15 Mn1 120.3(4) . .
C12' O15 Mn1 111.6(3) . .
C12 O15 Ce 129.3(3) . .
C12' O15 Ce 132.0(3) . .
Mn1 O15 Ce 107.63(9) . .
O4 N1 O2 121.1(4) . .
O4 N1 O3 121.6(4) . .
O2 N1 O3 117.3(3) . .
O4 N1 Ce 173.7(3) . .
O2 N1 Ce 57.24(16) . .
O3 N1 Ce 60.32(16) . .
O7 N2 O5 121.8(3) . .
O7 N2 O6 120.7(3) . .
O5 N2 O6 117.5(2) . .
O7 N2 Ce 176.0(3) . .
O5 N2 Ce 59.98(14) . .
O6 N2 Ce 57.66(14) . .
C11' N3 C7 117.4(4) . .
C11' N3 C11 28.3(3) . .
C7 N3 C11 117.7(4) . .
C11' N3 Mn1 112.4(4) . .
C7 N3 Mn1 128.5(3) . .
C11 N3 Mn1 112.2(3) . .
C13 N4 C17 117.5(7) . .
C13 N4 Mn2 127.6(6) . .
C17 N4 Mn2 114.7(5) . .
N4 C13 C14 123.0(7) . .
N4 C13 H13A 118.5 . .
C14 C13 H13A 118.5 . .
C13 C14 C15 118.5(8) . .
C13 C14 H14A 120.7 . .
C15 C14 H14A 120.7 . .
C16 C15 C14 118.0(8) . .
C16 C15 H15A 121.0 . .
C14 C15 H15A 121.0 . .
C15 C16 C17 119.2(7) . .
C15 C16 H16A 120.4 . .
C17 C16 H16A 120.4 . .
N4 C17 C16 122.9(7) . .
N4 C17 C18 112.0(6) . .
C16 C17 C18 124.7(6) . .
O14 C18 C17 107.3(5) . .
O14 C18 H18A 110.3 . .
C17 C18 H18A 110.3 . .
O14 C18 H18B 110.3 . .
C17 C18 H18B 110.3 . .
H18A C18 H18B 108.5 . .
C13' N4' C17' 119.3(7) . .
C13' N4' Mn2 127.4(6) . .
C17' N4' Mn2 113.0(5) . .
N4' C13' C14' 120.7(8) . .
N4' C13' H13B 119.7 . .
C14' C13' H13B 119.7 . .
C15' C14' C13' 119.3(8) . .
C15' C14' H14B 120.3 . .
C13' C14' H14B 120.3 . .
C14' C15' C16' 119.9(8) . .
C14' C15' H15B 120.1 . .
C16' C15' H15B 120.1 . .
C17' C16' C15' 119.1(7) . .
C17' C16' H16B 120.4 . .
C15' C16' H16B 120.4 . .
N4' C17' C16' 121.0(7) . .
N4' C17' C18' 114.6(6) . .
C16' C17' C18' 124.3(7) . .
O14 C18' C17' 110.5(6) . .
O14 C18' H18C 109.5 . .
C17' C18' H18C 109.5 . .
O14 C18' H18D 109.5 . .
C17' C18' H18D 109.5 . .
H18C C18' H18D 108.1 . .
O9 C1 O8 125.5(3) . .
O9 C1 C2 119.5(3) . .
O8 C1 C2 114.9(4) . .
C1 C2 H2A 109.5 . .
C1 C2 H2B 109.5 . .
H2A C2 H2B 109.5 . .
C1 C2 H2C 109.5 . .
H2A C2 H2C 109.5 . .
H2B C2 H2C 109.5 . .
O10 C3 O11 124.8(3) . .
O10 C3 C4 119.2(3) . .
O11 C3 C4 116.0(3) . .
C3 C4 H4A 109.5 . .
C3 C4 H4B 109.5 . .
H4A C4 H4B 109.5 . .
C3 C4 H4C 109.5 . .
H4A C4 H4C 109.5 . .
H4B C4 H4C 109.5 . .
O12 C5 O13 120.5(3) . .
O12 C5 C6 119.7(3) . .
O13 C5 C6 119.8(3) . .
O12 C5 Ce 62.03(17) . .
O13 C5 Ce 58.50(16) . .
C6 C5 Ce 175.7(4) . .
C5 C6 H6A 109.5 . .
C5 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C5 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
N3 C7 C8 121.5(4) . .
N3 C7 H7A 119.2 . .
C8 C7 H7A 119.2 . .
C9' C8 C7 118.3(6) . .
C9' C8 C9 25.0(5) . .
C7 C8 C9 119.0(5) . .
C9' C8 H8A 119.9 . .
C7 C8 H8A 119.9 . .
C9 C8 H8A 119.9 . .
C10 C9 C8 119.6(7) . .
C10 C9 H9A 120.2 . .
C8 C9 H9A 120.2 . .
C11 C10 C9 117.5(7) . .
C11 C10 H10A 121.2 . .
C9 C10 H10A 121.2 . .
C10 C11 N3 123.3(6) . .
C10 C11 C12 121.6(6) . .
N3 C11 C12 115.1(6) . .
O15 C12 C11 108.1(6) . .
O15 C12 H12A 110.1 . .
C11 C12 H12A 110.1 . .
O15 C12 H12B 110.1 . .
C11 C12 H12B 110.1 . .
H12A C12 H12B 108.4 . .
C8 C9' C10' 121.9(9) . .
C8 C9' H9'A 119.0 . .
C10' C9' H9'A 119.0 . .
C9' C10' C11' 116.5(9) . .
C9' C10' H10B 121.8 . .
C11' C10' H10B 121.8 . .
N3 C11' C10' 120.4(7) . .
N3 C11' C12' 114.4(6) . .
C10' C11' C12' 124.6(7) . .
O15 C12' C11' 109.0(6) . .
O15 C12' H12C 109.9 . .
C11' C12' H12C 109.9 . .
O15 C12' H12D 109.9 . .
C11' C12' H12D 109.9 . .
H12C C12' H12D 108.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ce O14 2.470(2) 2_665
Ce O15 2.499(2) .
Ce O1 2.557(2) .
Ce O2 2.561(3) .
Ce O1 2.563(2) 2_665
Ce O6 2.566(2) .
Ce O5 2.619(2) .
Ce O3 2.628(3) .
Ce O13 2.638(2) .
Ce O12 2.716(2) .
Ce N2 3.012(3) .
Ce N1 3.014(3) .
Mn1 O15 1.879(2) .
Mn1 O1 1.893(2) .
Mn1 O8 1.927(2) .
Mn1 N3 2.039(3) .
Mn1 O10 2.160(2) .
Mn1 O12 2.274(2) 2_665
Mn1 Mn2 3.1984(7) .
Mn2 O1 1.887(2) .
Mn2 O14 1.888(2) .
Mn2 O11 1.927(2) .
Mn2 N4 2.005(7) .
Mn2 N4' 2.074(7) .
Mn2 O9 2.157(3) .
Mn2 O13 2.329(2) .
Mn2 Ce 3.5337(5) 2_665
O1 Ce 2.563(2) 2_665
O2 N1 1.262(4) .
O3 N1 1.273(4) .
O4 N1 1.227(4) .
O5 N2 1.264(4) .
O6 N2 1.278(3) .
O7 N2 1.219(4) .
O8 C1 1.276(4) .
O9 C1 1.233(5) .
O10 C3 1.255(4) .
O11 C3 1.276(4) .
O12 C5 1.257(4) .
O12 Mn1 2.274(2) 2_665
O13 C5 1.265(4) .
O14 C18' 1.382(8) .
O14 C18 1.444(7) .
O14 Ce 2.470(2) 2_665
O15 C12 1.426(8) .
O15 C12' 1.474(8) .
N3 C11' 1.329(8) .
N3 C7 1.337(5) .
N3 C11 1.413(7) .
N4 C13 1.330(10) .
N4 C17 1.339(10) .
C13 C14 1.378(11) .
C13 H13A 0.9500 .
C14 C15 1.396(12) .
C14 H14A 0.9500 .
C15 C16 1.368(11) .
C15 H15A 0.9500 .
C16 C17 1.374(10) .
C16 H16A 0.9500 .
C17 C18 1.511(9) .
C18 H18A 0.9900 .
C18 H18B 0.9900 .
N4' C13' 1.344(11) .
N4' C17' 1.344(10) .
C13' C14' 1.380(12) .
C13' H13B 0.9500 .
C14' C15' 1.346(11) .
C14' H14B 0.9500 .
C15' C16' 1.380(11) .
C15' H15B 0.9500 .
C16' C17' 1.359(10) .
C16' H16B 0.9500 .
C17' C18' 1.520(10) .
C18' H18C 0.9900 .
C18' H18D 0.9900 .
C1 C2 1.514(5) .
C2 H2A 0.9800 .
C2 H2B 0.9800 .
C2 H2C 0.9800 .
C3 C4 1.503(5) .
C4 H4A 0.9800 .
C4 H4B 0.9800 .
C4 H4C 0.9800 .
C5 C6 1.440(5) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C7 C8 1.375(6) .
C7 H7A 0.9500 .
C8 C9' 1.259(11) .
C8 C9 1.446(9) .
C8 H8A 0.9600 .
C9 C10 1.387(11) .
C9 H9A 0.9500 .
C10 C11 1.364(10) .
C10 H10A 0.9500 .
C11 C12 1.518(10) .
C12 H12A 0.9900 .
C12 H12B 0.9900 .
C9' C10' 1.389(14) .
C9' H9'A 0.9500 .
C10' C11' 1.393(12) .
C10' H10B 0.9500 .
C11' C12' 1.506(11) .
C12' H12C 0.9900 .
C12' H12D 0.9900 .
