#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:31:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180014 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/08/7030868.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_7030868
loop_
_publ_author_name
'Zou, Guo-Dong'
'Wang, Ze-Ping'
'Song, Ying'
'Hu, Bing'
'Huang, Xiao-Ying'
_publ_section_title
;
 Syntheses, structures and photocatalytic properties of five new
 praseodymium-antimony oxochlorides: from discrete clusters to 3D
 inorganic-organic hybrid racemic compounds.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10064
_journal_page_last               10073
_journal_paper_doi               10.1039/c4dt00771a
_journal_volume                  43
_journal_year                    2014
_chemical_formula_moiety
' 2(C36 H24 Fe N6 2+), C42 H26 Cl10 O36 Pr4 Sb12,3(C6 H7 N),13(H2 O)'
_chemical_formula_sum            'C132 H121 Cl10 Fe2 N15 O49 Pr4 Sb12'
_chemical_formula_weight         5192.27
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                95.4730(10)
_cell_angle_beta                 91.1120(10)
_cell_angle_gamma                110.914(2)
_cell_formula_units_Z            2
_cell_length_a                   17.7472(3)
_cell_length_b                   19.1035(3)
_cell_length_c                   24.6190(4)
_cell_measurement_reflns_used    24762
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      28.9430
_cell_measurement_theta_min      2.6860
_cell_volume                     7748.4(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
;
_computing_molecular_graphics    'DIAMOND. Version 3.0. Crystal Impact'
_computing_publication_material  'Windows Word 2003'
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Eos'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_unetI/netI     0.0459
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -20
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            65391
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.373
_diffrn_reflns_theta_min         2.310
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    3.724
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.67328
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.28 (release 01-02-2013 CrysAlis171 .NET)
(compiled Feb  1 2013,16:14:44)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'dark red'
_exptl_crystal_density_diffrn    2.225
_exptl_crystal_description       sheet
_exptl_crystal_F_000             4960
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.491
_refine_diff_density_min         -0.989
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2039
_refine_ls_number_reflns         31643
_refine_ls_number_restraints     417
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0574
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0367P)²+32.5010P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0894
_refine_ls_wR_factor_ref         0.0994
_reflns_Friedel_coverage         0.000
_reflns_number_gt                25244
_reflns_number_total             31643
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4dt00771a2.cif
_cod_data_source_block           compound-4
_cod_depositor_comments
'Adding full bibliography for 7030865--7030869.cif.'
_cod_database_code               7030868
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelxl_version_number           2013-4
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 0.56353(2) 0.52994(2) 0.69002(2) 0.02599(8) Uani 1 1 d . . . . .
Pr2 Pr 0.45171(2) 0.71413(2) 0.76689(2) 0.02968(8) Uani 1 1 d . . . . .
Pr3 Pr 0.58436(2) 0.75596(2) 0.60025(2) 0.02909(8) Uani 1 1 d . . . . .
Pr4 Pr 0.74346(2) 0.78344(2) 0.76815(2) 0.02407(7) Uani 1 1 d . . . . .
Sb1 Sb 0.44797(3) 0.54867(2) 0.56655(2) 0.03273(10) Uani 1 1 d . . . . .
Sb2 Sb 0.35091(2) 0.52503(2) 0.69373(2) 0.03356(11) Uani 1 1 d . . . . .
Sb3 Sb 0.37079(2) 0.68756(3) 0.62340(2) 0.03535(11) Uani 1 1 d . . . . .
Sb4 Sb 0.50198(2) 0.87448(2) 0.68232(2) 0.03151(10) Uani 1 1 d . . . . .
Sb5 Sb 0.61443(3) 0.89415(2) 0.80945(2) 0.03361(10) Uani 1 1 d . . . . .
Sb6 Sb 0.72027(2) 0.92799(2) 0.68417(2) 0.02928(10) Uani 1 1 d . . . . .
Sb7 Sb 0.79919(2) 0.78507(2) 0.62301(2) 0.02887(10) Uani 1 1 d . . . . .
Sb8 Sb 0.78883(2) 0.62553(2) 0.69501(2) 0.02548(9) Uani 1 1 d . . . . .
Sb9 Sb 0.67113(2) 0.60188(2) 0.56751(2) 0.02901(9) Uani 1 1 d . . . . .
Sb10 Sb 0.68589(2) 0.59758(2) 0.82190(2) 0.02819(9) Uani 1 1 d . . . . .
Sb11 Sb 0.60015(3) 0.73272(3) 0.87876(2) 0.03585(11) Uani 1 1 d . . . . .
Sb12 Sb 0.47052(3) 0.54562(2) 0.82181(2) 0.03040(10) Uani 1 1 d . . . . .
Cl1 Cl 0.58567(8) 0.69183(8) 0.70293(6) 0.0267(3) Uani 1 1 d . . . . .
Cl2 Cl 0.68002(11) 0.46561(10) 0.73131(8) 0.0444(4) Uani 1 1 d . . . . .
Cl3 Cl 0.46799(15) 0.80783(14) 0.87348(9) 0.0650(6) Uani 1 1 d . . . . .
Cl4 Cl 0.47693(11) 0.81363(11) 0.54789(9) 0.0537(5) Uani 1 1 d . . . . .
Cl5 Cl 0.55919(13) 0.65308(12) 0.49030(8) 0.0539(5) Uani 1 1 d . . . . .
Cl7 Cl 0.27290(11) 0.52882(11) 0.58240(10) 0.0600(6) Uani 1 1 d . . . . .
Cl8 Cl 0.61840(11) 1.01415(9) 0.73783(8) 0.0410(4) Uani 1 1 d . . . . .
Cl9 Cl 0.85004(11) 0.66974(11) 0.57525(8) 0.0477(5) Uani 1 1 d . . . . .
Cl10 Cl 0.58352(13) 0.58012(11) 0.91866(8) 0.0520(5) Uani 1 1 d . . . . .
O1 O 0.4460(2) 0.5634(2) 0.74557(18) 0.0326(10) Uani 1 1 d . . . . .
O2 O 0.4291(2) 0.5155(2) 0.64048(18) 0.0336(10) Uani 1 1 d . . . . .
O3 O 0.5614(2) 0.5762(3) 0.59519(18) 0.0357(11) Uani 1 1 d . . . . .
O4 O 0.6924(2) 0.5805(2) 0.64186(16) 0.0261(9) Uani 1 1 d . . . . .
O5 O 0.7118(2) 0.6342(2) 0.74913(17) 0.0283(9) Uani 1 1 d . . . . .
O6 O 0.5748(2) 0.5511(2) 0.79001(18) 0.0283(9) Uani 1 1 d . . . . .
O7 O 0.5022(3) 0.6550(2) 0.83708(18) 0.0328(10) Uani 1 1 d . . . . .
O8 O 0.3674(2) 0.6312(2) 0.68726(19) 0.0336(10) Uani 1 1 d . . . . .
O9 O 0.4532(2) 0.6512(2) 0.58956(19) 0.0325(10) Uani 1 1 d . . . . .
O10 O 0.6950(2) 0.7096(2) 0.58950(17) 0.0284(9) Uani 1 1 d . . . . .
O11 O 0.7982(2) 0.7309(2) 0.68698(16) 0.0252(9) Uani 1 1 d . . . . .
O12 O 0.6796(3) 0.6987(2) 0.83970(17) 0.0309(10) Uani 1 1 d . . . . .
O13 O 0.6064(3) 0.7882(2) 0.81326(17) 0.0319(10) Uani 1 1 d . . . . .
O14 O 0.4664(2) 0.7624(2) 0.66485(19) 0.0314(10) Uani 1 1 d . . . . .
O15 O 0.7265(2) 0.8269(2) 0.6644(2) 0.0371(11) Uani 1 1 d . . . . .
O16 O 0.6040(2) 0.8708(2) 0.65463(18) 0.0306(10) Uani 1 1 d . . . . .
O17 O 0.6994(2) 0.8932(2) 0.75713(18) 0.0298(10) Uani 1 1 d . . . . .
O18 O 0.5214(3) 0.8480(2) 0.75538(18) 0.0316(10) Uani 1 1 d . . . . .
O19 O 0.5516(3) 0.4206(3) 0.6198(2) 0.0475(13) Uani 1 1 d . . . . .
H19A H 0.5456 0.4380 0.5902 0.071 Uiso 1 1 d R U . . .
H19B H 0.5070 0.3879 0.6271 0.071 Uiso 1 1 d R U . . .
O21 O 0.4575(3) 0.4181(3) 0.7210(2) 0.0445(12) Uani 1 1 d . . . . .
O22 O 0.4623(4) 0.3137(3) 0.6762(3) 0.079(2) Uani 1 1 d . . . . .
O23 O 0.1245(3) 0.1844(3) 0.7827(3) 0.0648(18) Uani 1 1 d . . . . .
O24 O 0.1461(3) -0.0369(3) 0.8458(2) 0.0529(14) Uani 1 1 d . . . . .
O25 O -0.1335(4) -0.0176(3) 0.7183(3) 0.087(2) Uani 1 1 d . . . . .
O26 O -0.1280(3) -0.1203(3) 0.7460(3) 0.0560(15) Uani 1 1 d . . . . .
O27 O 0.3277(5) -0.1939(5) 0.6853(3) 0.098(3) Uani 1 1 d . . . . .
O28 O 0.3463(3) -0.2353(3) 0.7613(2) 0.0537(15) Uani 1 1 d . . . . .
O29 O 0.3106(4) 0.5241(4) 0.8403(3) 0.099(3) Uani 1 1 d . . . . .
O30 O 0.3314(3) 0.6213(4) 0.7964(3) 0.075(2) Uani 1 1 d . . . . .
O31 O 0.0681(3) 0.6619(4) 0.9500(2) 0.0571(16) Uani 1 1 d . . . . .
O32 O -0.0269(3) 0.8629(4) 0.9911(3) 0.080(2) Uani 1 1 d . . . . .
O33 O -0.1504(3) 0.7525(3) 0.8084(2) 0.0639(17) Uani 1 1 d . . . . .
O34 O -0.1103(4) 0.6601(4) 0.7853(3) 0.083(2) Uani 1 1 d . . . . .
O35 O 0.2114(3) 1.1308(3) 1.1492(2) 0.0600(16) Uani 1 1 d . . . . .
O36 O 0.2986(5) 1.1161(5) 1.0921(3) 0.114(3) Uani 1 1 d . . . . .
C1 C 0.2960(5) 0.5789(5) 0.8301(4) 0.052(2) Uani 1 1 d . . . . .
C2 C 0.2311(4) 0.5987(4) 0.8598(3) 0.0410(17) Uani 1 1 d . . . . .
C3 C 0.1968(5) 0.5626(5) 0.9041(4) 0.055(2) Uani 1 1 d . . . . .
H3 H 0.2117 0.5238 0.9150 0.066 Uiso 1 1 calc R U . . .
C4 C 0.1410(4) 0.5835(5) 0.9321(4) 0.053(2) Uani 1 1 d . . . . .
H4 H 0.1176 0.5586 0.9616 0.064 Uiso 1 1 calc R U . . .
C5 C 0.1194(4) 0.6415(4) 0.9166(3) 0.0415(17) Uani 1 1 d . . . . .
C6 C 0.1510(4) 0.6764(4) 0.8715(3) 0.0378(16) Uani 1 1 d . . . . .
H6 H 0.1347 0.7141 0.8600 0.045 Uiso 1 1 calc R U . . .
C7 C 0.2073(4) 0.6550(4) 0.8436(3) 0.0407(17) Uani 1 1 d . . . . .
H7 H 0.2294 0.6790 0.8134 0.049 Uiso 1 1 calc R U . . .
C8 C 0.0278(4) 0.7068(4) 0.9322(3) 0.0424(17) Uani 1 1 d . . . . .
C9 C 0.0274(5) 0.7661(5) 0.9686(3) 0.060(2) Uani 1 1 d . . . . .
H9 H 0.0567 0.7774 1.0021 0.072 Uiso 1 1 calc R U . . .
C10 C -0.0173(4) 0.8083(5) 0.9544(4) 0.053(2) Uani 1 1 d . . . . .
C11 C -0.0614(4) 0.7913(4) 0.9055(3) 0.0429(18) Uani 1 1 d . . . . .
H11 H -0.0920 0.8198 0.8967 0.051 Uiso 1 1 calc R U . . .
C12 C -0.0605(4) 0.7327(4) 0.8698(3) 0.0329(15) Uani 1 1 d . . . . .
C13 C -0.0166(4) 0.6886(4) 0.8827(3) 0.0355(15) Uani 1 1 d . . . . .
H13 H -0.0170 0.6478 0.8587 0.043 Uiso 1 1 calc R U . . .
C14 C -0.1102(4) 0.7131(4) 0.8162(3) 0.0384(16) Uani 1 1 d . . . . .
C15 C 0.0389(5) 0.9198(5) 1.0181(3) 0.049(2) Uani 1 1 d . . . . .
C16 C 0.1119(6) 0.9428(6) 0.9982(4) 0.083(3) Uani 1 1 d . . . . .
H16 H 0.1211 0.9195 0.9653 0.099 Uiso 1 1 calc R U . . .
C17 C 0.1741(6) 1.0018(6) 1.0269(4) 0.077(3) Uani 1 1 d . . . . .
H17 H 0.2252 1.0176 1.0131 0.093 Uiso 1 1 calc R U . . .
C18 C 0.1621(5) 1.0377(4) 1.0756(3) 0.0409(17) Uani 1 1 d . . . . .
C19 C 0.0855(5) 1.0130(4) 1.0935(3) 0.0464(19) Uani 1 1 d . . . . .
H19 H 0.0749 1.0367 1.1257 0.056 Uiso 1 1 calc R U . . .
C20 C 0.0240(5) 0.9544(5) 1.0654(3) 0.052(2) Uani 1 1 d . . . . .
H20 H -0.0275 0.9383 1.0786 0.062 Uiso 1 1 calc R U . . .
C21 C 0.2280(5) 1.1000(4) 1.1073(3) 0.0475(19) Uani 1 1 d . . . . .
C22 C 0.4292(5) 0.3475(4) 0.7063(4) 0.049(2) Uani 1 1 d . . . . .
C23 C 0.3503(4) 0.3039(4) 0.7284(3) 0.0452(19) Uani 1 1 d . . . . .
C24 C 0.3087(5) 0.3383(4) 0.7617(3) 0.050(2) Uani 1 1 d . . . . .
H24 H 0.3312 0.3899 0.7721 0.060 Uiso 1 1 calc R U . . .
C25 C 0.2338(4) 0.2966(4) 0.7799(4) 0.052(2) Uani 1 1 d . . . . .
H25 H 0.2065 0.3202 0.8023 0.062 Uiso 1 1 calc R U . . .
C26 C 0.2008(4) 0.2210(4) 0.7646(4) 0.049(2) Uani 1 1 d . . . . .
C27 C 0.2403(5) 0.1848(4) 0.7306(4) 0.062(3) Uani 1 1 d . . . . .
H27 H 0.2170 0.1334 0.7194 0.075 Uiso 1 1 calc R U . . .
C28 C 0.3159(5) 0.2276(4) 0.7136(4) 0.063(3) Uani 1 1 d . . . . .
H28 H 0.3437 0.2038 0.6917 0.075 Uiso 1 1 calc R U . . .
C29 C 0.0961(4) 0.1076(4) 0.7850(3) 0.0423(18) Uani 1 1 d . . . . .
C30 C 0.1388(4) 0.0736(4) 0.8130(3) 0.0475(19) Uani 1 1 d . . . . .
H30 H 0.1898 0.1013 0.8294 0.057 Uiso 1 1 calc R U . . .
C31 C 0.1035(4) -0.0027(4) 0.8160(3) 0.0380(16) Uani 1 1 d . . . . .
C32 C 0.0267(4) -0.0444(4) 0.7934(3) 0.0365(16) Uani 1 1 d . . . . .
H32 H 0.0032 -0.0955 0.7971 0.044 Uiso 1 1 calc R U . . .
C33 C -0.0141(4) -0.0089(4) 0.7655(3) 0.0351(15) Uani 1 1 d . . . . .
C34 C 0.0214(4) 0.0673(4) 0.7609(3) 0.0410(18) Uani 1 1 d . . . . .
H34 H -0.0059 0.0911 0.7414 0.049 Uiso 1 1 calc R U . . .
C35 C -0.0993(4) -0.0530(4) 0.7412(3) 0.0432(18) Uani 1 1 d . . . . .
C36 C 0.1877(4) -0.0741(4) 0.8163(3) 0.0384(16) Uani 1 1 d . . . . .
C37 C 0.2275(5) -0.1105(5) 0.8459(3) 0.052(2) Uani 1 1 d . . . . .
H37 H 0.2251 -0.1082 0.8837 0.063 Uiso 1 1 calc R U . . .
C38 C 0.2697(4) -0.1491(4) 0.8199(3) 0.0454(19) Uani 1 1 d . . . . .
H38 H 0.2960 -0.1732 0.8401 0.054 Uiso 1 1 calc R U . . .
C39 C 0.2740(4) -0.1533(4) 0.7635(3) 0.0334(15) Uani 1 1 d . . . . .
C40 C 0.2367(4) -0.1152(4) 0.7354(3) 0.0414(17) Uani 1 1 d . . . . .
H40 H 0.2402 -0.1163 0.6978 0.050 Uiso 1 1 calc R U . . .
C41 C 0.1938(4) -0.0750(4) 0.7613(3) 0.0422(17) Uani 1 1 d . . . . .
H41 H 0.1695 -0.0490 0.7413 0.051 Uiso 1 1 calc R U . . .
C42 C 0.3189(4) -0.1984(4) 0.7346(3) 0.0427(18) Uani 1 1 d . . . . .
Fe1 Fe 0.68764(6) 0.24580(5) 0.84463(4) 0.0365(2) Uani 1 1 d . . . . .
N1 N 0.6152(3) 0.3027(3) 0.8598(2) 0.0378(13) Uani 1 1 d . . . . .
N2 N 0.6924(4) 0.2461(3) 0.9244(2) 0.0419(14) Uani 1 1 d . . . . .
N3 N 0.5914(3) 0.1514(3) 0.8359(2) 0.0367(13) Uani 1 1 d . . . . .
N4 N 0.6660(4) 0.2414(3) 0.7661(2) 0.0409(14) Uani 1 1 d . . . . .
N5 N 0.7837(4) 0.3396(4) 0.8508(3) 0.0525(17) Uani 1 1 d . . . . .
N6 N 0.7686(4) 0.1984(4) 0.8370(3) 0.0455(15) Uani 1 1 d . . . . .
C43 C 0.5782(5) 0.3324(4) 0.8268(3) 0.0473(19) Uani 1 1 d . . . . .
H43 H 0.5845 0.3257 0.7894 0.057 Uiso 1 1 calc R U . . .
C44 C 0.5307(6) 0.3727(5) 0.8445(4) 0.063(2) Uani 1 1 d . . . . .
H44 H 0.5062 0.3926 0.8195 0.075 Uiso 1 1 calc R U . . .
C45 C 0.5202(6) 0.3830(5) 0.8981(4) 0.063(2) Uani 1 1 d . . . . .
H45 H 0.4880 0.4098 0.9104 0.076 Uiso 1 1 calc R U . . .
C46 C 0.5578(5) 0.3532(4) 0.9355(4) 0.052(2) Uani 1 1 d . . . . .
C47 C 0.5526(6) 0.3595(5) 0.9943(4) 0.068(3) Uani 1 1 d . . . . .
H47 H 0.5218 0.3856 1.0101 0.082 Uiso 1 1 calc R U . . .
C48 C 0.5906(6) 0.3289(6) 1.0265(4) 0.066(3) Uani 1 1 d . . . . .
H48 H 0.5853 0.3342 1.0640 0.079 Uiso 1 1 calc R U . . .
C49 C 0.6382(5) 0.2893(5) 1.0057(3) 0.051(2) Uani 1 1 d . . . . .
C50 C 0.6794(5) 0.2552(5) 1.0366(4) 0.063(2) Uani 1 1 d . . . . .
H50 H 0.6757 0.2572 1.0743 0.076 Uiso 1 1 calc R U . . .
C51 C 0.7243(5) 0.2195(5) 1.0120(4) 0.061(2) Uani 1 1 d . . . . .
H51 H 0.7517 0.1970 1.0328 0.074 Uiso 1 1 calc R U . . .
C52 C 0.7304(5) 0.2159(5) 0.9566(3) 0.054(2) Uani 1 1 d . . . . .
H52 H 0.7625 0.1912 0.9408 0.065 Uiso 1 1 calc R U . . .
C53 C 0.6462(4) 0.2825(4) 0.9488(3) 0.0419(17) Uani 1 1 d . . . . .
C54 C 0.6051(4) 0.3135(4) 0.9142(3) 0.0402(17) Uani 1 1 d . . . . .
C55 C 0.5582(5) 0.1021(4) 0.8710(3) 0.054(2) Uani 1 1 d . . . . .
H55 H 0.5845 0.1073 0.9050 0.065 Uiso 1 1 calc R U . . .
C56 C 0.4846(6) 0.0426(5) 0.8580(4) 0.070(3) Uani 1 1 d . . . . .
H56 H 0.4639 0.0083 0.8832 0.085 Uiso 1 1 calc R U . . .
C57 C 0.4432(5) 0.0339(5) 0.8104(4) 0.068(3) Uani 1 1 d . . . . .
H57 H 0.3933 -0.0047 0.8030 0.082 Uiso 1 1 calc R U . . .
C58 C 0.4765(5) 0.0840(4) 0.7721(4) 0.051(2) Uani 1 1 d . . . . .
C59 C 0.4410(6) 0.0793(5) 0.7192(4) 0.065(2) Uani 1 1 d . . . . .
H59 H 0.3897 0.0438 0.7096 0.078 Uiso 1 1 calc R U . . .
C60 C 0.4800(6) 0.1250(5) 0.6827(4) 0.066(3) Uani 1 1 d . . . . .
H60 H 0.4551 0.1207 0.6483 0.079 Uiso 1 1 calc R U . . .
C61 C 0.5588(5) 0.1805(5) 0.6954(3) 0.052(2) Uani 1 1 d . . . . .
C62 C 0.6040(6) 0.2296(6) 0.6587(4) 0.065(3) Uani 1 1 d . . . . .
H62 H 0.5836 0.2274 0.6232 0.078 Uiso 1 1 calc R U . . .
C63 C 0.6779(6) 0.2800(6) 0.6764(4) 0.066(3) Uani 1 1 d . . . . .
H63 H 0.7092 0.3114 0.6522 0.079 Uiso 1 1 calc R U . . .
C64 C 0.7081(5) 0.2860(5) 0.7299(3) 0.053(2) Uani 1 1 d . . . . .
H64 H 0.7588 0.3217 0.7407 0.063 Uiso 1 1 calc R U . . .
C65 C 0.5924(4) 0.1891(4) 0.7483(3) 0.0384(16) Uani 1 1 d . . . . .
C66 C 0.5515(4) 0.1407(4) 0.7867(3) 0.0407(17) Uani 1 1 d . . . . .
C67 C 0.7891(6) 0.4105(5) 0.8584(5) 0.081(3) Uani 1 1 d . . . . .
H67 H 0.7418 0.4210 0.8575 0.097 Uiso 1 1 calc R U . . .
C68 C 0.8621(7) 0.4697(6) 0.8678(6) 0.114(5) Uani 1 1 d . . . . .
H68 H 0.8635 0.5190 0.8729 0.136 Uiso 1 1 calc R U . . .
C69 C 0.9297(8) 0.4563(7) 0.8696(7) 0.125(6) Uani 1 1 d . . . . .
H69 H 0.9787 0.4963 0.8763 0.149 Uiso 1 1 calc R U . . .
C70 C 0.9290(6) 0.3828(7) 0.8615(6) 0.098(4) Uani 1 1 d . . . . .
C71 C 0.9974(8) 0.3591(10) 0.8599(8) 0.151(7) Uani 1 1 d . . . . .
H71 H 1.0490 0.3959 0.8635 0.181 Uiso 1 1 calc R U . . .
C72 C 0.9908(7) 0.2885(10) 0.8536(7) 0.130(6) Uani 1 1 d . . . . .
H72 H 1.0372 0.2768 0.8557 0.156 Uiso 1 1 calc R U . . .
C73 C 0.9130(6) 0.2280(7) 0.8434(5) 0.084(3) Uani 1 1 d . . . . .
C74 C 0.8998(8) 0.1513(8) 0.8352(6) 0.106(5) Uani 1 1 d . . . . .
H74 H 0.9434 0.1351 0.8341 0.127 Uiso 1 1 calc R U . . .
C75 C 0.8234(7) 0.1006(7) 0.8288(4) 0.080(3) Uani 1 1 d . . . . .
H75 H 0.8139 0.0492 0.8241 0.096 Uiso 1 1 calc R U . . .
C76 C 0.7594(6) 0.1261(5) 0.8294(4) 0.062(2) Uani 1 1 d . . . . .
H76 H 0.7072 0.0905 0.8242 0.075 Uiso 1 1 calc R U . . .
C77 C 0.8454(5) 0.2490(6) 0.8437(4) 0.061(2) Uani 1 1 d . . . . .
C78 C 0.8531(5) 0.3263(6) 0.8527(4) 0.066(3) Uani 1 1 d . . . . .
Fe2 Fe 0.15621(5) 0.75931(5) 0.50922(4) 0.02685(19) Uani 1 1 d . . . . .
N7 N 0.2554(3) 0.8459(3) 0.5329(2) 0.0299(12) Uani 1 1 d . . . . .
N8 N 0.1770(3) 0.7998(3) 0.4383(2) 0.0324(12) Uani 1 1 d . . . . .
N9 N 0.2137(3) 0.6928(3) 0.4844(2) 0.0286(12) Uani 1 1 d . . . . .
N10 N 0.0607(3) 0.6722(3) 0.4798(2) 0.0292(12) Uani 1 1 d . . . . .
N11 N 0.1382(3) 0.7244(3) 0.5818(2) 0.0355(13) Uani 1 1 d . . . . .
N12 N 0.0936(3) 0.8202(3) 0.5352(3) 0.0417(15) Uani 1 1 d . . . . .
C79 C 0.2919(4) 0.8701(4) 0.5822(3) 0.0380(16) Uani 1 1 d . . . . .
H79 H 0.2713 0.8426 0.6112 0.046 Uiso 1 1 calc R U . . .
C80 C 0.3601(4) 0.9354(4) 0.5918(3) 0.0455(18) Uani 1 1 d . . . . .
H80 H 0.3835 0.9511 0.6271 0.055 Uiso 1 1 calc R U . . .
C81 C 0.3925(4) 0.9762(4) 0.5509(4) 0.052(2) Uani 1 1 d . . . . .
H81 H 0.4374 1.0204 0.5578 0.063 Uiso 1 1 calc R U . . .
C82 C 0.3579(4) 0.9515(4) 0.4980(3) 0.0416(18) Uani 1 1 d . . . . .
C83 C 0.3892(5) 0.9868(4) 0.4511(4) 0.054(2) Uani 1 1 d . . . . .
H83 H 0.4354 1.0301 0.4548 0.065 Uiso 1 1 calc R U . . .
C84 C 0.3529(5) 0.9583(5) 0.4007(4) 0.053(2) Uani 1 1 d . . . . .
H84 H 0.3766 0.9807 0.3703 0.063 Uiso 1 1 calc R U . . .
C85 C 0.2790(4) 0.8945(4) 0.3934(3) 0.0410(17) Uani 1 1 d . . . . .
C86 C 0.2356(5) 0.8645(4) 0.3434(3) 0.052(2) Uani 1 1 d . . . . .
H86 H 0.2548 0.8853 0.3115 0.062 Uiso 1 1 calc R U . . .
C87 C 0.1649(5) 0.8046(5) 0.3418(3) 0.056(2) Uani 1 1 d . . . . .
H87 H 0.1351 0.7843 0.3089 0.067 Uiso 1 1 calc R U . . .
C88 C 0.1373(5) 0.7736(4) 0.3904(3) 0.0464(18) Uani 1 1 d . . . . .
H88 H 0.0887 0.7328 0.3887 0.056 Uiso 1 1 calc R U . . .
C89 C 0.2475(4) 0.8597(3) 0.4395(3) 0.0319(14) Uani 1 1 d . . . . .
C90 C 0.2885(4) 0.8864(3) 0.4912(3) 0.0324(15) Uani 1 1 d . . . . .
C91 C 0.2936(4) 0.7060(4) 0.4853(3) 0.0379(16) Uani 1 1 d . . . . .
H91 H 0.3292 0.7514 0.5028 0.045 Uiso 1 1 calc R U . . .
C92 C 0.3245(5) 0.6546(5) 0.4611(3) 0.0456(19) Uani 1 1 d . . . . .
H92 H 0.3802 0.6664 0.4618 0.055 Uiso 1 1 calc R U . . .
C93 C 0.2744(5) 0.5867(4) 0.4362(3) 0.0477(19) Uani 1 1 d . . . . .
H93 H 0.2954 0.5522 0.4200 0.057 Uiso 1 1 calc R U . . .
C94 C 0.1900(4) 0.5694(4) 0.4352(3) 0.0405(17) Uani 1 1 d . . . . .
C95 C 0.1312(6) 0.5003(4) 0.4120(4) 0.060(2) Uani 1 1 d . . . . .
H95 H 0.1477 0.4622 0.3966 0.072 Uiso 1 1 calc R U . . .
C96 C 0.0520(6) 0.4890(4) 0.4120(4) 0.063(2) Uani 1 1 d . . . . .
H96 H 0.0148 0.4430 0.3966 0.076 Uiso 1 1 calc R U . . .
C97 C 0.0232(4) 0.5454(4) 0.4350(3) 0.0439(18) Uani 1 1 d . . . . .
C98 C -0.0588(5) 0.5385(5) 0.4364(4) 0.055(2) Uani 1 1 d . . . . .
H98 H -0.0994 0.4937 0.4223 0.066 Uiso 1 1 calc R U . . .
C99 C -0.0776(4) 0.5966(5) 0.4583(3) 0.050(2) Uani 1 1 d . . . . .
H99 H -0.1314 0.5924 0.4589 0.060 Uiso 1 1 calc R U . . .
C100 C -0.0168(4) 0.6635(4) 0.4801(3) 0.0409(17) Uani 1 1 d . . . . .
H100 H -0.0311 0.7031 0.4953 0.049 Uiso 1 1 calc R U . . .
C101 C 0.0801(4) 0.6131(4) 0.4585(3) 0.0308(14) Uani 1 1 d . . . . .
C102 C 0.1642(4) 0.6251(3) 0.4594(3) 0.0320(14) Uani 1 1 d . . . . .
C103 C 0.1624(4) 0.6747(4) 0.6044(3) 0.0410(17) Uani 1 1 d . . . . .
H103 H 0.1925 0.6517 0.5841 0.049 Uiso 1 1 calc R U . . .
C104 C 0.1447(6) 0.6559(5) 0.6569(4) 0.065(2) Uani 1 1 d . . . . .
H104 H 0.1623 0.6207 0.6711 0.078 Uiso 1 1 calc R U . . .
C105 C 0.1015(6) 0.6894(6) 0.6872(4) 0.069(3) Uani 1 1 d . . . . .
H105 H 0.0904 0.6780 0.7228 0.083 Uiso 1 1 calc R U . . .
C106 C 0.0741(5) 0.7403(5) 0.6656(4) 0.059(2) Uani 1 1 d . . . . .
C107 C 0.0259(6) 0.7784(7) 0.6925(4) 0.082(4) Uani 1 1 d . . . . .
H107 H 0.0084 0.7665 0.7270 0.099 Uiso 1 1 calc R U . . .
C108 C 0.0058(5) 0.8297(7) 0.6698(5) 0.078(3) Uani 1 1 d . . . . .
H108 H -0.0231 0.8547 0.6894 0.094 Uiso 1 1 calc R U . . .
C109 C 0.0271(5) 0.8478(5) 0.6162(4) 0.063(3) Uani 1 1 d . . . . .
C110 C 0.0078(6) 0.9006(6) 0.5897(6) 0.084(4) Uani 1 1 d . . . . .
H110 H -0.0206 0.9280 0.6070 0.101 Uiso 1 1 calc R U . . .
C111 C 0.0311(7) 0.9115(6) 0.5377(6) 0.091(4) Uani 1 1 d . . . . .
H111 H 0.0176 0.9461 0.5193 0.109 Uiso 1 1 calc R U . . .
C112 C 0.0747(5) 0.8716(5) 0.5120(4) 0.063(2) Uani 1 1 d . . . . .
H112 H 0.0913 0.8816 0.4770 0.076 Uiso 1 1 calc R U . . .
C113 C 0.0706(4) 0.8100(4) 0.5870(3) 0.0441(18) Uani 1 1 d . . . . .
C114 C 0.0943(4) 0.7568(4) 0.6120(3) 0.0404(17) Uani 1 1 d . . . . .
N13 N 0.9508(8) 0.5174(7) 0.7422(5) 0.124(4) Uani 1 1 d . . . . .
C115 C 1.1239(8) 0.4462(10) 0.7378(8) 0.167(8) Uani 1 1 d . . . . .
H11A H 1.1590 0.4753 0.7124 0.250 Uiso 1 1 calc R U . . .
H11B H 1.1192 0.3945 0.7309 0.250 Uiso 1 1 calc R U . . .
H11C H 1.1461 0.4655 0.7744 0.250 Uiso 1 1 calc R U . . .
C116 C 1.0439(7) 0.4514(7) 0.7313(6) 0.100(4) Uani 1 1 d . . . . .
C117 C 1.0305(7) 0.5143(7) 0.7478(5) 0.099(4) Uani 1 1 d . . . . .
H117 H 1.0731 0.5566 0.7632 0.119 Uiso 1 1 calc R U . . .
C118 C 0.9052(6) 0.3910(6) 0.7017(6) 0.088(4) Uani 1 1 d . . . . .
H118 H 0.8633 0.3480 0.6863 0.105 Uiso 1 1 calc R U . . .
C119 C 0.8924(7) 0.4528(8) 0.7180(5) 0.097(4) Uani 1 1 d . . . . .
H119 H 0.8404 0.4529 0.7127 0.116 Uiso 1 1 calc R U . . .
C120 C 0.9764(7) 0.3917(6) 0.7076(5) 0.092(4) Uani 1 1 d . . . . .
H120 H 0.9846 0.3478 0.6948 0.111 Uiso 1 1 calc R U . . .
N14 N 0.3919(7) 0.1611(7) 0.9356(6) 0.133(4) Uani 0.75 1 d D U P . .
C121 C 0.2280(8) 0.2232(9) 0.9914(6) 0.140(7) Uani 0.75 1 d D U P . .
H12A H 0.1795 0.1791 0.9885 0.211 Uiso 0.75 1 calc R U P . .
H12B H 0.2156 0.2652 0.9810 0.211 Uiso 0.75 1 calc R U P . .
H12C H 0.2500 0.2341 1.0285 0.211 Uiso 0.75 1 calc R U P . .
C122 C 0.2890(6) 0.2091(6) 0.9542(5) 0.125(5) Uani 0.75 1 d D U P . .
C123 C 0.2952(8) 0.2346(7) 0.9025(5) 0.122(5) Uani 0.75 1 d D U P . .
H123 H 0.2628 0.2601 0.8912 0.146 Uiso 0.75 1 calc R U P . .
C124 C 0.3511(8) 0.2208(8) 0.8682(6) 0.133(5) Uani 0.75 1 d D U P . .
H124 H 0.3557 0.2365 0.8334 0.160 Uiso 0.75 1 calc R U P . .
C125 C 0.4001(8) 0.1833(7) 0.8860(5) 0.116(4) Uani 0.75 1 d D U P . .
H125 H 0.4378 0.1742 0.8634 0.139 Uiso 0.75 1 calc R U P . .
C126 C 0.3381(7) 0.1720(7) 0.9709(6) 0.134(5) Uani 0.75 1 d D U P . .
H126 H 0.3345 0.1550 1.0053 0.160 Uiso 0.75 1 calc R U P . .
N15 N 0.0784(9) 0.1357(9) 0.5980(6) 0.165(5) Uani 0.75 1 d D U P . .
C127 C 0.2558(8) 0.3042(10) 0.5748(6) 0.142(6) Uani 0.75 1 d D U P . .
H12D H 0.2584 0.2892 0.5368 0.213 Uiso 0.75 1 calc R U P . .
H12E H 0.3002 0.2996 0.5952 0.213 Uiso 0.75 1 calc R U P . .
H12F H 0.2589 0.3556 0.5796 0.213 Uiso 0.75 1 calc R U P . .
C128 C 0.1769(8) 0.2539(8) 0.5953(4) 0.133(5) Uani 0.75 1 d D U P . .
C129 C 0.1350(9) 0.2860(9) 0.6302(5) 0.144(5) Uani 0.75 1 d D U P . .
H129 H 0.1545 0.3376 0.6413 0.172 Uiso 0.75 1 calc R U P . .
C130 C 0.0629(9) 0.2385(11) 0.6482(6) 0.151(5) Uani 0.75 1 d D U P . .
H130 H 0.0336 0.2587 0.6716 0.181 Uiso 0.75 1 calc R U P . .
C131 C 0.0335(9) 0.1611(11) 0.6319(6) 0.150(6) Uani 0.75 1 d D U P . .
H131 H -0.0147 0.1290 0.6439 0.180 Uiso 0.75 1 calc R U P . .
C132 C 0.1487(9) 0.1767(8) 0.5781(6) 0.151(5) Uani 0.75 1 d D U P . .
H132 H 0.1767 0.1551 0.5546 0.181 Uiso 0.75 1 calc R U P . .
N16 N 0.7970(14) 0.5434(12) 0.9653(8) 0.176(8) Uani 0.5 1 d D U P . .
C133 C 0.6516(13) 0.5688(13) 1.0624(10) 0.160(9) Uani 0.5 1 d D U P . .
H13A H 0.6418 0.6147 1.0601 0.240 Uiso 0.5 1 calc R U P . .
H13B H 0.6552 0.5606 1.1001 0.240 Uiso 0.5 1 calc R U P . .
H13C H 0.6080 0.5274 1.0434 0.240 Uiso 0.5 1 calc R U P . .
C134 C 0.7308(11) 0.5747(8) 1.0364(7) 0.154(7) Uani 0.5 1 d D U P . .
C135 C 0.8030(12) 0.6192(11) 1.0664(9) 0.165(8) Uani 0.5 1 d D U P . .
H135 H 0.8045 0.6445 1.1009 0.198 Uiso 0.5 1 calc R U P . .
C136 C 0.8730(12) 0.6217(12) 1.0391(11) 0.173(8) Uani 0.5 1 d D U P . .
H136 H 0.9230 0.6507 1.0564 0.208 Uiso 0.5 1 calc R U P . .
C137 C 0.8718(13) 0.5828(13) 0.9870(10) 0.176(8) Uani 0.5 1 d D U P . .
H137 H 0.9183 0.5844 0.9696 0.211 Uiso 0.5 1 calc R U P . .
C138 C 0.7261(13) 0.5352(10) 0.9847(8) 0.148(7) Uani 0.5 1 d D U P . .
H138 H 0.6774 0.5059 0.9658 0.177 Uiso 0.5 1 calc R U P . .
Cl6 Cl 0.7076(3) 0.8663(3) 0.5485(3) 0.0542(14) Uani 0.5 1 d . . P A 1
O1W O 0.8884(12) 1.0150(12) 0.5909(11) 0.161(10) Uani 0.5 1 d . . P B 1
O2W O 0.383(2) 0.970(3) 0.992(2) 0.146(17) Uani 0.25 1 d . . P C 1
O3W O 0.258(2) 0.062(2) 0.5651(14) 0.129(15) Uani 0.25 1 d . . P D 1
O20 O 0.6730(10) 0.8393(10) 0.5385(8) 0.066(5) Uani 0.5 1 d . . P A 2
Cl11 Cl 0.8310(4) 0.9619(4) 0.5691(3) 0.105(2) Uani 0.5 1 d . . P E 2
O2B O 0.362(2) 0.9877(19) 1.0433(16) 0.120(16) Uani 0.25 1 d . . P F 2
O4W O 0.232(3) 0.029(2) 0.6326(18) 0.17(2) Uani 0.25 1 d . . P G 2
O5W O 0.5122(13) 0.9021(11) 0.9988(6) 0.126(7) Uani 0.5 1 d . . P . .
O6W O 0.4122(9) 0.1859(7) 0.5776(5) 0.193(6) 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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Fe Fe 0.3463 0.8444 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Sb Sb -0.5866 1.5461 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pr Pr -0.2180 2.8214 '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
O6 Pr1 O21 74.54(15) . .
O6 Pr1 O4 116.59(13) . .
O21 Pr1 O4 147.45(15) . .
O6 Pr1 O19 135.21(15) . .
O21 Pr1 O19 74.13(17) . .
O4 Pr1 O19 78.00(14) . .
O6 Pr1 O2 118.42(14) . .
O21 Pr1 O2 72.67(15) . .
O4 Pr1 O2 119.18(13) . .
O19 Pr1 O2 80.99(15) . .
O6 Pr1 O3 151.76(14) . .
O21 Pr1 O3 124.80(15) . .
O4 Pr1 O3 59.96(13) . .
O19 Pr1 O3 72.97(16) . .
O2 Pr1 O3 59.39(13) . .
O6 Pr1 O1 60.03(13) . .
O21 Pr1 O1 66.17(15) . .
O4 Pr1 O1 146.37(13) . .
O19 Pr1 O1 129.96(14) . .
O2 Pr1 O1 59.35(14) . .
O3 Pr1 O1 106.01(13) . .
O6 Pr1 O5 58.56(12) . .
O21 Pr1 O5 129.02(14) . .
O4 Pr1 O5 59.17(12) . .
O19 Pr1 O5 126.63(14) . .
O2 Pr1 O5 146.14(13) . .
O3 Pr1 O5 106.17(12) . .
O1 Pr1 O5 102.24(12) . .
O6 Pr1 Cl1 81.46(10) . .
O21 Pr1 Cl1 131.54(13) . .
O4 Pr1 Cl1 81.00(10) . .
O19 Pr1 Cl1 143.12(12) . .
O2 Pr1 Cl1 83.31(10) . .
O3 Pr1 Cl1 70.30(11) . .
O1 Pr1 Cl1 65.37(9) . .
O5 Pr1 Cl1 62.84(8) . .
O6 Pr1 Cl2 71.07(10) . .
O21 Pr1 Cl2 85.59(12) . .
O4 Pr1 Cl2 71.23(10) . .
O19 Pr1 Cl2 75.36(12) . .
O2 Pr1 Cl2 151.49(11) . .
O3 Pr1 Cl2 125.80(11) . .
O1 Pr1 Cl2 128.01(10) . .
O5 Pr1 Cl2 62.37(9) . .
Cl1 Pr1 Cl2 125.20(5) . .
O6 Pr1 Sb12 29.86(9) . .
O21 Pr1 Sb12 59.54(12) . .
O4 Pr1 Sb12 143.22(9) . .
O19 Pr1 Sb12 133.49(11) . .
O2 Pr1 Sb12 88.65(10) . .
O3 Pr1 Sb12 137.17(10) . .
O1 Pr1 Sb12 32.06(9) . .
O5 Pr1 Sb12 84.22(8) . .
Cl1 Pr1 Sb12 78.91(3) . .
Cl2 Pr1 Sb12 96.13(4) . .
O6 Pr1 Sb9 141.84(9) . .
O21 Pr1 Sb9 142.35(12) . .
O4 Pr1 Sb9 29.70(9) . .
O19 Pr1 Sb9 70.41(11) . .
O2 Pr1 Sb9 89.48(10) . .
O3 Pr1 Sb9 30.50(9) . .
O1 Pr1 Sb9 132.00(9) . .
O5 Pr1 Sb9 83.63(8) . .
Cl1 Pr1 Sb9 76.31(3) . .
Cl2 Pr1 Sb9 97.24(4) . .
Sb12 Pr1 Sb9 155.198(14) . .
O28 Pr2 O30 73.30(19) 1_565 .
O28 Pr2 O18 74.99(16) 1_565 .
O30 Pr2 O18 145.67(18) . .
O28 Pr2 O7 134.81(17) 1_565 .
O30 Pr2 O7 75.61(19) . .
O18 Pr2 O7 120.44(15) . .
O28 Pr2 O8 79.54(18) 1_565 .
O30 Pr2 O8 69.1(2) . .
O18 Pr2 O8 117.31(14) . .
O7 Pr2 O8 118.19(14) . .
O28 Pr2 O14 77.47(15) 1_565 .
O30 Pr2 O14 124.4(2) . .
O18 Pr2 O14 59.26(13) . .
O7 Pr2 O14 147.72(13) . .
O8 Pr2 O14 59.70(13) . .
O28 Pr2 O13 126.76(17) 1_565 .
O30 Pr2 O13 133.79(19) . .
O18 Pr2 O13 60.88(13) . .
O7 Pr2 O13 61.40(13) . .
O8 Pr2 O13 146.02(14) . .
O14 Pr2 O13 101.53(12) . .
O28 Pr2 O1 130.36(16) 1_565 .
O30 Pr2 O1 66.21(17) . .
O18 Pr2 O1 147.80(13) . .
O7 Pr2 O1 59.48(13) . .
O8 Pr2 O1 60.27(13) . .
O14 Pr2 O1 102.66(13) . .
O13 Pr2 O1 102.20(12) . .
O28 Pr2 Cl3 75.43(15) 1_565 .
O30 Pr2 Cl3 89.28(19) . .
O18 Pr2 Cl3 70.18(11) . .
O7 Pr2 Cl3 72.19(11) . .
O8 Pr2 Cl3 150.82(11) . .
O14 Pr2 Cl3 127.09(10) . .
O13 Pr2 Cl3 63.11(10) . .
O1 Pr2 Cl3 129.44(10) . .
O28 Pr2 Cl1 141.59(13) 1_565 .
O30 Pr2 Cl1 129.49(16) . .
O18 Pr2 Cl1 84.26(10) . .
O7 Pr2 Cl1 83.58(10) . .
O8 Pr2 Cl1 81.95(10) . .
O14 Pr2 Cl1 64.14(9) . .
O13 Pr2 Cl1 64.08(9) . .
O1 Pr2 Cl1 63.55(9) . .
Cl3 Pr2 Cl1 127.19(6) . .
O28 Pr2 Sb5 96.09(14) 1_565 .
O30 Pr2 Sb5 143.61(18) . .
O18 Pr2 Sb5 30.51(10) . .
O7 Pr2 Sb5 89.94(10) . .
O8 Pr2 Sb5 144.54(10) . .
O14 Pr2 Sb5 84.91(9) . .
O13 Pr2 Sb5 32.49(8) . .
O1 Pr2 Sb5 133.54(8) . .
Cl3 Pr2 Sb5 54.37(5) . .
Cl1 Pr2 Sb5 80.21(3) . .
O28 Pr2 Sb2 100.72(15) 1_565 .
O30 Pr2 Sb2 56.32(18) . .
O18 Pr2 Sb2 144.28(10) . .
O7 Pr2 Sb2 88.17(10) . .
O8 Pr2 Sb2 30.03(9) . .
O14 Pr2 Sb2 85.07(9) . .
O13 Pr2 Sb2 132.47(9) . .
O1 Pr2 Sb2 32.00(8) . .
Cl3 Pr2 Sb2 144.17(5) . .
Cl1 Pr2 Sb2 77.85(3) . .
Sb5 Pr2 Sb2 158.054(15) . .
O16 Pr3 O10 120.46(14) . .
O16 Pr3 O9 122.29(14) . .
O10 Pr3 O9 110.94(14) . .
O16 Pr3 O20 83.5(5) . .
O10 Pr3 O20 76.1(5) . .
O9 Pr3 O20 135.3(4) . .
O16 Pr3 O14 61.93(13) . .
O10 Pr3 O14 144.56(13) . .
O9 Pr3 O14 61.15(14) . .
O20 Pr3 O14 135.6(5) . .
O16 Pr3 O15 60.39(13) . .
O10 Pr3 O15 60.72(13) . .
O9 Pr3 O15 146.02(14) . .
O20 Pr3 O15 77.2(4) . .
O14 Pr3 O15 105.09(13) . .
O16 Pr3 Cl6 75.84(18) . .
O10 Pr3 Cl6 73.42(17) . .
O9 Pr3 Cl6 147.02(18) . .
O14 Pr3 Cl6 133.57(17) . .
O15 Pr3 Cl6 65.81(17) . .
O16 Pr3 Cl4 76.59(11) . .
O10 Pr3 Cl4 146.29(11) . .
O9 Pr3 Cl4 74.82(10) . .
O20 Pr3 Cl4 77.6(5) . .
O14 Pr3 Cl4 68.31(10) . .
O15 Pr3 Cl4 131.90(10) . .
Cl6 Pr3 Cl4 84.61(14) . .
O16 Pr3 Cl1 86.28(11) . .
O10 Pr3 Cl1 78.52(10) . .
O9 Pr3 Cl1 79.58(11) . .
O20 Pr3 Cl1 142.7(4) . .
O14 Pr3 Cl1 66.16(9) . .
O15 Pr3 Cl1 66.57(10) . .
Cl6 Pr3 Cl1 131.96(14) . .
Cl4 Pr3 Cl1 134.22(6) . .
O16 Pr3 Cl5 154.42(11) . .
O10 Pr3 Cl5 69.64(11) . .
O9 Pr3 Cl5 66.59(12) . .
O20 Pr3 Cl5 76.2(4) . .
O14 Pr3 Cl5 125.28(10) . .
O15 Pr3 Cl5 127.75(10) . .
Cl6 Pr3 Cl5 86.09(15) . .
Cl4 Pr3 Cl5 83.91(6) . .
Cl1 Pr3 Cl5 119.30(5) . .
O16 Pr3 Sb4 30.51(10) . .
O10 Pr3 Sb4 146.62(10) . .
O9 Pr3 Sb4 91.91(10) . .
O20 Pr3 Sb4 105.0(5) . .
O14 Pr3 Sb4 33.34(9) . .
O15 Pr3 Sb4 86.64(9) . .
Cl6 Pr3 Sb4 100.75(14) . .
Cl4 Pr3 Sb4 61.60(5) . .
Cl1 Pr3 Sb4 82.32(3) . .
Cl5 Pr3 Sb4 143.64(4) . .
O16 Pr3 Sb3 91.01(10) . .
O10 Pr3 Sb3 139.98(9) . .
O9 Pr3 Sb3 31.56(10) . .
O20 Pr3 Sb3 136.1(4) . .
O14 Pr3 Sb3 32.36(9) . .
O15 Pr3 Sb3 135.94(10) . .
Cl6 Pr3 Sb3 143.26(13) . .
Cl4 Pr3 Sb3 58.82(4) . .
Cl1 Pr3 Sb3 79.77(3) . .
Cl5 Pr3 Sb3 92.92(4) . .
Sb4 Pr3 Sb3 60.510(12) . .
O33 Pr4 O35 75.0(2) 1_655 2_677
O33 Pr4 O26 73.4(2) 1_655 1_665
O35 Pr4 O26 75.3(2) 2_677 1_665
O33 Pr4 O12 74.29(19) 1_655 .
O35 Pr4 O12 78.52(18) 2_677 .
O26 Pr4 O12 142.60(18) 1_665 .
O33 Pr4 O11 76.94(18) 1_655 .
O35 Pr4 O11 140.89(17) 2_677 .
O26 Pr4 O11 70.92(16) 1_665 .
O12 Pr4 O11 118.88(13) . .
O33 Pr4 O17 141.96(18) 1_655 .
O35 Pr4 O17 72.96(17) 2_677 .
O26 Pr4 O17 79.06(15) 1_665 .
O12 Pr4 O17 117.88(13) . .
O11 Pr4 O17 118.06(13) . .
O33 Pr4 O5 69.74(17) 1_655 .
O35 Pr4 O5 131.06(17) 2_677 .
O26 Pr4 O5 123.00(15) 1_665 .
O12 Pr4 O5 60.18(13) . .
O11 Pr4 O5 59.52(12) . .
O17 Pr4 O5 148.29(13) . .
O33 Pr4 O13 128.49(18) 1_655 .
O35 Pr4 O13 74.59(17) 2_677 .
O26 Pr4 O13 134.62(15) 1_665 .
O12 Pr4 O13 59.60(13) . .
O11 Pr4 O13 144.42(13) . .
O17 Pr4 O13 60.06(12) . .
O5 Pr4 O13 102.38(12) . .
O33 Pr4 O15 130.33(18) 1_655 .
O35 Pr4 O15 124.69(17) 2_677 .
O26 Pr4 O15 70.17(17) 1_665 .
O12 Pr4 O15 147.14(13) . .
O11 Pr4 O15 59.98(12) . .
O17 Pr4 O15 59.18(13) . .
O5 Pr4 O15 104.03(12) . .
O13 Pr4 O15 101.17(12) . .
O33 Pr4 Cl1 134.04(15) 1_655 .
O35 Pr4 Cl1 138.56(15) 2_677 .
O26 Pr4 Cl1 133.99(15) 1_665 .
O12 Pr4 Cl1 82.80(11) . .
O11 Pr4 Cl1 80.37(9) . .
O17 Pr4 Cl1 84.00(10) . .
O5 Pr4 Cl1 64.30(9) . .
O13 Pr4 Cl1 64.05(10) . .
O15 Pr4 Cl1 64.41(9) . .
O33 Pr4 Sb8 63.56(14) 1_655 .
O35 Pr4 Sb8 138.51(14) 2_677 .
O26 Pr4 Sb8 93.46(13) 1_665 .
O12 Pr4 Sb8 88.73(9) . .
O11 Pr4 Sb8 30.22(9) . .
O17 Pr4 Sb8 144.98(10) . .
O5 Pr4 Sb8 30.91(8) . .
O13 Pr4 Sb8 131.20(9) . .
O15 Pr4 Sb8 86.00(8) . .
Cl1 Pr4 Sb8 76.85(3) . .
O33 Pr4 Sb10 62.91(16) 1_655 .
O35 Pr4 Sb10 101.75(15) 2_677 .
O26 Pr4 Sb10 135.11(13) 1_665 .
O12 Pr4 Sb10 30.00(9) . .
O11 Pr4 Sb10 88.89(9) . .
O17 Pr4 Sb10 144.08(9) . .
O5 Pr4 Sb10 31.36(9) . .
O13 Pr4 Sb10 84.12(8) . .
O15 Pr4 Sb10 133.16(9) . .
Cl1 Pr4 Sb10 77.32(3) . .
Sb8 Pr4 Sb10 58.723(11) . .
O9 Sb1 O2 94.32(19) . .
O9 Sb1 O3 89.91(18) . .
O2 Sb1 O3 80.07(18) . .
O8 Sb2 O1 86.45(18) . .
O8 Sb2 O2 97.08(18) . .
O1 Sb2 O2 84.02(18) . .
O8 Sb2 Pr2 39.29(13) . .
O1 Sb2 Pr2 49.98(13) . .
O2 Sb2 Pr2 103.82(13) . .
O14 Sb3 O8 82.85(18) . .
O14 Sb3 O9 82.79(18) . .
O8 Sb3 O9 91.91(18) . .
O14 Sb3 Pr3 46.75(13) . .
O8 Sb3 Pr3 101.42(12) . .
O9 Sb3 Pr3 40.18(12) . .
O14 Sb3 Pr2 46.28(13) . .
O8 Sb3 Pr2 38.60(13) . .
O9 Sb3 Pr2 97.05(13) . .
Pr3 Sb3 Pr2 81.076(11) . .
O16 Sb4 O18 94.57(18) . .
O16 Sb4 O14 82.24(17) . .
O18 Sb4 O14 81.07(18) . .
O16 Sb4 Pr3 37.62(13) . .
O18 Sb4 Pr3 99.63(13) . .
O14 Sb4 Pr3 47.39(12) . .
O16 Sb4 Pr2 98.89(12) . .
O18 Sb4 Pr2 37.15(13) . .
O14 Sb4 Pr2 46.10(13) . .
Pr3 Sb4 Pr2 81.120(12) . .
O18 Sb5 O13 84.06(18) . .
O18 Sb5 O17 95.86(18) . .
O13 Sb5 O17 82.27(17) . .
O18 Sb5 Pr2 39.05(12) . .
O13 Sb5 Pr2 48.26(13) . .
O17 Sb5 Pr2 102.39(12) . .
O18 Sb5 Pr4 101.03(13) . .
O13 Sb5 Pr4 45.20(13) . .
O17 Sb5 Pr4 39.35(11) . .
Pr2 Sb5 Pr4 82.403(11) . .
O17 Sb6 O15 83.67(19) . .
O17 Sb6 O16 93.43(18) . .
O15 Sb6 O16 80.71(17) . .
O17 Sb6 O25 85.4(2) . 1_665
O15 Sb6 O25 91.8(2) . 1_665
O16 Sb6 O25 172.5(2) . 1_665
O17 Sb6 Pr3 98.95(13) . .
O15 Sb6 Pr3 47.25(13) . .
O16 Sb6 Pr3 35.60(12) . .
O25 Sb6 Pr3 137.28(17) 1_665 .
O11 Sb7 O15 84.91(18) . .
O11 Sb7 O10 94.04(17) . .
O15 Sb7 O10 83.15(17) . .
O11 Sb7 Cl9 80.46(13) . .
O15 Sb7 Cl9 155.57(13) . .
O10 Sb7 Cl9 78.52(12) . .
O11 Sb7 Pr3 102.08(11) . .
O15 Sb7 Pr3 48.07(13) . .
O10 Sb7 Pr3 38.02(12) . .
Cl9 Sb7 Pr3 116.44(4) . .
O11 Sb7 Pr4 38.80(12) . .
O15 Sb7 Pr4 47.70(14) . .
O10 Sb7 Pr4 97.75(12) . .
Cl9 Sb7 Pr4 119.10(4) . .
Pr3 Sb7 Pr4 81.648(11) . .
O5 Sb8 O11 81.89(17) . .
O5 Sb8 O4 85.99(17) . .
O11 Sb8 O4 93.52(16) . .
O5 Sb8 Pr4 44.75(12) . .
O11 Sb8 Pr4 39.58(12) . .
O4 Sb8 Pr4 100.96(12) . .
O10 Sb9 O4 93.89(17) . .
O10 Sb9 O3 90.84(18) . .
O4 Sb9 O3 80.12(17) . .
O10 Sb9 Pr1 97.26(12) . .
O4 Sb9 Pr1 39.18(11) . .
O3 Sb9 Pr1 41.29(12) . .
O6 Sb10 O12 94.68(18) . .
O6 Sb10 O5 84.74(17) . .
O12 Sb10 O5 82.46(17) . .
O6 Sb10 Pr4 99.38(12) . .
O12 Sb10 Pr4 39.38(12) . .
O5 Sb10 Pr4 44.86(12) . .
O6 Sb10 Pr1 36.74(13) . .
O12 Sb10 Pr1 102.26(13) . .
O5 Sb10 Pr1 51.35(12) . .
Pr4 Sb10 Pr1 83.101(11) . .
O12 Sb11 O13 81.94(17) . .
O12 Sb11 O7 95.17(18) . .
O13 Sb11 O7 83.89(18) . .
O12 Sb11 Pr2 101.44(13) . .
O13 Sb11 Pr2 47.79(13) . .
O7 Sb11 Pr2 39.25(12) . .
O12 Sb11 Pr4 39.09(12) . .
O13 Sb11 Pr4 45.43(13) . .
O7 Sb11 Pr4 101.13(12) . .
Pr2 Sb11 Pr4 82.232(12) . .
O7 Sb12 O6 94.26(18) . .
O7 Sb12 O1 84.13(18) . .
O6 Sb12 O1 81.41(17) . .
O7 Sb12 Pr1 101.21(13) . .
O6 Sb12 Pr1 37.66(12) . .
O1 Sb12 Pr1 46.54(12) . .
O7 Sb12 Pr2 37.20(13) . .
O6 Sb12 Pr2 98.02(11) . .
O1 Sb12 Pr2 48.91(13) . .
Pr1 Sb12 Pr2 82.004(11) . .
Pr3 Cl1 Pr1 114.35(5) . .
Pr3 Cl1 Pr2 106.95(4) . .
Pr1 Cl1 Pr2 109.51(4) . .
Pr3 Cl1 Pr4 108.50(4) . .
Pr1 Cl1 Pr4 110.32(4) . .
Pr2 Cl1 Pr4 106.90(5) . .
Sb2 O1 Sb12 135.4(2) . .
Sb2 O1 Pr1 104.08(19) . .
Sb12 O1 Pr1 101.40(16) . .
Sb2 O1 Pr2 98.02(15) . .
Sb12 O1 Pr2 98.97(17) . .
Pr1 O1 Pr2 121.54(15) . .
Sb2 O2 Sb1 130.8(2) . .
Sb2 O2 Pr1 110.37(19) . .
Sb1 O2 Pr1 110.30(18) . .
Sb9 O3 Sb1 139.2(2) . .
Sb9 O3 Pr1 108.21(17) . .
Sb1 O3 Pr1 109.83(18) . .
Sb9 O4 Sb8 132.1(2) . .
Sb9 O4 Pr1 111.11(16) . .
Sb8 O4 Pr1 111.63(17) . .
Sb8 O5 Sb10 133.8(2) . .
Sb8 O5 Pr4 104.35(16) . .
Sb10 O5 Pr4 103.79(17) . .
Sb8 O5 Pr1 98.19(16) . .
Sb10 O5 Pr1 96.61(15) . .
Pr4 O5 Pr1 122.52(14) . .
Sb10 O6 Sb12 130.2(2) . .
Sb10 O6 Pr1 114.64(18) . .
Sb12 O6 Pr1 112.48(17) . .
Sb12 O7 Sb11 130.9(2) . .
Sb12 O7 Pr2 114.2(2) . .
Sb11 O7 Pr2 109.59(17) . .
Sb2 O8 Sb3 132.4(3) . .
Sb2 O8 Pr2 110.68(18) . .
Sb3 O8 Pr2 111.66(18) . .
Sb1 O9 Sb3 130.2(2) . .
Sb1 O9 Pr3 120.05(19) . .
Sb3 O9 Pr3 108.26(18) . .
Sb9 O10 Sb7 126.9(2) . .
Sb9 O10 Pr3 119.56(18) . .
Sb7 O10 Pr3 111.65(18) . .
Sb7 O11 Sb8 132.8(2) . .
Sb7 O11 Pr4 111.95(17) . .
Sb8 O11 Pr4 110.20(17) . .
Sb11 O12 Sb10 132.3(2) . .
Sb11 O12 Pr4 111.12(17) . .
Sb10 O12 Pr4 110.62(18) . .
Sb5 O13 Sb11 129.1(2) . .
Sb5 O13 Pr4 103.52(17) . .
Sb11 O13 Pr4 103.06(17) . .
Sb5 O13 Pr2 99.25(17) . .
Sb11 O13 Pr2 99.87(16) . .
Pr4 O13 Pr2 124.96(16) . .
Sb3 O14 Sb4 132.3(2) . .
Sb3 O14 Pr3 100.89(18) . .
Sb4 O14 Pr3 99.27(16) . .
Sb3 O14 Pr2 102.42(16) . .
Sb4 O14 Pr2 102.13(18) . .
Pr3 O14 Pr2 122.64(15) . .
Sb6 O15 Sb7 136.9(2) . .
Sb6 O15 Pr3 100.98(17) . .
Sb7 O15 Pr3 99.58(18) . .
Sb6 O15 Pr4 101.00(19) . .
Sb7 O15 Pr4 100.56(17) . .
Pr3 O15 Pr4 120.38(15) . .
Sb4 O16 Sb6 130.1(2) . .
Sb4 O16 Pr3 111.86(18) . .
Sb6 O16 Pr3 114.29(18) . .
Sb6 O17 Sb5 132.0(2) . .
Sb6 O17 Pr4 111.87(18) . .
Sb5 O17 Pr4 110.35(17) . .
Sb4 O18 Sb5 130.8(2) . .
Sb4 O18 Pr2 113.9(2) . .
Sb5 O18 Pr2 110.43(17) . .
Pr1 O19 H19A 101.8 . .
Pr1 O19 H19B 101.5 . .
H19A O19 H19B 109.8 . .
C22 O21 Pr1 136.1(5) . .
C29 O23 C26 120.4(6) . .
C36 O24 C31 116.5(6) . .
C35 O25 Sb6 123.7(5) . 1_445
C35 O26 Pr4 139.8(5) . 1_445
C42 O28 Pr2 143.9(5) . 1_545
C1 O30 Pr2 150.9(6) . .
C5 O31 C8 120.0(6) . .
C10 O32 C15 121.3(6) . .
C14 O33 Pr4 156.3(5) . 1_455
C21 O35 Pr4 149.1(6) . 2_677
O29 C1 O30 123.9(8) . .
O29 C1 C2 119.7(7) . .
O30 C1 C2 116.3(7) . .
C7 C2 C3 119.0(7) . .
C7 C2 C1 119.9(7) . .
C3 C2 C1 121.1(6) . .
C4 C3 C2 120.4(7) . .
C4 C3 H3 119.8 . .
C2 C3 H3 119.8 . .
C3 C4 C5 120.1(7) . .
C3 C4 H4 119.9 . .
C5 C4 H4 119.9 . .
O31 C5 C6 124.4(6) . .
O31 C5 C4 115.3(7) . .
C6 C5 C4 120.3(7) . .
C5 C6 C7 119.2(6) . .
C5 C6 H6 120.4 . .
C7 C6 H6 120.4 . .
C2 C7 C6 121.0(7) . .
C2 C7 H7 119.5 . .
C6 C7 H7 119.5 . .
C9 C8 C13 121.3(7) . .
C9 C8 O31 116.7(7) . .
C13 C8 O31 121.7(7) . .
C8 C9 C10 118.6(7) . .
C8 C9 H9 120.7 . .
C10 C9 H9 120.7 . .
C11 C10 O32 117.3(7) . .
C11 C10 C9 121.0(7) . .
O32 C10 C9 121.2(8) . .
C12 C11 C10 119.9(7) . .
C12 C11 H11 120.1 . .
C10 C11 H11 120.1 . .
C11 C12 C13 120.8(6) . .
C11 C12 C14 120.0(6) . .
C13 C12 C14 119.1(6) . .
C8 C13 C12 118.3(6) . .
C8 C13 H13 120.8 . .
C12 C13 H13 120.8 . .
O34 C14 O33 124.7(7) . .
O34 C14 C12 119.5(6) . .
O33 C14 C12 115.7(7) . .
C16 C15 C20 121.1(8) . .
C16 C15 O32 122.8(7) . .
C20 C15 O32 115.9(7) . .
C15 C16 C17 119.2(8) . .
C15 C16 H16 120.4 . .
C17 C16 H16 120.4 . .
C18 C17 C16 121.7(9) . .
C18 C17 H17 119.1 . .
C16 C17 H17 119.1 . .
C19 C18 C17 116.7(7) . .
C19 C18 C21 120.8(7) . .
C17 C18 C21 122.5(8) . .
C18 C19 C20 121.7(7) . .
C18 C19 H19 119.1 . .
C20 C19 H19 119.1 . .
C15 C20 C19 119.5(8) . .
C15 C20 H20 120.3 . .
C19 C20 H20 120.3 . .
O35 C21 O36 123.0(8) . .
O35 C21 C18 118.2(8) . .
O36 C21 C18 118.6(8) . .
O22 C22 O21 124.8(7) . .
O22 C22 C23 118.9(7) . .
O21 C22 C23 116.3(8) . .
C28 C23 C24 118.5(7) . .
C28 C23 C22 119.3(8) . .
C24 C23 C22 122.2(7) . .
C23 C24 C25 120.8(7) . .
C23 C24 H24 119.6 . .
C25 C24 H24 119.6 . .
C26 C25 C24 119.7(8) . .
C26 C25 H25 120.1 . .
C24 C25 H25 120.1 . .
C25 C26 O23 115.8(7) . .
C25 C26 C27 121.0(7) . .
O23 C26 C27 123.2(7) . .
C26 C27 C28 118.3(7) . .
C26 C27 H27 120.9 . .
C28 C27 H27 120.9 . .
C23 C28 C27 121.7(8) . .
C23 C28 H28 119.1 . .
C27 C28 H28 119.1 . .
C34 C29 C30 121.2(6) . .
C34 C29 O23 116.9(6) . .
C30 C29 O23 121.7(7) . .
C29 C30 C31 117.7(7) . .
C29 C30 H30 121.2 . .
C31 C30 H30 121.2 . .
C30 C31 C32 122.1(6) . .
C30 C31 O24 117.7(7) . .
C32 C31 O24 120.1(6) . .
C33 C32 C31 118.7(6) . .
C33 C32 H32 120.6 . .
C31 C32 H32 120.6 . .
C32 C33 C34 119.9(6) . .
C32 C33 C35 119.9(6) . .
C34 C33 C35 120.2(6) . .
C29 C34 C33 120.3(7) . .
C29 C34 H34 119.8 . .
C33 C34 H34 119.8 . .
O25 C35 O26 125.3(7) . .
O25 C35 C33 116.8(6) . .
O26 C35 C33 117.9(6) . .
C41 C36 O24 123.8(6) . .
C41 C36 C37 119.8(7) . .
O24 C36 C37 116.4(7) . .
C38 C37 C36 120.4(7) . .
C38 C37 H37 119.8 . .
C36 C37 H37 119.8 . .
C37 C38 C39 120.7(7) . .
C37 C38 H38 119.6 . .
C39 C38 H38 119.6 . .
C40 C39 C38 117.9(7) . .
C40 C39 C42 121.5(7) . .
C38 C39 C42 120.6(6) . .
C39 C40 C41 122.1(7) . .
C39 C40 H40 118.9 . .
C41 C40 H40 118.9 . .
C36 C41 C40 118.9(6) . .
C36 C41 H41 120.5 . .
C40 C41 H41 120.5 . .
O28 C42 O27 123.8(8) . .
O28 C42 C39 118.5(7) . .
O27 C42 C39 117.6(7) . .
N4 Fe1 N6 94.6(3) . .
N4 Fe1 N2 171.6(3) . .
N6 Fe1 N2 91.8(3) . .
N4 Fe1 N5 96.1(3) . .
N6 Fe1 N5 82.9(3) . .
N2 Fe1 N5 90.1(3) . .
N4 Fe1 N1 90.8(2) . .
N6 Fe1 N1 172.7(3) . .
N2 Fe1 N1 83.4(3) . .
N5 Fe1 N1 91.7(3) . .
N4 Fe1 N3 82.2(2) . .
N6 Fe1 N3 96.8(3) . .
N2 Fe1 N3 91.7(2) . .
N5 Fe1 N3 178.2(3) . .
N1 Fe1 N3 88.8(2) . .
C43 N1 C54 116.9(6) . .
C43 N1 Fe1 131.1(5) . .
C54 N1 Fe1 111.9(5) . .
C52 N2 C53 117.3(7) . .
C52 N2 Fe1 130.9(6) . .
C53 N2 Fe1 111.8(5) . .
C55 N3 C66 116.9(6) . .
C55 N3 Fe1 130.9(5) . .
C66 N3 Fe1 112.0(5) . .
C64 N4 C65 117.3(7) . .
C64 N4 Fe1 129.8(6) . .
C65 N4 Fe1 112.5(5) . .
C67 N5 C78 117.2(8) . .
C67 N5 Fe1 130.0(6) . .
C78 N5 Fe1 112.4(6) . .
C76 N6 C77 117.0(8) . .
C76 N6 Fe1 130.1(6) . .
C77 N6 Fe1 112.8(6) . .
N1 C43 C44 123.7(8) . .
N1 C43 H43 118.1 . .
C44 C43 H43 118.1 . .
C45 C44 C43 119.5(8) . .
C45 C44 H44 120.2 . .
C43 C44 H44 120.2 . .
C44 C45 C46 119.7(8) . .
C44 C45 H45 120.1 . .
C46 C45 H45 120.1 . .
C54 C46 C45 117.1(8) . .
C54 C46 C47 116.4(8) . .
C45 C46 C47 126.5(8) . .
C48 C47 C46 122.0(9) . .
C48 C47 H47 119.0 . .
C46 C47 H47 119.0 . .
C47 C48 C49 122.1(9) . .
C47 C48 H48 118.9 . .
C49 C48 H48 118.9 . .
C48 C49 C50 125.7(8) . .
C48 C49 C53 118.2(8) . .
C50 C49 C53 116.2(8) . .
C51 C50 C49 120.1(8) . .
C51 C50 H50 119.9 . .
C49 C50 H50 119.9 . .
C50 C51 C52 120.7(8) . .
C50 C51 H51 119.7 . .
C52 C51 H51 119.7 . .
N2 C52 C51 122.8(8) . .
N2 C52 H52 118.6 . .
C51 C52 H52 118.6 . .
N2 C53 C54 116.9(7) . .
N2 C53 C49 122.9(7) . .
C54 C53 C49 120.2(7) . .
N1 C54 C46 123.0(7) . .
N1 C54 C53 116.0(7) . .
C46 C54 C53 121.0(7) . .
N3 C55 C56 121.5(8) . .
N3 C55 H55 119.2 . .
C56 C55 H55 119.2 . .
C57 C56 C55 121.6(9) . .
C57 C56 H56 119.2 . .
C55 C56 H56 119.2 . .
C56 C57 C58 118.6(8) . .
C56 C57 H57 120.7 . .
C58 C57 H57 120.7 . .
C57 C58 C66 117.0(8) . .
C57 C58 C59 124.5(8) . .
C66 C58 C59 118.4(8) . .
C60 C59 C58 121.2(8) . .
C60 C59 H59 119.4 . .
C58 C59 H59 119.4 . .
C59 C60 C61 121.5(8) . .
C59 C60 H60 119.3 . .
C61 C60 H60 119.3 . .
C65 C61 C62 117.3(8) . .
C65 C61 C60 118.1(8) . .
C62 C61 C60 124.5(8) . .
C63 C62 C61 118.3(8) . .
C63 C62 H62 120.9 . .
C61 C62 H62 120.9 . .
C62 C63 C64 121.6(8) . .
C62 C63 H63 119.2 . .
C64 C63 H63 119.2 . .
N4 C64 C63 121.6(8) . .
N4 C64 H64 119.2 . .
C63 C64 H64 119.2 . .
N4 C65 C61 123.9(7) . .
N4 C65 C66 115.8(6) . .
C61 C65 C66 120.3(7) . .
N3 C66 C58 124.2(7) . .
N3 C66 C65 115.5(6) . .
C58 C66 C65 120.2(7) . .
N5 C67 C68 122.5(11) . .
N5 C67 H67 118.7 . .
C68 C67 H67 118.7 . .
C69 C68 C67 119.9(12) . .
C69 C68 H68 120.1 . .
C67 C68 H68 120.1 . .
C68 C69 C70 120.9(10) . .
C68 C69 H69 119.5 . .
C70 C69 H69 119.5 . .
C78 C70 C69 115.7(11) . .
C78 C70 C71 116.6(13) . .
C69 C70 C71 127.6(12) . .
C72 C71 C70 123.3(13) . .
C72 C71 H71 118.3 . .
C70 C71 H71 118.3 . .
C71 C72 C73 121.7(12) . .
C71 C72 H72 119.1 . .
C73 C72 H72 119.1 . .
C74 C73 C77 117.6(11) . .
C74 C73 C72 126.0(12) . .
C77 C73 C72 116.4(12) . .
C75 C74 C73 119.7(10) . .
C75 C74 H74 120.2 . .
C73 C74 H74 120.2 . .
C74 C75 C76 119.3(11) . .
C74 C75 H75 120.4 . .
C76 C75 H75 120.4 . .
N6 C76 C75 123.5(10) . .
N6 C76 H76 118.3 . .
C75 C76 H76 118.3 . .
N6 C77 C73 123.0(10) . .
N6 C77 C78 115.5(8) . .
C73 C77 C78 121.5(10) . .
N5 C78 C70 123.7(10) . .
N5 C78 C77 115.9(8) . .
C70 C78 C77 120.3(10) . .
N12 Fe2 N9 176.5(2) . .
N12 Fe2 N11 82.9(3) . .
N9 Fe2 N11 95.0(2) . .
N12 Fe2 N8 95.5(3) . .
N9 Fe2 N8 86.7(2) . .
N11 Fe2 N8 177.0(2) . .
N12 Fe2 N7 88.7(2) . .
N9 Fe2 N7 94.3(2) . .
N11 Fe2 N7 94.7(2) . .
N8 Fe2 N7 82.7(2) . .
N12 Fe2 N10 94.2(2) . .
N9 Fe2 N10 83.0(2) . .
N11 Fe2 N10 89.2(2) . .
N8 Fe2 N10 93.5(2) . .
N7 Fe2 N10 175.4(2) . .
C79 N7 C90 117.4(6) . .
C79 N7 Fe2 130.0(5) . .
C90 N7 Fe2 112.6(4) . .
C88 N8 C89 117.3(6) . .
C88 N8 Fe2 129.9(5) . .
C89 N8 Fe2 112.6(4) . .
C91 N9 C102 116.5(6) . .
C91 N9 Fe2 130.1(5) . .
C102 N9 Fe2 113.2(4) . .
C100 N10 C101 118.0(6) . .
C100 N10 Fe2 129.4(5) . .
C101 N10 Fe2 112.5(4) . .
C103 N11 C114 117.5(6) . .
C103 N11 Fe2 129.8(5) . .
C114 N11 Fe2 112.7(5) . .
C112 N12 C113 116.2(7) . .
C112 N12 Fe2 130.6(6) . .
C113 N12 Fe2 113.0(5) . .
N7 C79 C80 122.0(7) . .
N7 C79 H79 119.0 . .
C80 C79 H79 119.0 . .
C81 C80 C79 120.9(7) . .
C81 C80 H80 119.5 . .
C79 C80 H80 119.5 . .
C80 C81 C82 119.1(7) . .
C80 C81 H81 120.4 . .
C82 C81 H81 120.4 . .
C81 C82 C90 117.2(7) . .
C81 C82 C83 124.5(7) . .
C90 C82 C83 118.3(7) . .
C84 C83 C82 121.0(7) . .
C84 C83 H83 119.5 . .
C82 C83 H83 119.5 . .
C83 C84 C85 121.3(7) . .
C83 C84 H84 119.4 . .
C85 C84 H84 119.4 . .
C89 C85 C86 117.4(7) . .
C89 C85 C84 117.8(7) . .
C86 C85 C84 124.7(7) . .
C87 C86 C85 119.3(7) . .
C87 C86 H86 120.3 . .
C85 C86 H86 120.3 . .
C86 C87 C88 119.4(8) . .
C86 C87 H87 120.3 . .
C88 C87 H87 120.3 . .
N8 C88 C87 123.0(7) . .
N8 C88 H88 118.5 . .
C87 C88 H88 118.5 . .
N8 C89 C85 123.5(6) . .
N8 C89 C90 116.0(6) . .
C85 C89 C90 120.5(6) . .
N7 C90 C82 123.3(6) . .
N7 C90 C89 115.9(6) . .
C82 C90 C89 120.8(6) . .
N9 C91 C92 122.5(7) . .
N9 C91 H91 118.8 . .
C92 C91 H91 118.8 . .
C93 C92 C91 120.6(7) . .
C93 C92 H92 119.7 . .
C91 C92 H92 119.7 . .
C92 C93 C94 119.2(7) . .
C92 C93 H93 120.4 . .
C94 C93 H93 120.4 . .
C102 C94 C93 116.4(7) . .
C102 C94 C95 118.6(7) . .
C93 C94 C95 125.0(7) . .
C96 C95 C94 121.1(8) . .
C96 C95 H95 119.5 . .
C94 C95 H95 119.5 . .
C95 C96 C97 121.9(7) . .
C95 C96 H96 119.0 . .
C97 C96 H96 119.0 . .
C101 C97 C98 116.7(7) . .
C101 C97 C96 117.6(7) . .
C98 C97 C96 125.7(7) . .
C99 C98 C97 119.7(7) . .
C99 C98 H98 120.2 . .
C97 C98 H98 120.2 . .
C98 C99 C100 120.2(7) . .
C98 C99 H99 119.9 . .
C100 C99 H99 119.9 . .
N10 C100 C99 122.0(7) . .
N10 C100 H100 119.0 . .
C99 C100 H100 119.0 . .
N10 C101 C97 123.3(6) . .
N10 C101 C102 115.9(6) . .
C97 C101 C102 120.8(6) . .
N9 C102 C94 124.8(6) . .
N9 C102 C101 115.4(6) . .
C94 C102 C101 119.8(6) . .
N11 C103 C104 122.9(8) . .
N11 C103 H103 118.5 . .
C104 C103 H103 118.5 . .
C105 C104 C103 119.3(9) . .
C105 C104 H104 120.3 . .
C103 C104 H104 120.3 . .
C104 C105 C106 120.1(8) . .
C104 C105 H105 119.9 . .
C106 C105 H105 119.9 . .
C105 C106 C114 117.6(8) . .
C105 C106 C107 126.1(10) . .
C114 C106 C107 116.3(10) . .
C108 C107 C106 122.1(10) . .
C108 C107 H107 118.9 . .
C106 C107 H107 118.9 . .
C107 C108 C109 121.9(10) . .
C107 C108 H108 119.1 . .
C109 C108 H108 119.1 . .
C110 C109 C113 116.3(10) . .
C110 C109 C108 125.1(10) . .
C113 C109 C108 118.5(10) . .
C111 C110 C109 118.9(9) . .
C111 C110 H110 120.5 . .
C109 C110 H110 120.5 . .
C110 C111 C112 120.8(10) . .
C110 C111 H111 119.6 . .
C112 C111 H111 119.6 . .
N12 C112 C111 122.5(10) . .
N12 C112 H112 118.7 . .
C111 C112 H112 118.7 . .
N12 C113 C109 125.1(8) . .
N12 C113 C114 115.3(6) . .
C109 C113 C114 119.6(8) . .
N11 C114 C106 122.5(8) . .
N11 C114 C113 116.1(7) . .
C106 C114 C113 121.4(8) . .
C119 N13 C117 115.2(12) . .
C116 C115 H11A 109.5 . .
C116 C115 H11B 109.5 . .
H11A C115 H11B 109.5 . .
C116 C115 H11C 109.5 . .
H11A C115 H11C 109.5 . .
H11B C115 H11C 109.5 . .
C117 C116 C120 115.0(11) . .
C117 C116 C115 122.0(13) . .
C120 C116 C115 123.0(13) . .
C116 C117 N13 120.9(11) . .
C116 C117 H117 119.5 . .
N13 C117 H117 119.5 . .
C120 C118 C119 117.7(11) . .
C120 C118 H118 121.1 . .
C119 C118 H118 121.1 . .
C118 C119 N13 124.2(11) . .
C118 C119 H119 117.9 . .
N13 C119 H119 117.9 . .
C118 C120 C116 126.9(12) . .
C118 C120 H120 116.6 . .
C116 C120 H120 116.6 . .
C125 N14 C126 124.3(14) . .
C122 C121 H12A 109.5 . .
C122 C121 H12B 109.5 . .
H12A C121 H12B 109.5 . .
C122 C121 H12C 109.5 . .
H12A C121 H12C 109.5 . .
H12B C121 H12C 109.5 . .
C126 C122 C123 120.4(12) . .
C126 C122 C121 120.9(9) . .
C123 C122 C121 118.7(8) . .
C124 C123 C122 118.4(13) . .
C124 C123 H123 120.8 . .
C122 C123 H123 120.8 . .
C123 C124 C125 120.2(13) . .
C123 C124 H124 119.9 . .
C125 C124 H124 119.9 . .
N14 C125 C124 118.6(14) . .
N14 C125 H125 120.7 . .
C124 C125 H125 120.7 . .
N14 C126 C122 118.1(13) . .
N14 C126 H126 120.9 . .
C122 C126 H126 120.9 . .
C131 N15 C132 127.0(17) . .
C128 C127 H12D 109.5 . .
C128 C127 H12E 109.5 . .
H12D C127 H12E 109.5 . .
C128 C127 H12F 109.5 . .
H12D C127 H12F 109.5 . .
H12E C127 H12F 109.5 . .
C129 C128 C132 122.2(14) . .
C129 C128 C127 118.9(9) . .
C132 C128 C127 118.9(9) . .
C128 C129 C130 117.5(15) . .
C128 C129 H129 121.2 . .
C130 C129 H129 121.2 . .
C129 C130 C131 121.5(16) . .
C129 C130 H130 119.2 . .
C131 C130 H130 119.2 . .
N15 C131 C130 116.3(16) . .
N15 C131 H131 121.9 . .
C130 C131 H131 121.9 . .
N15 C132 C128 115.4(15) . .
N15 C132 H132 122.3 . .
C128 C132 H132 122.3 . .
C138 N16 C137 131(2) . .
C134 C133 H13A 109.5 . .
C134 C133 H13B 109.5 . .
H13A C133 H13B 109.5 . .
C134 C133 H13C 109.5 . .
H13A C133 H13C 109.5 . .
H13B C133 H13C 109.5 . .
C138 C134 C135 124.9(16) . .
C138 C134 C133 117.7(10) . .
C135 C134 C133 117.3(10) . .
C134 C135 C136 113.4(18) . .
C134 C135 H135 123.3 . .
C136 C135 H135 123.3 . .
C135 C136 C137 124.0(18) . .
C135 C136 H136 118.0 . .
C137 C136 H136 118.0 . .
N16 C137 C136 113.4(18) . .
N16 C137 H137 123.3 . .
C136 C137 H137 123.3 . .
N16 C138 C134 113.8(18) . .
N16 C138 H138 123.1 . .
C134 C138 H138 123.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O6 2.449(4) .
Pr1 O21 2.486(4) .
Pr1 O4 2.513(4) .
Pr1 O19 2.525(5) .
Pr1 O2 2.571(4) .
Pr1 O3 2.578(4) .
Pr1 O1 2.743(4) .
Pr1 O5 2.926(4) .
Pr1 Cl1 2.9597(15) .
Pr1 Cl2 2.9646(17) .
Pr1 Sb12 3.7037(6) .
Pr1 Sb9 3.7110(6) .
Pr2 O28 2.400(5) 1_565
Pr2 O30 2.416(6) .
Pr2 O18 2.458(4) .
Pr2 O7 2.469(4) .
Pr2 O8 2.488(5) .
Pr2 O14 2.743(4) .
Pr2 O13 2.764(5) .
Pr2 O1 2.843(4) .
Pr2 Cl3 2.980(2) .
Pr2 Cl1 3.0089(15) .
Pr2 Sb5 3.6564(6) .
Pr2 Sb2 3.6762(6) .
Pr3 O16 2.367(4) .
Pr3 O10 2.435(4) .
Pr3 O9 2.458(4) .
Pr3 O20 2.466(17) .
Pr3 O14 2.684(4) .
Pr3 O15 2.773(5) .
Pr3 Cl6 2.859(6) .
Pr3 Cl4 2.8610(17) .
Pr3 Cl1 2.9154(15) .
Pr3 Cl5 3.115(2) .
Pr3 Sb4 3.5987(6) .
Pr3 Sb3 3.6178(6) .
Pr4 O33 2.389(5) 1_655
Pr4 O35 2.415(5) 2_677
Pr4 O26 2.475(5) 1_665
Pr4 O12 2.514(4) .
Pr4 O11 2.517(4) .
Pr4 O17 2.520(4) .
Pr4 O5 2.694(4) .
Pr4 O13 2.720(4) .
Pr4 O15 2.803(5) .
Pr4 Cl1 3.0453(15) .
Pr4 Sb8 3.7074(5) .
Pr4 Sb10 3.7094(5) .
Sb1 O9 1.956(4) .
Sb1 O2 1.980(4) .
Sb1 O3 1.986(4) .
Sb2 O8 1.966(4) .
Sb2 O1 1.967(4) .
Sb2 O2 1.970(4) .
Sb3 O14 1.972(4) .
Sb3 O8 1.978(4) .
Sb3 O9 1.994(4) .
Sb4 O16 1.969(4) .
Sb4 O18 1.971(4) .
Sb4 O14 2.004(4) .
Sb5 O18 1.981(4) .
Sb5 O13 1.990(4) .
Sb5 O17 2.005(4) .
Sb6 O17 1.971(4) .
Sb6 O15 1.988(4) .
Sb6 O16 2.040(4) .
Sb6 O25 2.519(5) 1_665
Sb7 O11 1.963(4) .
Sb7 O15 1.994(4) .
Sb7 O10 1.997(4) .
Sb7 Cl9 2.8315(18) .
Sb8 O5 1.966(4) .
Sb8 O11 1.988(4) .
Sb8 O4 2.007(4) .
Sb9 O10 1.966(4) .
Sb9 O4 1.971(4) .
Sb9 O3 1.983(4) .
Sb10 O6 1.961(4) .
Sb10 O12 1.982(4) .
Sb10 O5 1.988(4) .
Sb11 O12 1.981(4) .
Sb11 O13 1.996(4) .
Sb11 O7 2.019(5) .
Sb12 O7 1.957(4) .
Sb12 O6 1.996(4) .
Sb12 O1 2.005(4) .
O19 H19A 0.8496 .
O19 H19B 0.8501 .
O21 C22 1.272(9) .
O22 C22 1.228(10) .
O23 C29 1.378(8) .
O23 C26 1.389(9) .
O24 C36 1.370(8) .
O24 C31 1.400(8) .
O25 C35 1.222(9) .
O25 Sb6 2.519(5) 1_445
O26 C35 1.222(8) .
O26 Pr4 2.475(5) 1_445
O27 C42 1.235(9) .
O28 C42 1.219(8) .
O28 Pr2 2.400(5) 1_545
O29 C1 1.211(9) .
O30 C1 1.234(9) .
O31 C5 1.372(9) .
O31 C8 1.391(8) .
O32 C10 1.373(9) .
O32 C15 1.382(9) .
O33 C14 1.234(8) .
O33 Pr4 2.389(5) 1_455
O34 C14 1.206(9) .
O35 C21 1.232(9) .
O35 Pr4 2.415(5) 2_677
O36 C21 1.252(10) .
C1 C2 1.513(10) .
C2 C7 1.378(9) .
C2 C3 1.381(10) .
C3 C4 1.369(11) .
C3 H3 0.9300 .
C4 C5 1.377(10) .
C4 H4 0.9300 .
C5 C6 1.374(10) .
C6 C7 1.379(10) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C8 C9 1.377(11) .
C8 C13 1.384(9) .
C9 C10 1.380(11) .
C9 H9 0.9300 .
C10 C11 1.369(10) .
C11 C12 1.362(9) .
C11 H11 0.9300 .
C12 C13 1.389(9) .
C12 C14 1.511(9) .
C13 H13 0.9300 .
C15 C16 1.331(12) .
C15 C20 1.363(10) .
C16 C17 1.385(12) .
C16 H16 0.9300 .
C17 C18 1.380(11) .
C17 H17 0.9300 .
C18 C19 1.369(10) .
C18 C21 1.479(10) .
C19 C20 1.369(10) .
C19 H19 0.9300 .
C20 H20 0.9300 .
C22 C23 1.495(10) .
C23 C28 1.373(10) .
C23 C24 1.383(11) .
C24 C25 1.391(10) .
C24 H24 0.9300 .
C25 C26 1.362(10) .
C25 H25 0.9300 .
C26 C27 1.389(12) .
C27 C28 1.395(11) .
C27 H27 0.9300 .
C28 H28 0.9300 .
C29 C34 1.362(9) .
C29 C30 1.375(10) .
C30 C31 1.376(10) .
C30 H30 0.9300 .
C31 C32 1.383(9) .
C32 C33 1.369(9) .
C32 H32 0.9300 .
C33 C34 1.380(9) .
C33 C35 1.521(9) .
C34 H34 0.9300 .
C36 C41 1.360(10) .
C36 C37 1.392(10) .
C37 C38 1.356(10) .
C37 H37 0.9300 .
C38 C39 1.388(10) .
C38 H38 0.9300 .
C39 C40 1.367(9) .
C39 C42 1.511(10) .
C40 C41 1.385(10) .
C40 H40 0.9300 .
C41 H41 0.9300 .
Fe1 N4 1.952(6) .
Fe1 N6 1.956(6) .
Fe1 N2 1.964(6) .
Fe1 N5 1.974(6) .
Fe1 N1 1.979(6) .
Fe1 N3 1.982(6) .
N1 C43 1.321(9) .
N1 C54 1.360(9) .
N2 C52 1.327(9) .
N2 C53 1.364(9) .
N3 C55 1.326(9) .
N3 C66 1.351(9) .
N4 C64 1.341(9) .
N4 C65 1.362(9) .
N5 C67 1.319(11) .
N5 C78 1.343(11) .
N6 C76 1.327(10) .
N6 C77 1.356(11) .
C43 C44 1.381(11) .
C43 H43 0.9300 .
C44 C45 1.343(12) .
C44 H44 0.9300 .
C45 C46 1.401(12) .
C45 H45 0.9300 .
C46 C54 1.397(10) .
C46 C47 1.449(12) .
C47 C48 1.329(13) .
C47 H47 0.9300 .
C48 C49 1.394(12) .
C48 H48 0.9300 .
C49 C50 1.398(12) .
C49 C53 1.411(10) .
C50 C51 1.339(13) .
C50 H50 0.9300 .
C51 C52 1.367(11) .
C51 H51 0.9300 .
C52 H52 0.9300 .
C53 C54 1.409(10) .
C55 C56 1.399(12) .
C55 H55 0.9300 .
C56 C57 1.335(13) .
C56 H56 0.9300 .
C57 C58 1.395(12) .
C57 H57 0.9300 .
C58 C66 1.397(10) .
C58 C59 1.417(12) .
C59 C60 1.337(13) .
C59 H59 0.9300 .
C60 C61 1.428(12) .
C60 H60 0.9300 .
C61 C65 1.391(10) .
C61 C62 1.413(12) .
C62 C63 1.354(13) .
C62 H62 0.9300 .
C63 C64 1.390(12) .
C63 H63 0.9300 .
C64 H64 0.9300 .
C65 C66 1.411(10) .
C67 C68 1.380(13) .
C67 H67 0.9300 .
C68 C69 1.314(18) .
C68 H68 0.9300 .
C69 C70 1.393(18) .
C69 H69 0.9300 .
C70 C78 1.390(12) .
C70 C71 1.441(19) .
C71 C72 1.30(2) .
C71 H71 0.9300 .
C72 C73 1.448(17) .
C72 H72 0.9300 .
C73 C74 1.393(17) .
C73 C77 1.394(13) .
C74 C75 1.351(16) .
C74 H74 0.9300 .
C75 C76 1.386(12) .
C75 H75 0.9300 .
C76 H76 0.9300 .
C77 C78 1.428(13) .
Fe2 N12 1.951(6) .
Fe2 N9 1.957(5) .
Fe2 N11 1.959(6) .
Fe2 N8 1.966(5) .
Fe2 N7 1.968(5) .
Fe2 N10 1.969(5) .
N7 C79 1.324(8) .
N7 C90 1.361(8) .
N8 C88 1.319(9) .
N8 C89 1.359(8) .
N9 C91 1.347(8) .
N9 C102 1.356(8) .
N10 C100 1.325(8) .
N10 C101 1.358(8) .
N11 C103 1.333(9) .
N11 C114 1.351(9) .
N12 C112 1.318(10) .
N12 C113 1.359(10) .
C79 C80 1.389(10) .
C79 H79 0.9300 .
C80 C81 1.344(11) .
C80 H80 0.9300 .
C81 C82 1.393(11) .
C81 H81 0.9300 .
C82 C90 1.396(9) .
C82 C83 1.417(11) .
C83 C84 1.356(11) .
C83 H83 0.9300 .
C84 C85 1.431(10) .
C84 H84 0.9300 .
C85 C89 1.395(9) .
C85 C86 1.397(11) .
C86 C87 1.360(11) .
C86 H86 0.9300 .
C87 C88 1.403(11) .
C87 H87 0.9300 .
C88 H88 0.9300 .
C89 C90 1.407(9) .
C91 C92 1.381(10) .
C91 H91 0.9300 .
C92 C93 1.361(11) .
C92 H92 0.9300 .
C93 C94 1.413(10) .
C93 H93 0.9300 .
C94 C102 1.392(9) .
C94 C95 1.416(11) .
C95 C96 1.345(12) .
C95 H95 0.9300 .
C96 C97 1.423(11) .
C96 H96 0.9300 .
C97 C101 1.388(9) .
C97 C98 1.416(11) .
C98 C99 1.338(11) .
C98 H98 0.9300 .
C99 C100 1.396(10) .
C99 H99 0.9300 .
C100 H100 0.9300 .
C101 C102 1.425(9) .
C103 C104 1.385(11) .
C103 H103 0.9300 .
C104 C105 1.355(13) .
C104 H104 0.9300 .
C105 C106 1.374(14) .
C105 H105 0.9300 .
C106 C114 1.410(11) .
C106 C107 1.441(14) .
C107 C108 1.323(15) .
C107 H107 0.9300 .
C108 C109 1.419(15) .
C108 H108 0.9300 .
C109 C110 1.386(15) .
C109 C113 1.398(10) .
C110 C111 1.363(16) .
C110 H110 0.9300 .
C111 C112 1.390(14) .
C111 H111 0.9300 .
C112 H112 0.9300 .
C113 C114 1.414(11) .
N13 C119 1.369(16) .
N13 C117 1.441(16) .
C115 C116 1.466(16) .
C115 H11A 0.9600 .
C115 H11B 0.9600 .
C115 H11C 0.9600 .
C116 C117 1.333(16) .
C116 C120 1.396(15) .
C117 H117 0.9300 .
C118 C120 1.264(13) .
C118 C119 1.307(16) .
C118 H118 0.9300 .
C119 H119 0.9300 .
C120 H120 0.9300 .
N14 C125 1.325(9) .
N14 C126 1.360(9) .
C121 C122 1.511(9) .
C121 H12A 0.9600 .
C121 H12B 0.9600 .
C121 H12C 0.9600 .
C122 C126 1.383(9) .
C122 C123 1.400(9) .
C123 C124 1.394(9) .
C123 H123 0.9300 .
C124 C125 1.396(9) .
C124 H124 0.9300 .
C125 H125 0.9300 .
C126 H126 0.9300 .
N15 C131 1.338(9) .
N15 C132 1.345(9) .
C127 C128 1.516(9) .
C127 H12D 0.9600 .
C127 H12E 0.9600 .
C127 H12F 0.9600 .
C128 C129 1.386(9) .
C128 C132 1.397(9) .
C129 C130 1.387(9) .
C129 H129 0.9300 .
C130 C131 1.396(9) .
C130 H130 0.9300 .
C131 H131 0.9300 .
C132 H132 0.9300 .
N16 C138 1.315(9) .
N16 C137 1.341(10) .
C133 C134 1.527(9) .
C133 H13A 0.9600 .
C133 H13B 0.9600 .
C133 H13C 0.9600 .
C134 C138 1.402(9) .
C134 C135 1.406(10) .
C135 C136 1.413(10) .
C135 H135 0.9300 .
C136 C137 1.414(10) .
C136 H136 0.9300 .
C137 H137 0.9300 .
C138 H138 0.9300 .
