#------------------------------------------------------------------------------
#$Date: 2016-03-25 22:31:57 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180014 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/08/7030867.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_7030867
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(C6 H8 N),(C36 H24 Fe N6 2+), C21 H15 Cl13 O28 Pr4 Sb12,2(C6 H7 N),3(H2 O)'
_chemical_formula_sum            'C81 H75 Cl13 Fe N10 O31 Pr4 Sb12'
_chemical_formula_weight         4225.85
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014
_cell_angle_alpha                90
_cell_angle_beta                 95.917(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   12.8307(3)
_cell_length_b                   27.0624(9)
_cell_length_c                   32.2935(7)
_cell_measurement_reflns_used    17978
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      29.0250
_cell_measurement_theta_min      2.4700
_cell_volume                     11153.5(5)
_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-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      295(2)
_diffrn_detector_area_resol_mean 16.2083
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_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  0.0266
_diffrn_reflns_av_unetI/netI     0.0403
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       39
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            49890
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.371
_diffrn_reflns_theta_min         2.345
_diffrn_source                   'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    5.076
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.56898
_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            red
_exptl_crystal_density_diffrn    2.517
_exptl_crystal_description       sheet
_exptl_crystal_F_000             7896
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.885
_refine_diff_density_min         -1.214
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.994
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1513
_refine_ls_number_reflns         22772
_refine_ls_number_restraints     1332
_refine_ls_restrained_S_all      0.972
_refine_ls_R_factor_all          0.0536
_refine_ls_R_factor_gt           0.0380
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0350P)²+46.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0831
_refine_ls_wR_factor_ref         0.0916
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18097
_reflns_number_total             22772
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4dt00771a2.cif
_cod_data_source_block           compound-3
_cod_depositor_comments
'Adding full bibliography for 7030865--7030869.cif.'
_cod_database_code               7030867
#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           2014-3
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_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 0.57468(3) 0.60433(2) 0.78774(2) 0.02546(8) Uani 1 1 d . . . . .
Pr2 Pr 0.31323(2) 0.47788(2) 0.77555(2) 0.02393(8) Uani 1 1 d . . . . .
Pr3 Pr 0.58120(3) 0.47768(2) 0.67868(2) 0.02654(8) Uani 1 1 d . . . . .
Pr4 Pr 0.31179(3) 0.60334(2) 0.67071(2) 0.02786(8) Uani 1 1 d . . . . .
Sb1 Sb 0.54631(3) 0.49226(2) 0.84838(2) 0.02577(9) Uani 1 1 d . . . . .
Sb2 Sb 0.74819(3) 0.49097(2) 0.77975(2) 0.02880(10) Uani 1 1 d . . . . .
Sb3 Sb 0.54647(3) 0.39668(2) 0.76967(2) 0.02823(10) Uani 1 1 d . . . . .
Sb4 Sb 0.34298(3) 0.39941(2) 0.68405(2) 0.03112(10) Uani 1 1 d . . . . .
Sb5 Sb 0.34575(3) 0.49461(2) 0.60493(2) 0.03165(11) Uani 1 1 d . . . . .
Sb6 Sb 0.14248(3) 0.49356(2) 0.67498(2) 0.02851(10) Uani 1 1 d . . . . .
Sb7 Sb 0.14197(3) 0.58793(2) 0.75615(2) 0.02807(10) Uani 1 1 d . . . . .
Sb8 Sb 0.34282(3) 0.68256(2) 0.76541(2) 0.02972(10) Uani 1 1 d . . . . .
Sb9 Sb 0.34272(3) 0.58590(2) 0.84429(2) 0.02642(9) Uani 1 1 d . . . . .
Sb10 Sb 0.74845(3) 0.58871(2) 0.70009(2) 0.02939(10) Uani 1 1 d . . . . .
Sb11 Sb 0.54694(3) 0.68183(2) 0.69482(2) 0.03087(10) Uani 1 1 d . . . . .
Sb12 Sb 0.54517(3) 0.59121(2) 0.61332(2) 0.03337(11) Uani 1 1 d . . . . .
Cl1 Cl 0.44711(11) 0.54028(6) 0.72763(4) 0.0247(3) Uani 1 1 d . . . . .
Cl2 Cl 0.80864(14) 0.60861(8) 0.79483(6) 0.0508(5) Uani 1 1 d . . . . .
Cl3 Cl 0.59287(18) 0.71163(7) 0.79214(6) 0.0548(5) Uani 1 1 d . . . . .
Cl4 Cl 0.31115(12) 0.47539(6) 0.86727(5) 0.0333(4) Uani 1 1 d . . . . .
Cl5 Cl 0.31440(16) 0.36704(7) 0.77280(6) 0.0511(5) Uani 1 1 d . . . . .
Cl6 Cl 0.5788(2) 0.47475(13) 0.58617(9) 0.0944(9) Uani 1 1 d . . . . .
Cl7 Cl 0.30045(14) 0.60638(8) 0.57794(5) 0.0470(5) Uani 1 1 d . . . . .
Cl8 Cl 0.07921(14) 0.60213(8) 0.66149(6) 0.0457(4) Uani 1 1 d . . . . .
Cl9 Cl 0.70961(15) 0.41410(8) 0.84691(6) 0.0507(5) Uani 1 1 d . . . . .
Cl10 Cl 0.17706(16) 0.41495(9) 0.61012(6) 0.0564(5) Uani 1 1 d . . . . .
Cl11 Cl 0.17303(18) 0.66864(8) 0.82265(6) 0.0597(6) Uani 1 1 d . . . . .
Cl12 Cl 0.70708(15) 0.67154(8) 0.63538(6) 0.0498(5) Uani 1 1 d . . . . .
Cl13 Cl 0.95361(15) 0.49481(11) 0.73012(6) 0.0682(7) Uani 1 1 d . . . . .
O1 O 0.6404(3) 0.63072(16) 0.72186(12) 0.0293(10) Uani 1 1 d . . . . .
O2 O 0.4425(3) 0.65197(16) 0.72932(12) 0.0288(10) Uani 1 1 d . . . . .
O3 O 0.4056(3) 0.63479(16) 0.80774(12) 0.0282(10) Uani 1 1 d . . . . .
O4 O 0.4477(3) 0.54280(15) 0.82135(11) 0.0242(9) Uani 1 1 d . . . . .
O5 O 0.6409(3) 0.52279(16) 0.81069(12) 0.0276(9) Uani 1 1 d . . . . .
O6 O 0.6950(3) 0.53263(17) 0.73121(12) 0.0315(10) Uani 1 1 d . . . . .
O7 O 0.6461(3) 0.56068(17) 0.65563(12) 0.0311(10) Uani 1 1 d . . . . .
O8 O 0.4803(3) 0.63614(17) 0.65195(13) 0.0329(10) Uani 1 1 d . . . . .
O9 O 0.2467(3) 0.63310(16) 0.73583(13) 0.0300(10) Uani 1 1 d . . . . .
O10 O 0.2444(3) 0.55790(16) 0.79941(12) 0.0269(9) Uani 1 1 d . . . . .
O11 O 0.4833(3) 0.44874(16) 0.80441(12) 0.0271(9) Uani 1 1 d . . . . .
O12 O 0.6523(3) 0.44254(16) 0.74934(13) 0.0299(10) Uani 1 1 d . . . . .
O13 O 0.4492(3) 0.54083(18) 0.63409(12) 0.0335(11) Uani 1 1 d . . . . .
O14 O 0.2013(3) 0.53495(17) 0.72311(12) 0.0307(10) Uani 1 1 d . . . . .
O15 O 0.4536(3) 0.42832(17) 0.72410(13) 0.0343(11) Uani 1 1 d . . . . .
O16 O 0.2519(3) 0.52355(17) 0.64375(12) 0.0287(10) Uani 1 1 d . . . . .
O17 O 0.2446(3) 0.44613(16) 0.70538(12) 0.0290(10) Uani 1 1 d . . . . .
O18 O 0.4064(3) 0.44635(17) 0.64636(12) 0.0319(10) Uani 1 1 d . . . . .
O19 O 0.1336(3) 0.4561(2) 0.79170(14) 0.0459(13) Uani 1 1 d . . . . .
H19A H 0.1131 0.4664 0.8144 0.069 Uiso 1 1 d R U . . .
H19B H 0.0835 0.4584 0.7724 0.069 Uiso 1 1 d R U . . .
O20 O 0.7722(4) 0.4681(2) 0.66540(17) 0.0598(16) Uani 1 1 d . . . . .
H20A H 0.8198 0.4771 0.6827 0.090 Uiso 1 1 d R U . . .
H20B H 0.7863 0.4504 0.6461 0.090 Uiso 1 1 d R U . . .
O21 O 0.6085(4) 0.6132(2) 0.85992(13) 0.0496(14) Uani 1 1 d . . . . .
O22 O 0.5181(5) 0.5832(3) 0.91025(17) 0.072(2) Uani 1 1 d . . . . .
O23 O 0.9301(4) 0.6889(2) 0.93326(16) 0.0513(14) Uani 1 1 d . . . . .
O24 O 0.7458(4) 0.62304(18) 1.04114(13) 0.0479(14) Uani 1 1 d . . . . .
O25 O 0.9228(7) 0.8423(2) 0.78752(19) 0.096(3) Uani 1 1 d . . . . .
O26 O 0.8840(5) 0.8915(2) 0.83749(18) 0.0583(15) Uani 1 1 d . . . . .
O27 O 0.7719(4) 0.8140(2) 1.15391(17) 0.0518(14) Uani 1 1 d . . . . .
O28 O 0.857(3) 0.7588(5) 1.1953(6) 0.080(7) Uani 0.69(6) 1 d D U P A 1
O28A O 0.801(5) 0.7597(11) 1.2011(5) 0.060(9) Uani 0.31(6) 1 d D U P A 2
C1 C 0.5933(6) 0.6055(3) 0.8977(2) 0.0405(17) Uani 1 1 d . . . . .
C2 C 0.6775(5) 0.6252(2) 0.92912(19) 0.0325(15) Uani 1 1 d . . . . .
C3 C 0.6711(6) 0.6177(3) 0.97088(19) 0.0357(16) Uani 1 1 d . . . . .
H3 H 0.6136 0.6016 0.9799 0.043 Uiso 1 1 calc R U . . .
C4 C 0.7510(6) 0.6343(3) 0.99915(18) 0.0351(16) Uani 1 1 d . . . . .
C5 C 0.8372(6) 0.6583(3) 0.98681(19) 0.0366(16) Uani 1 1 d . . . . .
H5 H 0.8913 0.6689 1.0062 0.044 Uiso 1 1 calc R U . . .
C6 C 0.8407(5) 0.6660(3) 0.9452(2) 0.0336(15) Uani 1 1 d . . . . .
C7 C 0.7620(5) 0.6503(2) 0.91569(19) 0.0318(15) Uani 1 1 d . . . . .
H7 H 0.7657 0.6563 0.8875 0.038 Uiso 1 1 calc R U . . .
C8 C 0.9165(5) 0.7276(3) 0.9053(2) 0.0378(16) Uani 1 1 d . . . . .
C9 C 0.9660(6) 0.7250(3) 0.8698(2) 0.051(2) Uani 1 1 d . . . . .
H9 H 1.0026 0.6968 0.8635 0.061 Uiso 1 1 calc R U . . .
C10 C 0.9601(6) 0.7656(3) 0.8433(2) 0.052(2) Uani 1 1 d . . . . .
H10 H 0.9939 0.7647 0.8192 0.062 Uiso 1 1 calc R U . . .
C11 C 0.9047(5) 0.8071(3) 0.8524(2) 0.0382(16) Uani 1 1 d . . . . .
C12 C 0.8560(6) 0.8091(3) 0.8884(2) 0.051(2) Uani 1 1 d . . . . .
H12 H 0.8198 0.8374 0.8950 0.061 Uiso 1 1 calc R U . . .
C13 C 0.8614(6) 0.7684(3) 0.9149(2) 0.052(2) Uani 1 1 d . . . . .
H13 H 0.8276 0.7691 0.9390 0.062 Uiso 1 1 calc R U . . .
C14 C 0.9046(6) 0.8516(3) 0.8243(2) 0.0425(18) Uani 1 1 d . . . . .
C15 C 0.7558(5) 0.6612(2) 1.06982(18) 0.0307(14) Uani 1 1 d . . . . .
C16 C 0.7360(5) 0.7104(3) 1.0593(2) 0.0383(17) Uani 1 1 d . . . . .
H16 H 0.7157 0.7193 1.0318 0.046 Uiso 1 1 calc R U . . .
C17 C 0.7467(5) 0.7452(3) 1.08979(19) 0.0336(15) Uani 1 1 d . . . . .
H17 H 0.7333 0.7782 1.0831 0.040 Uiso 1 1 calc R U . . .
C18 C 0.7775(5) 0.7321(2) 1.13080(19) 0.0319(15) Uani 1 1 d . . . . .
C19 C 0.7935(5) 0.6828(3) 1.14062(19) 0.0351(16) Uani 1 1 d . . . . .
H19 H 0.8130 0.6737 1.1681 0.042 Uiso 1 1 calc R U . . .
C20 C 0.7812(5) 0.6471(3) 1.11036(19) 0.0350(16) Uani 1 1 d . . . . .
H20 H 0.7900 0.6139 1.1172 0.042 Uiso 1 1 calc R U . . .
C21 C 0.7977(7) 0.7720(3) 1.1631(2) 0.049(2) Uani 1 1 d D . . . .
Fe1 Fe 0.69618(7) 0.29247(3) 1.00099(3) 0.02596(19) Uani 1 1 d . . . . .
N1 N 0.6101(4) 0.3464(2) 0.97411(15) 0.0284(12) Uani 1 1 d . . . . .
N2 N 0.7638(4) 0.3476(2) 1.03343(15) 0.0282(12) Uani 1 1 d . . . . .
N3 N 0.7992(4) 0.2958(2) 0.95961(16) 0.0284(12) Uani 1 1 d . . . . .
N4 N 0.7915(4) 0.2402(2) 1.02543(16) 0.0312(12) Uani 1 1 d . . . . .
N5 N 0.5947(4) 0.2810(2) 1.04189(15) 0.0290(12) Uani 1 1 d . . . . .
N6 N 0.6128(4) 0.2412(2) 0.96939(15) 0.0288(12) Uani 1 1 d . . . . .
C22 C 0.5332(5) 0.3455(3) 0.9433(2) 0.0376(16) Uani 1 1 d . . . . .
H22A H 0.5122 0.3151 0.9318 0.045 Uiso 1 1 calc R U . . .
C23 C 0.4833(5) 0.3874(3) 0.9276(2) 0.0439(19) Uani 1 1 d . . . . .
H23A H 0.4307 0.3849 0.9057 0.053 Uiso 1 1 calc R U . . .
C24 C 0.5099(5) 0.4331(3) 0.9439(2) 0.0419(18) Uani 1 1 d . . . . .
H24A H 0.4744 0.4612 0.9338 0.050 Uiso 1 1 calc R U . . .
C25 C 0.5911(5) 0.4363(3) 0.9759(2) 0.0344(15) Uani 1 1 d . . . . .
C26 C 0.6293(6) 0.4812(3) 0.9946(2) 0.0439(18) Uani 1 1 d . . . . .
H26A H 0.6001 0.5110 0.9847 0.053 Uiso 1 1 calc R U . . .
C27 C 0.7064(6) 0.4818(3) 1.0260(2) 0.0405(17) Uani 1 1 d . . . . .
H27A H 0.7281 0.5116 1.0383 0.049 Uiso 1 1 calc R U . . .
C28 C 0.7557(5) 0.4366(3) 1.0407(2) 0.0351(15) Uani 1 1 d . . . . .
C29 C 0.8367(5) 0.4346(3) 1.0729(2) 0.0368(16) Uani 1 1 d . . . . .
H29A H 0.8604 0.4631 1.0869 0.044 Uiso 1 1 calc R U . . .
C30 C 0.8809(5) 0.3894(3) 1.0836(2) 0.0403(17) Uani 1 1 d . . . . .
H30A H 0.9364 0.3872 1.1044 0.048 Uiso 1 1 calc R U . . .
C31 C 0.8423(5) 0.3470(3) 1.0631(2) 0.0381(16) Uani 1 1 d . . . . .
H31A H 0.8733 0.3169 1.0708 0.046 Uiso 1 1 calc R U . . .
C32 C 0.7223(5) 0.3924(2) 1.02252(18) 0.0279(14) Uani 1 1 d . . . . .
C33 C 0.6376(5) 0.3917(2) 0.98999(19) 0.0285(14) Uani 1 1 d . . . . .
C34 C 0.8036(5) 0.3258(3) 0.9274(2) 0.0389(17) Uani 1 1 d . . . . .
H34A H 0.7539 0.3507 0.9230 0.047 Uiso 1 1 calc R U . . .
C35 C 0.8797(6) 0.3214(3) 0.9001(2) 0.050(2) Uani 1 1 d . . . . .
H35A H 0.8798 0.3432 0.8778 0.060 Uiso 1 1 calc R U . . .
C36 C 0.9535(6) 0.2859(3) 0.9054(2) 0.052(2) Uani 1 1 d . . . . .
H36A H 1.0045 0.2832 0.8870 0.062 Uiso 1 1 calc R U . . .
C37 C 0.9524(5) 0.2526(3) 0.9391(2) 0.0396(17) Uani 1 1 d . . . . .
C38 C 1.0232(6) 0.2123(3) 0.9476(3) 0.049(2) Uani 1 1 d . . . . .
H38A H 1.0742 0.2063 0.9298 0.059 Uiso 1 1 calc R U . . .
C39 C 1.0176(6) 0.1832(3) 0.9805(3) 0.054(2) Uani 1 1 d . . . . .
H39A H 1.0648 0.1572 0.9850 0.064 Uiso 1 1 calc R U . . .
C40 C 0.9408(6) 0.1906(3) 1.0093(2) 0.0414(17) Uani 1 1 d . . . . .
C41 C 0.9311(6) 0.1631(3) 1.0449(3) 0.053(2) Uani 1 1 d . . . . .
H41A H 0.9766 0.1369 1.0518 0.063 Uiso 1 1 calc R U . . .
C42 C 0.8554(7) 0.1744(3) 1.0695(3) 0.055(2) Uani 1 1 d . . . . .
H42A H 0.8494 0.1561 1.0935 0.066 Uiso 1 1 calc R U . . .
C43 C 0.7872(6) 0.2125(3) 1.0594(2) 0.0435(18) Uani 1 1 d . . . . .
H43A H 0.7359 0.2194 1.0769 0.052 Uiso 1 1 calc R U . . .
C44 C 0.8692(5) 0.2296(2) 1.0010(2) 0.0313(15) Uani 1 1 d . . . . .
C45 C 0.8739(5) 0.2602(2) 0.9660(2) 0.0291(14) Uani 1 1 d . . . . .
C46 C 0.5900(6) 0.2998(3) 1.0798(2) 0.0384(17) Uani 1 1 d . . . . .
H46A H 0.6395 0.3233 1.0894 0.046 Uiso 1 1 calc R U . . .
C47 C 0.5151(6) 0.2860(3) 1.1057(2) 0.0407(17) Uani 1 1 d . . . . .
H47A H 0.5158 0.2998 1.1321 0.049 Uiso 1 1 calc R U . . .
C48 C 0.4407(6) 0.2524(3) 1.0922(2) 0.0437(19) Uani 1 1 d . . . . .
H48A H 0.3894 0.2434 1.1092 0.052 Uiso 1 1 calc R U . . .
C49 C 0.4417(5) 0.2314(3) 1.0529(2) 0.0339(15) Uani 1 1 d . . . . .
C50 C 0.3696(6) 0.1948(3) 1.0352(2) 0.048(2) Uani 1 1 d . . . . .
H50A H 0.3166 0.1837 1.0505 0.058 Uiso 1 1 calc R U . . .
C51 C 0.3766(6) 0.1762(3) 0.9973(2) 0.051(2) Uani 1 1 d . . . . .
H51A H 0.3273 0.1531 0.9866 0.061 Uiso 1 1 calc R U . . .
C52 C 0.4571(5) 0.1906(3) 0.9728(2) 0.0362(16) Uani 1 1 d . . . . .
C53 C 0.4711(6) 0.1715(3) 0.9336(2) 0.0438(18) Uani 1 1 d . . . . .
H53A H 0.4240 0.1486 0.9209 0.053 Uiso 1 1 calc R U . . .
C54 C 0.5554(5) 0.1869(3) 0.9141(2) 0.0409(17) Uani 1 1 d . . . . .
H54A H 0.5658 0.1741 0.8881 0.049 Uiso 1 1 calc R U . . .
C55 C 0.6248(5) 0.2210(3) 0.9326(2) 0.0372(16) Uani 1 1 d . . . . .
H55A H 0.6821 0.2302 0.9190 0.045 Uiso 1 1 calc R U . . .
C56 C 0.5297(5) 0.2259(2) 0.98920(18) 0.0269(13) Uani 1 1 d . . . . .
C57 C 0.5210(5) 0.2469(2) 1.02884(18) 0.0263(13) Uani 1 1 d . . . . .
N7 N 0.0204(5) 0.4739(3) 0.8619(2) 0.0555(19) Uani 1 1 d . . . . .
C58 C -0.0456(10) 0.4383(4) 0.9680(3) 0.100(4) Uani 1 1 d . . . . .
H58A H -0.0051 0.4567 0.9895 0.149 Uiso 1 1 calc R U . . .
H58B H -0.0141 0.4065 0.9650 0.149 Uiso 1 1 calc R U . . .
H58C H -0.1157 0.4341 0.9754 0.149 Uiso 1 1 calc R U . . .
C59 C -0.0489(7) 0.4662(4) 0.9274(3) 0.058(2) Uani 1 1 d . . . . .
C60 C -0.1074(7) 0.5077(4) 0.9188(3) 0.069(3) Uani 1 1 d . . . . .
H60 H -0.1501 0.5196 0.9382 0.082 Uiso 1 1 calc R U . . .
C61 C -0.1035(7) 0.5319(4) 0.8819(3) 0.068(3) Uani 1 1 d . . . . .
H61 H -0.1443 0.5597 0.8754 0.082 Uiso 1 1 calc R U . . .
C62 C -0.0366(6) 0.5134(3) 0.8545(3) 0.054(2) Uani 1 1 d . . . . .
H62 H -0.0323 0.5301 0.8295 0.065 Uiso 1 1 calc R U . . .
C63 C 0.0141(7) 0.4510(3) 0.8976(3) 0.058(2) Uani 1 1 d . . . . .
H63 H 0.0547 0.4228 0.9030 0.069 Uiso 1 1 calc R U . . .
N8 N 0.4301(11) 0.8298(4) 0.8077(5) 0.151(4) Uani 1 1 d . U . . .
H8A H 0.3726 0.8189 0.8159 0.181 Uiso 1 1 calc R U . . .
C64 C 0.5659(11) 0.8494(4) 0.7100(4) 0.150(5) Uani 1 1 d D U . . .
H64A H 0.6385 0.8414 0.7089 0.225 Uiso 1 1 calc R U . . .
H64B H 0.5523 0.8820 0.6990 0.225 Uiso 1 1 calc R U . . .
H64C H 0.5231 0.8260 0.6938 0.225 Uiso 1 1 calc R U . . .
C65 C 0.5402(12) 0.8476(3) 0.7553(4) 0.123(4) Uani 1 1 d D U . . .
C66 C 0.6176(13) 0.8646(4) 0.7841(4) 0.132(4) Uani 1 1 d D U . . .
H66 H 0.6815 0.8762 0.7768 0.158 Uiso 1 1 calc R U . . .
C67 C 0.5960(14) 0.8633(4) 0.8209(6) 0.139(4) Uani 1 1 d . U . . .
H67 H 0.6486 0.8752 0.8403 0.167 Uiso 1 1 calc R U . . .
C68 C 0.5152(15) 0.8488(4) 0.8362(6) 0.141(4) Uani 1 1 d . U . . .
H68 H 0.5103 0.8501 0.8647 0.169 Uiso 1 1 calc R U . . .
C69 C 0.4503(11) 0.8306(4) 0.7636(4) 0.122(4) Uani 1 1 d D U . . .
H69 H 0.4006 0.8195 0.7427 0.147 Uiso 1 1 calc R U . . .
N9 N 0.8007(16) 0.7545(8) 0.7245(6) 0.098(4) Uani 0.549(12) 1 d D U P B 1
H9A H 0.7378 0.7653 0.7250 0.118 Uiso 0.549(12) 1 calc R U P B 1
C70 C 1.0157(15) 0.7810(8) 0.6601(5) 0.101(6) Uani 0.549(12) 1 d D U P B 1
H70A H 0.9742 0.8061 0.6453 0.152 Uiso 0.549(12) 1 calc R U P B 1
H70B H 1.0791 0.7953 0.6732 0.152 Uiso 0.549(12) 1 calc R U P B 1
H70C H 1.0327 0.7558 0.6409 0.152 Uiso 0.549(12) 1 calc R U P B 1
C71 C 0.9534(19) 0.7580(10) 0.6933(8) 0.088(4) Uani 0.549(12) 1 d D U P B 1
C72 C 0.985(2) 0.7249(9) 0.7173(7) 0.095(4) Uani 0.549(12) 1 d D U P B 1
H72A H 1.0494 0.7108 0.7137 0.114 Uiso 0.549(12) 1 calc R U P B 1
C73 C 0.929(2) 0.7056(11) 0.7513(7) 0.090(4) Uani 0.549(12) 1 d . U P B 1
H73A H 0.9614 0.6842 0.7711 0.108 Uiso 0.549(12) 1 calc R U P B 1
C74 C 0.832(3) 0.7193(15) 0.7528(12) 0.090(4) Uani 0.549(12) 1 d D U P B 1
H74A H 0.7889 0.7062 0.7715 0.108 Uiso 0.549(12) 1 calc R U P B 1
C75 C 0.8569(17) 0.7747(9) 0.6956(7) 0.089(4) Uani 0.549(12) 1 d D U P B 1
H75A H 0.8289 0.7995 0.6779 0.107 Uiso 0.549(12) 1 calc R U P B 1
N9B N 0.833(3) 0.7184(15) 0.7466(11) 0.088(4) Uani 0.451(12) 1 d D U P B 2
H9B H 0.8089 0.6986 0.7642 0.106 Uiso 0.451(12) 1 calc R U P B 2
C70B C 1.0801(15) 0.7346(10) 0.7027(8) 0.103(6) Uani 0.451(12) 1 d D U P B 2
H70D H 1.1055 0.7076 0.7202 0.154 Uiso 0.451(12) 1 calc R U P B 2
H70E H 1.0902 0.7273 0.6743 0.154 Uiso 0.451(12) 1 calc R U P B 2
H70F H 1.1178 0.7641 0.7113 0.154 Uiso 0.451(12) 1 calc R U P B 2
C71B C 0.9622(18) 0.7423(13) 0.7064(11) 0.093(4) Uani 0.451(12) 1 d D U P B 2
C72B C 0.9069(19) 0.7726(12) 0.6889(10) 0.089(4) Uani 0.451(12) 1 d D U P B 2
H72B H 0.9301 0.7903 0.6669 0.106 Uiso 0.451(12) 1 calc R U P B 2
C73B C 0.808(3) 0.7819(12) 0.7011(9) 0.091(4) Uani 0.451(12) 1 d . U P B 2
H73B H 0.7664 0.8058 0.6868 0.109 Uiso 0.451(12) 1 calc R U P B 2
C74B C 0.769(2) 0.7561(12) 0.7346(9) 0.090(4) Uani 0.451(12) 1 d D U P B 2
H74B H 0.7076 0.7641 0.7463 0.108 Uiso 0.451(12) 1 calc R U P B 2
C75B C 0.928(2) 0.7065(12) 0.7359(8) 0.089(4) Uani 0.451(12) 1 d D U P B 2
H75B H 0.9662 0.6791 0.7459 0.107 Uiso 0.451(12) 1 calc R U P B 2
N10 N 1.0631(15) 0.5510(7) 0.5207(7) 0.167(5) Uani 0.571(9) 1 d D U P C 1
C76 C 0.882(2) 0.5350(9) 0.6008(6) 0.194(7) Uani 0.571(9) 1 d D U P C 1
H76A H 0.8144 0.5499 0.6009 0.291 Uiso 0.571(9) 1 calc R U P C 1
H76B H 0.9282 0.5474 0.6238 0.291 Uiso 0.571(9) 1 calc R U P C 1
H76C H 0.8762 0.4998 0.6032 0.291 Uiso 0.571(9) 1 calc R U P C 1
C77 C 0.9280(15) 0.5478(5) 0.5595(6) 0.171(5) Uani 0.571(9) 1 d D U P C 1
C79 C 0.9075(19) 0.5778(8) 0.4922(6) 0.168(5) Uani 0.571(9) 1 d D U P C 1
H79 H 0.8661 0.5911 0.4696 0.202 Uiso 0.571(9) 1 calc R U P C 1
C78 C 0.8556(15) 0.5680(7) 0.5278(6) 0.161(5) Uani 0.571(9) 1 d D U P C 1
H78 H 0.7850 0.5738 0.5301 0.194 Uiso 0.571(9) 1 calc R U P C 1
C80 C 1.013(2) 0.5700(7) 0.4862(6) 0.164(5) Uani 0.571(9) 1 d D U P C 1
H80 H 1.0434 0.5771 0.4619 0.197 Uiso 0.571(9) 1 calc R U P C 1
C81 C 1.0353(16) 0.5381(7) 0.5581(7) 0.167(5) Uani 0.571(9) 1 d D U P C 1
H81 H 1.0800 0.5247 0.5797 0.201 Uiso 0.571(9) 1 calc R U P C 1
N10A N 0.783(2) 0.5932(9) 0.5030(7) 0.170(5) Uani 0.429(9) 1 d D U P C 2
C76A C 1.027(2) 0.5368(11) 0.5553(10) 0.167(7) Uani 0.429(9) 1 d D U P C 2
H76D H 1.0339 0.5178 0.5805 0.251 Uiso 0.429(9) 1 calc R U P C 2
H76E H 1.0483 0.5171 0.5329 0.251 Uiso 0.429(9) 1 calc R U P C 2
H76F H 1.0708 0.5656 0.5589 0.251 Uiso 0.429(9) 1 calc R U P C 2
C77A C 0.913(2) 0.5526(7) 0.5452(6) 0.171(5) Uani 0.429(9) 1 d D U P C 2
C78A C 0.839(2) 0.5380(9) 0.5721(7) 0.168(5) Uani 0.429(9) 1 d D U P C 2
H78A H 0.8588 0.5191 0.5957 0.201 Uiso 0.429(9) 1 calc R U P C 2
C79A C 0.736(2) 0.5532(10) 0.5619(9) 0.174(6) Uani 0.429(9) 1 d D U P C 2
H79A H 0.6857 0.5443 0.5792 0.209 Uiso 0.429(9) 1 calc R U P C 2
C80A C 0.707(2) 0.5815(9) 0.5261(9) 0.170(6) Uani 0.429(9) 1 d D U P C 2
H80A H 0.6382 0.5916 0.5191 0.204 Uiso 0.429(9) 1 calc R U P C 2
C81A C 0.885(2) 0.5807(9) 0.5097(7) 0.169(5) Uani 0.429(9) 1 d D U P C 2
H81A H 0.9336 0.5903 0.4918 0.203 Uiso 0.429(9) 1 calc R U P C 2
O1W O 0.8433(7) 0.4147(3) 0.5903(2) 0.108(3) Uani 1 1 d . . . . .
O2W O 0.246(2) 0.7787(9) 0.8319(11) 0.247(16) Uani 0.5 1 d . . P . .
O3W O 0.6865(19) 0.4084(9) 0.5301(7) 0.207(9) Uiso 0.6 1 d . . P . .
O4W O 0.774(3) 0.4502(15) 0.5104(12) 0.232(16) Uiso 0.4 1 d . . P . .
O5W O 0.504(3) 0.5346(14) 0.5148(12) 0.306(19) Uiso 0.5 1 d . . P . .
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
O21 Pr1 O5 76.60(17) . .
O21 Pr1 O3 77.46(16) . .
O5 Pr1 O3 120.54(13) . .
O21 Pr1 O1 141.53(17) . .
O5 Pr1 O1 112.43(14) . .
O3 Pr1 O1 121.02(13) . .
O21 Pr1 O4 73.39(16) . .
O5 Pr1 O4 61.14(13) . .
O3 Pr1 O4 60.44(13) . .
O1 Pr1 O4 144.62(13) . .
O21 Pr1 O2 132.77(16) . .
O5 Pr1 O2 143.71(13) . .
O3 Pr1 O2 61.47(12) . .
O1 Pr1 O2 60.74(12) . .
O4 Pr1 O2 102.50(12) . .
O21 Pr1 Cl3 81.00(15) . .
O5 Pr1 Cl3 149.12(11) . .
O3 Pr1 Cl3 73.91(11) . .
O1 Pr1 Cl3 73.83(11) . .
O4 Pr1 Cl3 131.14(10) . .
O2 Pr1 Cl3 66.66(10) . .
O21 Pr1 Cl1 138.20(14) . .
O5 Pr1 Cl1 79.78(10) . .
O3 Pr1 Cl1 85.74(10) . .
O1 Pr1 Cl1 79.62(10) . .
O4 Pr1 Cl1 65.05(9) . .
O2 Pr1 Cl1 64.00(10) . .
Cl3 Pr1 Cl1 130.53(5) . .
O21 Pr1 Cl2 80.67(14) . .
O5 Pr1 Cl2 72.40(10) . .
O3 Pr1 Cl2 150.45(11) . .
O1 Pr1 Cl2 68.04(10) . .
O4 Pr1 Cl2 130.57(9) . .
O2 Pr1 Cl2 125.63(9) . .
Cl3 Pr1 Cl2 83.28(6) . .
Cl1 Pr1 Cl2 123.70(5) . .
O21 Pr1 Sb11 138.85(14) . .
O5 Pr1 Sb11 140.12(9) . .
O3 Pr1 Sb11 90.53(9) . .
O1 Pr1 Sb11 30.63(10) . .
O4 Pr1 Sb11 133.53(8) . .
O2 Pr1 Sb11 32.68(8) . .
Cl3 Pr1 Sb11 57.86(4) . .
Cl1 Pr1 Sb11 78.29(3) . .
Cl2 Pr1 Sb11 93.03(4) . .
O21 Pr1 Sb1 64.47(14) . .
O5 Pr1 Sb1 30.71(9) . .
O3 Pr1 Sb1 89.89(10) . .
O1 Pr1 Sb1 139.77(10) . .
O4 Pr1 Sb1 32.34(8) . .
O2 Pr1 Sb1 132.44(9) . .
Cl3 Pr1 Sb1 144.46(4) . .
Cl1 Pr1 Sb1 77.68(3) . .
Cl2 Pr1 Sb1 98.40(4) . .
Sb11 Pr1 Sb1 155.870(14) . .
O21 Pr1 Sb8 101.56(14) . .
O5 Pr1 Sb8 146.01(9) . .
O3 Pr1 Sb8 30.72(9) . .
O1 Pr1 Sb8 90.32(10) . .
O4 Pr1 Sb8 85.55(9) . .
O2 Pr1 Sb8 32.42(8) . .
Cl3 Pr1 Sb8 59.54(5) . .
Cl1 Pr1 Sb8 80.02(3) . .
Cl2 Pr1 Sb8 141.41(4) . .
Sb11 Pr1 Sb8 59.814(11) . .
Sb1 Pr1 Sb8 117.537(13) . .
O11 Pr2 O19 131.45(16) . .
O11 Pr2 O10 119.98(13) . .
O19 Pr2 O10 77.01(16) . .
O11 Pr2 O17 117.25(14) . .
O19 Pr2 O17 82.01(14) . .
O10 Pr2 O17 118.47(13) . .
O11 Pr2 O14 149.13(14) . .
O19 Pr2 O14 79.42(15) . .
O10 Pr2 O14 59.82(13) . .
O17 Pr2 O14 59.74(13) . .
O11 Pr2 O4 60.94(13) . .
O19 Pr2 O4 125.20(14) . .
O10 Pr2 O4 60.42(12) . .
O17 Pr2 O4 147.33(13) . .
O14 Pr2 O4 103.95(13) . .
O11 Pr2 O15 58.71(12) . .
O19 Pr2 O15 130.85(15) . .
O10 Pr2 O15 147.13(13) . .
O17 Pr2 O15 60.20(12) . .
O14 Pr2 O15 103.56(12) . .
O4 Pr2 O15 102.06(12) . .
O11 Pr2 Cl1 80.67(10) . .
O19 Pr2 Cl1 147.82(12) . .
O10 Pr2 Cl1 84.78(10) . .
O17 Pr2 Cl1 83.75(10) . .
O14 Pr2 Cl1 68.48(10) . .
O4 Pr2 Cl1 63.59(8) . .
O15 Pr2 Cl1 62.36(9) . .
O11 Pr2 Cl4 73.02(10) . .
O19 Pr2 Cl4 71.40(11) . .
O10 Pr2 Cl4 70.78(9) . .
O17 Pr2 Cl4 149.29(10) . .
O14 Pr2 Cl4 126.89(9) . .
O4 Pr2 Cl4 63.38(8) . .
O15 Pr2 Cl4 129.16(9) . .
Cl1 Pr2 Cl4 126.95(4) . .
O11 Pr2 Cl5 71.22(11) . .
O19 Pr2 Cl5 77.09(13) . .
O10 Pr2 Cl5 151.78(10) . .
O17 Pr2 Cl5 68.38(11) . .
O14 Pr2 Cl5 125.19(11) . .
O4 Pr2 Cl5 130.00(9) . .
O15 Pr2 Cl5 61.04(10) . .
Cl1 Pr2 Cl5 123.39(5) . .
Cl4 Pr2 Cl5 90.43(5) . .
O11 Pr2 Sb1 29.97(10) . .
O19 Pr2 Sb1 127.53(11) . .
O10 Pr2 Sb1 90.07(9) . .
O17 Pr2 Sb1 144.55(10) . .
O14 Pr2 Sb1 135.92(10) . .
O4 Pr2 Sb1 33.14(8) . .
O15 Pr2 Sb1 84.38(8) . .
Cl1 Pr2 Sb1 78.09(3) . .
Cl4 Pr2 Sb1 56.42(3) . .
Cl5 Pr2 Sb1 96.89(4) . .
O11 Pr2 Sb9 89.65(10) . .
O19 Pr2 Sb9 95.87(12) . .
O10 Pr2 Sb9 30.38(9) . .
O17 Pr2 Sb9 145.93(10) . .
O14 Pr2 Sb9 86.36(9) . .
O4 Pr2 Sb9 32.24(8) . .
O15 Pr2 Sb9 133.14(9) . .
Cl1 Pr2 Sb9 80.34(3) . .
Cl4 Pr2 Sb9 54.86(3) . .
Cl5 Pr2 Sb9 144.52(4) . .
Sb1 Pr2 Sb9 59.706(11) . .
O26 Pr3 O18 76.39(18) 2_646 .
O26 Pr3 O7 135.32(17) 2_646 .
O18 Pr3 O7 118.80(14) . .
O26 Pr3 O20 70.5(2) 2_646 .
O18 Pr3 O20 136.65(16) . .
O7 Pr3 O20 71.89(17) . .
O26 Pr3 O12 77.22(17) 2_646 .
O18 Pr3 O12 117.75(14) . .
O7 Pr3 O12 119.67(13) . .
O20 Pr3 O12 81.43(16) . .
O26 Pr3 O6 125.82(17) 2_646 .
O18 Pr3 O6 151.84(14) . .
O7 Pr3 O6 60.23(13) . .
O20 Pr3 O6 71.40(16) . .
O12 Pr3 O6 60.20(13) . .
O26 Pr3 O15 77.01(17) 2_646 .
O18 Pr3 O15 59.26(13) . .
O7 Pr3 O15 147.64(14) . .
O20 Pr3 O15 134.30(16) . .
O12 Pr3 O15 60.32(13) . .
O6 Pr3 O15 105.31(13) . .
O26 Pr3 O13 127.31(17) 2_646 .
O18 Pr3 O13 60.79(14) . .
O7 Pr3 O13 59.46(13) . .
O20 Pr3 O13 122.28(16) . .
O12 Pr3 O13 148.80(13) . .
O6 Pr3 O13 105.37(14) . .
O15 Pr3 O13 102.84(13) . .
O26 Pr3 Cl1 141.68(14) 2_646 .
O18 Pr3 Cl1 82.73(10) . .
O7 Pr3 Cl1 82.94(10) . .
O20 Pr3 Cl1 139.97(14) . .
O12 Pr3 Cl1 84.86(10) . .
O6 Pr3 Cl1 69.14(10) . .
O15 Pr3 Cl1 64.69(10) . .
O13 Pr3 Cl1 63.94(9) . .
O26 Pr3 Cl6 75.16(15) 2_646 .
O18 Pr3 Cl6 70.10(11) . .
O7 Pr3 Cl6 72.50(11) . .
O20 Pr3 Cl6 74.90(14) . .
O12 Pr3 Cl6 148.28(11) . .
O6 Pr3 Cl6 128.14(11) . .
O15 Pr3 Cl6 126.39(11) . .
O13 Pr3 Cl6 62.87(11) . .
Cl1 Pr3 Cl6 126.76(7) . .
O26 Pr3 Sb5 97.86(14) 2_646 .
O18 Pr3 Sb5 30.40(10) . .
O7 Pr3 Sb5 88.41(9) . .
O20 Pr3 Sb5 130.14(13) . .
O12 Pr3 Sb5 145.03(9) . .
O6 Pr3 Sb5 136.27(10) . .
O15 Pr3 Sb5 84.76(9) . .
O13 Pr3 Sb5 31.95(9) . .
Cl1 Pr3 Sb5 78.00(3) . .
Cl6 Pr3 Sb5 55.39(6) . .
O26 Pr3 Sb10 134.22(14) 2_646 .
O18 Pr3 Sb10 145.20(11) . .
O7 Pr3 Sb10 30.32(9) . .
O20 Pr3 Sb10 64.26(14) . .
O12 Pr3 Sb10 89.35(10) . .
O6 Pr3 Sb10 30.48(9) . .
O15 Pr3 Sb10 132.72(9) . .
O13 Pr3 Sb10 84.63(9) . .
Cl1 Pr3 Sb10 78.21(3) . .
Cl6 Pr3 Sb10 98.85(7) . .
Sb5 Pr3 Sb10 116.093(14) . .
O27 Pr4 O16 135.48(17) 4_575 .
O27 Pr4 O8 77.06(17) 4_575 .
O16 Pr4 O8 119.05(14) . .
O27 Pr4 O9 78.56(17) 4_575 .
O16 Pr4 O9 118.20(14) . .
O8 Pr4 O9 118.16(14) . .
O27 Pr4 O2 78.74(17) 4_575 .
O16 Pr4 O2 145.78(13) . .
O8 Pr4 O2 60.44(13) . .
O9 Pr4 O2 59.46(13) . .
O27 Pr4 O13 127.74(16) 4_575 .
O16 Pr4 O13 59.92(13) . .
O8 Pr4 O13 60.47(14) . .
O9 Pr4 O13 147.11(13) . .
O2 Pr4 O13 102.47(12) . .
O27 Pr4 Cl1 143.00(15) 4_575 .
O16 Pr4 Cl1 81.52(10) . .
O8 Pr4 Cl1 83.49(10) . .
O9 Pr4 Cl1 83.51(10) . .
O2 Pr4 Cl1 64.28(9) . .
O13 Pr4 Cl1 63.60(9) . .
O27 Pr4 O14 128.41(16) 4_575 .
O16 Pr4 O14 59.75(12) . .
O8 Pr4 O14 147.84(13) . .
O9 Pr4 O14 59.69(13) . .
O2 Pr4 O14 101.58(11) . .
O13 Pr4 O14 102.91(12) . .
Cl1 Pr4 O14 64.37(8) . .
O27 Pr4 Cl8 78.12(15) 4_575 .
O16 Pr4 Cl8 71.08(10) . .
O8 Pr4 Cl8 151.13(11) . .
O9 Pr4 Cl8 70.44(11) . .
O2 Pr4 Cl8 127.84(9) . .
O13 Pr4 Cl8 128.52(10) . .
Cl1 Pr4 Cl8 125.38(5) . .
O14 Pr4 Cl8 61.02(9) . .
O27 Pr4 Cl7 75.81(14) 4_575 .
O16 Pr4 Cl7 71.53(10) . .
O8 Pr4 Cl7 72.38(10) . .
O9 Pr4 Cl7 149.04(11) . .
O2 Pr4 Cl7 130.13(9) . .
O13 Pr4 Cl7 63.85(9) . .
Cl1 Pr4 Cl7 127.43(5) . .
O14 Pr4 Cl7 127.81(9) . .
Cl8 Pr4 Cl7 87.43(5) . .
O27 Pr4 Sb5 131.67(14) 4_575 .
O16 Pr4 Sb5 29.84(9) . .
O8 Pr4 Sb5 89.26(11) . .
O9 Pr4 Sb5 145.13(10) . .
O2 Pr4 Sb5 133.13(9) . .
O13 Pr4 Sb5 32.21(9) . .
Cl1 Pr4 Sb5 78.43(3) . .
O14 Pr4 Sb5 85.55(8) . .
Cl8 Pr4 Sb5 96.37(4) . .
Cl7 Pr4 Sb5 55.90(4) . .
O27 Pr4 Sb6 131.37(14) 4_575 .
O16 Pr4 Sb6 29.56(9) . .
O8 Pr4 Sb6 146.29(11) . .
O9 Pr4 Sb6 88.78(10) . .
O2 Pr4 Sb6 133.08(8) . .
O13 Pr4 Sb6 85.86(9) . .
Cl1 Pr4 Sb6 79.71(3) . .
O14 Pr4 Sb6 32.71(8) . .
Cl8 Pr4 Sb6 53.52(4) . .
Cl7 Pr4 Sb6 95.26(4) . .
Sb5 Pr4 Sb6 58.891(11) . .
O11 Sb1 O5 92.21(17) . .
O11 Sb1 O4 84.23(17) . .
O5 Sb1 O4 81.20(16) . .
O11 Sb1 Pr2 38.12(12) . .
O5 Sb1 Pr2 99.34(11) . .
O4 Sb1 Pr2 49.40(12) . .
O11 Sb1 Pr1 99.65(12) . .
O5 Sb1 Pr1 39.10(12) . .
O4 Sb1 Pr1 44.88(11) . .
Pr2 Sb1 Pr1 82.098(11) . .
O5 Sb2 O12 96.27(17) . .
O5 Sb2 O6 87.21(17) . .
O12 Sb2 O6 80.80(18) . .
O15 Sb3 O12 82.26(17) . .
O15 Sb3 O11 82.35(17) . .
O12 Sb3 O11 94.26(18) . .
O15 Sb3 O25 80.2(2) . 2_646
O12 Sb3 O25 87.6(2) . 2_646
O11 Sb3 O25 162.1(2) . 2_646
O15 Sb3 Pr3 43.55(13) . .
O12 Sb3 Pr3 40.20(12) . .
O11 Sb3 Pr3 96.59(12) . .
O25 Sb3 Pr3 73.44(16) 2_646 .
O17 Sb4 O15 87.70(18) . .
O17 Sb4 O18 97.02(18) . .
O15 Sb4 O18 80.60(17) . .
O17 Sb4 Pr2 39.13(12) . .
O15 Sb4 Pr2 51.39(13) . .
O18 Sb4 Pr2 101.83(12) . .
O18 Sb5 O16 93.19(17) . .
O18 Sb5 O13 84.14(18) . .
O16 Sb5 O13 82.63(18) . .
O18 Sb5 Pr3 40.32(13) . .
O16 Sb5 Pr3 98.71(12) . .
O13 Sb5 Pr3 46.23(13) . .
O18 Sb5 Pr4 101.54(12) . .
O16 Sb5 Pr4 37.38(13) . .
O13 Sb5 Pr4 48.46(13) . .
Pr3 Sb5 Pr4 82.188(11) . .
O16 Sb6 O14 86.34(17) . .
O16 Sb6 O17 92.85(17) . .
O14 Sb6 O17 78.69(17) . .
O16 Sb6 Pr4 37.06(12) . .
O14 Sb6 Pr4 53.27(13) . .
O17 Sb6 Pr4 100.09(12) . .
O9 Sb7 O14 87.52(18) . .
O9 Sb7 O10 93.63(17) . .
O14 Sb7 O10 79.65(16) . .
O9 Sb7 Pr4 38.08(12) . .
O14 Sb7 Pr4 52.75(13) . .
O10 Sb7 Pr4 99.91(12) . .
O9 Sb7 Pr2 98.11(13) . .
O14 Sb7 Pr2 42.17(12) . .
O10 Sb7 Pr2 38.56(12) . .
Pr4 Sb7 Pr2 80.391(11) . .
O3 Sb8 O9 94.54(18) . .
O3 Sb8 O2 83.89(17) . .
O9 Sb8 O2 81.01(17) . .
O3 Sb8 Pr1 39.32(12) . .
O9 Sb8 Pr1 98.96(12) . .
O2 Sb8 Pr1 47.08(12) . .
O3 Sb8 Pr4 101.05(12) . .
O9 Sb8 Pr4 37.99(12) . .
O2 Sb8 Pr4 45.76(12) . .
Pr1 Sb8 Pr4 81.068(11) . .
O10 Sb9 O4 84.67(16) . .
O10 Sb9 O3 94.99(17) . .
O4 Sb9 O3 80.66(17) . .
O10 Sb9 Pr2 39.69(12) . .
O4 Sb9 Pr2 48.42(12) . .
O3 Sb9 Pr2 101.13(12) . .
O10 Sb9 Pr1 100.15(12) . .
O4 Sb9 Pr1 43.89(12) . .
O3 Sb9 Pr1 38.85(12) . .
Pr2 Sb9 Pr1 81.139(11) . .
O1 Sb10 O6 88.17(18) . .
O1 Sb10 O7 92.35(18) . .
O6 Sb10 O7 80.63(17) . .
O1 Sb10 Pr3 96.80(13) . .
O6 Sb10 Pr3 41.54(12) . .
O7 Sb10 Pr3 39.93(13) . .
O1 Sb11 O8 94.05(18) . .
O1 Sb11 O2 83.22(17) . .
O8 Sb11 O2 82.61(17) . .
O1 Sb11 Pr1 39.66(12) . .
O8 Sb11 Pr1 102.38(13) . .
O2 Sb11 Pr1 47.43(12) . .
O1 Sb11 Pr4 97.80(13) . .
O8 Sb11 Pr4 38.08(12) . .
O2 Sb11 Pr4 46.18(12) . .
Pr1 Sb11 Pr4 81.468(12) . .
O7 Sb12 O8 96.30(17) . .
O7 Sb12 O13 82.22(18) . .
O8 Sb12 O13 83.92(19) . .
O7 Sb12 Pr4 101.46(12) . .
O8 Sb12 Pr4 38.41(13) . .
O13 Sb12 Pr4 48.17(14) . .
O7 Sb12 Pr3 39.26(13) . .
O8 Sb12 Pr3 100.63(12) . .
O13 Sb12 Pr3 45.01(12) . .
Pr4 Sb12 Pr3 81.307(11) . .
Pr4 Cl1 Pr2 108.73(4) . .
Pr4 Cl1 Pr1 108.69(5) . .
Pr2 Cl1 Pr1 107.60(4) . .
Pr4 Cl1 Pr3 109.52(4) . .
Pr2 Cl1 Pr3 110.55(5) . .
Pr1 Cl1 Pr3 111.68(4) . .
Sb11 O1 Sb10 131.4(2) . .
Sb11 O1 Pr1 109.71(17) . .
Sb10 O1 Pr1 116.97(19) . .
Sb8 O2 Sb11 131.6(2) . .
Sb8 O2 Pr1 100.51(15) . .
Sb11 O2 Pr1 99.89(15) . .
Sb8 O2 Pr4 102.68(15) . .
Sb11 O2 Pr4 101.97(15) . .
Pr1 O2 Pr4 123.01(16) . .
Sb8 O3 Sb9 132.6(2) . .
Sb8 O3 Pr1 109.96(17) . .
Sb9 O3 Pr1 110.65(18) . .
Sb9 O4 Sb1 131.49(19) . .
Sb9 O4 Pr1 104.74(17) . .
Sb1 O4 Pr1 102.78(15) . .
Sb9 O4 Pr2 99.34(15) . .
Sb1 O4 Pr2 97.46(16) . .
Pr1 O4 Pr2 123.75(14) . .
Sb2 O5 Sb1 129.0(2) . .
Sb2 O5 Pr1 118.45(18) . .
Sb1 O5 Pr1 110.19(17) . .
Sb10 O6 Sb2 136.4(2) . .
Sb10 O6 Pr3 107.98(16) . .
Sb2 O6 Pr3 108.32(19) . .
Sb12 O7 Sb10 132.8(2) . .
Sb12 O7 Pr3 111.35(18) . .
Sb10 O7 Pr3 109.74(17) . .
Sb11 O8 Sb12 129.9(2) . .
Sb11 O8 Pr4 112.23(18) . .
Sb12 O8 Pr4 111.6(2) . .
Sb7 O9 Sb8 131.5(2) . .
Sb7 O9 Pr4 112.40(19) . .
Sb8 O9 Pr4 112.26(17) . .
Sb9 O10 Sb7 133.2(2) . .
Sb9 O10 Pr2 109.94(17) . .
Sb7 O10 Pr2 111.57(17) . .
Sb1 O11 Sb3 131.6(2) . .
Sb1 O11 Pr2 111.91(18) . .
Sb3 O11 Pr2 114.29(17) . .
Sb2 O12 Sb3 130.8(2) . .
Sb2 O12 Pr3 110.01(18) . .
Sb3 O12 Pr3 109.42(17) . .
Sb5 O13 Sb12 132.4(2) . .
Sb5 O13 Pr3 101.82(19) . .
Sb12 O13 Pr3 103.59(16) . .
Sb5 O13 Pr4 99.33(16) . .
Sb12 O13 Pr4 99.59(18) . .
Pr3 O13 Pr4 122.93(15) . .
Sb7 O14 Sb6 133.5(2) . .
Sb7 O14 Pr2 107.13(16) . .
Sb6 O14 Pr2 108.13(19) . .
Sb7 O14 Pr4 95.06(17) . .
Sb6 O14 Pr4 94.02(14) . .
Pr2 O14 Pr4 118.41(15) . .
Sb4 O15 Sb3 130.4(2) . .
Sb4 O15 Pr3 106.14(17) . .
Sb3 O15 Pr3 105.52(17) . .
Sb4 O15 Pr2 96.39(16) . .
Sb3 O15 Pr2 97.76(16) . .
Pr3 O15 Pr2 122.40(17) . .
Sb6 O16 Sb5 131.8(2) . .
Sb6 O16 Pr4 113.37(18) . .
Sb5 O16 Pr4 112.78(18) . .
Sb4 O17 Sb6 130.5(2) . .
Sb4 O17 Pr2 111.17(17) . .
Sb6 O17 Pr2 111.93(18) . .
Sb5 O18 Sb4 132.8(2) . .
Sb5 O18 Pr3 109.29(19) . .
Sb4 O18 Pr3 111.33(17) . .
Pr2 O19 H19A 118.6 . .
Pr2 O19 H19B 118.4 . .
H19A O19 H19B 109.3 . .
Pr3 O20 H20A 121.2 . .
Pr3 O20 H20B 118.6 . .
H20A O20 H20B 118.7 . .
C1 O21 Pr1 155.2(5) . .
C8 O23 C6 117.8(5) . .
C15 O24 C4 118.5(5) . .
C14 O25 Sb3 131.1(6) . 2_656
C14 O26 Pr3 137.1(5) . 2_656
C21 O27 Pr4 142.2(5) . 4_676
O22 C1 O21 126.4(7) . .
O22 C1 C2 118.9(6) . .
O21 C1 C2 114.7(6) . .
C3 C2 C7 120.5(6) . .
C3 C2 C1 119.9(6) . .
C7 C2 C1 119.6(6) . .
C2 C3 C4 119.2(6) . .
C2 C3 H3 120.4 . .
C4 C3 H3 120.4 . .
C3 C4 C5 121.9(6) . .
C3 C4 O24 117.8(6) . .
C5 C4 O24 120.2(6) . .
C6 C5 C4 117.7(6) . .
C6 C5 H5 121.1 . .
C4 C5 H5 121.1 . .
C5 C6 C7 122.4(6) . .
C5 C6 O23 116.8(6) . .
C7 C6 O23 120.7(6) . .
C6 C7 C2 118.3(6) . .
C6 C7 H7 120.8 . .
C2 C7 H7 120.8 . .
C13 C8 C9 121.8(7) . .
C13 C8 O23 119.9(7) . .
C9 C8 O23 118.1(7) . .
C8 C9 C10 118.4(7) . .
C8 C9 H9 120.8 . .
C10 C9 H9 120.8 . .
C11 C10 C9 120.7(7) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C10 C11 C12 120.1(7) . .
C10 C11 C14 119.4(7) . .
C12 C11 C14 120.3(7) . .
C11 C12 C13 119.3(8) . .
C11 C12 H12 120.4 . .
C13 C12 H12 120.4 . .
C8 C13 C12 119.8(7) . .
C8 C13 H13 120.1 . .
C12 C13 H13 120.1 . .
O26 C14 O25 125.7(7) . .
O26 C14 C11 119.5(7) . .
O25 C14 C11 114.8(7) . .
C20 C15 O24 115.3(6) . .
C20 C15 C16 121.3(6) . .
O24 C15 C16 123.3(6) . .
C17 C16 C15 119.0(6) . .
C17 C16 H16 120.5 . .
C15 C16 H16 120.5 . .
C16 C17 C18 120.7(6) . .
C16 C17 H17 119.6 . .
C18 C17 H17 119.6 . .
C19 C18 C17 119.1(6) . .
C19 C18 C21 121.5(6) . .
C17 C18 C21 119.3(6) . .
C20 C19 C18 120.9(6) . .
C20 C19 H19 119.6 . .
C18 C19 H19 119.6 . .
C15 C20 C19 118.9(7) . .
C15 C20 H20 120.6 . .
C19 C20 H20 120.6 . .
O27 C21 O28A 117.6(18) . .
O27 C21 O28 126.0(10) . .
O27 C21 C18 118.7(7) . .
O28A C21 C18 117.8(16) . .
O28 C21 C18 114.2(11) . .
N6 Fe1 N2 173.3(2) . .
N6 Fe1 N5 82.9(2) . .
N2 Fe1 N5 92.7(2) . .
N6 Fe1 N3 92.7(2) . .
N2 Fe1 N3 92.1(2) . .
N5 Fe1 N3 173.6(2) . .
N6 Fe1 N1 92.5(2) . .
N2 Fe1 N1 82.5(2) . .
N5 Fe1 N1 91.9(2) . .
N3 Fe1 N1 93.0(2) . .
N6 Fe1 N4 89.1(2) . .
N2 Fe1 N4 96.2(2) . .
N5 Fe1 N4 92.5(2) . .
N3 Fe1 N4 82.7(2) . .
N1 Fe1 N4 175.5(2) . .
C22 N1 C33 116.4(6) . .
C22 N1 Fe1 130.8(5) . .
C33 N1 Fe1 112.8(4) . .
C31 N2 C32 116.7(6) . .
C31 N2 Fe1 129.8(5) . .
C32 N2 Fe1 113.5(4) . .
C34 N3 C45 117.8(6) . .
C34 N3 Fe1 130.1(5) . .
C45 N3 Fe1 112.1(4) . .
C43 N4 C44 116.8(6) . .
C43 N4 Fe1 130.7(5) . .
C44 N4 Fe1 112.2(4) . .
C46 N5 C57 116.7(5) . .
C46 N5 Fe1 130.6(5) . .
C57 N5 Fe1 112.7(4) . .
C55 N6 C56 117.5(5) . .
C55 N6 Fe1 130.2(5) . .
C56 N6 Fe1 112.3(4) . .
N1 C22 C23 122.8(7) . .
N1 C22 H22A 118.6 . .
C23 C22 H22A 118.6 . .
C24 C23 C22 121.0(6) . .
C24 C23 H23A 119.5 . .
C22 C23 H23A 119.5 . .
C23 C24 C25 118.6(7) . .
C23 C24 H24A 120.7 . .
C25 C24 H24A 120.7 . .
C24 C25 C33 116.5(7) . .
C24 C25 C26 124.6(7) . .
C33 C25 C26 118.9(6) . .
C27 C26 C25 121.7(7) . .
C27 C26 H26A 119.2 . .
C25 C26 H26A 119.2 . .
C26 C27 C28 120.4(7) . .
C26 C27 H27A 119.8 . .
C28 C27 H27A 119.8 . .
C32 C28 C29 117.3(6) . .
C32 C28 C27 119.4(6) . .
C29 C28 C27 123.3(7) . .
C30 C29 C28 118.5(6) . .
C30 C29 H29A 120.7 . .
C28 C29 H29A 120.7 . .
C29 C30 C31 119.7(6) . .
C29 C30 H30A 120.1 . .
C31 C30 H30A 120.1 . .
N2 C31 C30 123.1(7) . .
N2 C31 H31A 118.5 . .
C30 C31 H31A 118.5 . .
N2 C32 C28 124.6(6) . .
N2 C32 C33 115.2(6) . .
C28 C32 C33 120.2(6) . .
N1 C33 C25 124.7(6) . .
N1 C33 C32 116.0(6) . .
C25 C33 C32 119.3(6) . .
N3 C34 C35 122.5(7) . .
N3 C34 H34A 118.8 . .
C35 C34 H34A 118.8 . .
C36 C35 C34 120.8(7) . .
C36 C35 H35A 119.6 . .
C34 C35 H35A 119.6 . .
C35 C36 C37 119.3(7) . .
C35 C36 H36A 120.4 . .
C37 C36 H36A 120.4 . .
C45 C37 C36 116.5(7) . .
C45 C37 C38 118.1(7) . .
C36 C37 C38 125.4(7) . .
C39 C38 C37 121.4(7) . .
C39 C38 H38A 119.3 . .
C37 C38 H38A 119.3 . .
C38 C39 C40 122.0(7) . .
C38 C39 H39A 119.0 . .
C40 C39 H39A 119.0 . .
C41 C40 C44 116.7(7) . .
C41 C40 C39 125.9(7) . .
C44 C40 C39 117.5(7) . .
C42 C41 C40 119.7(7) . .
C42 C41 H41A 120.1 . .
C40 C41 H41A 120.1 . .
C41 C42 C43 120.7(8) . .
C41 C42 H42A 119.7 . .
C43 C42 H42A 119.7 . .
N4 C43 C42 122.6(7) . .
N4 C43 H43A 118.7 . .
C42 C43 H43A 118.7 . .
N4 C44 C40 123.4(6) . .
N4 C44 C45 115.8(6) . .
C40 C44 C45 120.8(6) . .
N3 C45 C44 116.7(6) . .
N3 C45 C37 123.1(6) . .
C44 C45 C37 120.2(6) . .
N5 C46 C47 123.4(6) . .
N5 C46 H46A 118.3 . .
C47 C46 H46A 118.3 . .
C48 C47 C46 119.7(6) . .
C48 C47 H47A 120.1 . .
C46 C47 H47A 120.1 . .
C47 C48 C49 119.5(6) . .
C47 C48 H48A 120.3 . .
C49 C48 H48A 120.3 . .
C48 C49 C57 117.3(6) . .
C48 C49 C50 125.4(6) . .
C57 C49 C50 117.4(6) . .
C51 C50 C49 121.6(7) . .
C51 C50 H50A 119.2 . .
C49 C50 H50A 119.2 . .
C50 C51 C52 122.0(7) . .
C50 C51 H51A 119.0 . .
C52 C51 H51A 119.0 . .
C53 C52 C56 117.0(6) . .
C53 C52 C51 124.9(7) . .
C56 C52 C51 118.1(6) . .
C54 C53 C52 119.0(6) . .
C54 C53 H53A 120.5 . .
C52 C53 H53A 120.5 . .
C53 C54 C55 120.6(6) . .
C53 C54 H54A 119.7 . .
C55 C54 H54A 119.7 . .
N6 C55 C54 122.4(6) . .
N6 C55 H55A 118.8 . .
C54 C55 H55A 118.8 . .
N6 C56 C52 123.5(6) . .
N6 C56 C57 116.1(5) . .
C52 C56 C57 120.4(6) . .
N5 C57 C49 123.5(6) . .
N5 C57 C56 115.9(5) . .
C49 C57 C56 120.6(6) . .
C62 N7 C63 117.6(7) . .
C59 C58 H58A 109.5 . .
C59 C58 H58B 109.5 . .
H58A C58 H58B 109.5 . .
C59 C58 H58C 109.5 . .
H58A C58 H58C 109.5 . .
H58B C58 H58C 109.5 . .
C60 C59 C63 117.0(9) . .
C60 C59 C58 123.6(9) . .
C63 C59 C58 119.4(9) . .
C59 C60 C61 120.3(9) . .
C59 C60 H60 119.9 . .
C61 C60 H60 119.9 . .
C60 C61 C62 117.7(9) . .
C60 C61 H61 121.1 . .
C62 C61 H61 121.1 . .
N7 C62 C61 123.3(9) . .
N7 C62 H62 118.3 . .
C61 C62 H62 118.3 . .
N7 C63 C59 124.1(9) . .
N7 C63 H63 117.9 . .
C59 C63 H63 117.9 . .
C68 N8 C69 114.3(15) . .
C68 N8 H8A 122.8 . .
C69 N8 H8A 122.8 . .
C65 C64 H64A 109.5 . .
C65 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C65 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
C69 C65 C66 125.3(15) . .
C69 C65 C64 119.5(13) . .
C66 C65 C64 115.1(13) . .
C67 C66 C65 114.9(19) . .
C67 C66 H66 122.6 . .
C65 C66 H66 122.6 . .
C66 C67 C68 131(2) . .
C66 C67 H67 114.5 . .
C68 C67 H67 114.5 . .
C67 C68 N8 117.4(19) . .
C67 C68 H68 121.3 . .
N8 C68 H68 121.3 . .
C65 C69 N8 117.1(16) . .
C65 C69 H69 121.5 . .
N8 C69 H69 121.5 . .
C74 N9 C75 127(2) . .
C74 N9 H9A 116.3 . .
C75 N9 H9A 116.3 . .
C71 C70 H70A 109.5 . .
C71 C70 H70B 109.5 . .
H70A C70 H70B 109.5 . .
C71 C70 H70C 109.5 . .
H70A C70 H70C 109.5 . .
H70B C70 H70C 109.5 . .
C72 C71 C75 117.5(18) . .
C72 C71 C70 125(2) . .
C75 C71 C70 117.2(18) . .
C71 C72 C73 125(3) . .
C71 C72 H72A 117.3 . .
C73 C72 H72A 117.3 . .
C74 C73 C72 118(3) . .
C74 C73 H73A 121.0 . .
C72 C73 H73A 121.0 . .
C73 C74 N9 113(3) . .
C73 C74 H74A 123.4 . .
N9 C74 H74A 123.4 . .
C71 C75 N9 117.9(19) . .
C71 C75 H75A 121.0 . .
N9 C75 H75A 121.0 . .
C75B N9B C74B 131(2) . .
C75B N9B H9B 114.5 . .
C74B N9B H9B 114.5 . .
C71B C70B H70D 109.5 . .
C71B C70B H70E 109.5 . .
H70D C70B H70E 109.5 . .
C71B C70B H70F 109.5 . .
H70D C70B H70F 109.5 . .
H70E C70B H70F 109.5 . .
C72B C71B C75B 124(2) . .
C72B C71B C70B 127(3) . .
C75B C71B C70B 109.0(19) . .
C71B C72B C73B 121(3) . .
C71B C72B H72B 119.7 . .
C73B C72B H72B 119.7 . .
C72B C73B C74B 122(3) . .
C72B C73B H73B 118.9 . .
C74B C73B H73B 118.9 . .
N9B C74B C73B 110(2) . .
N9B C74B H74B 125.2 . .
C73B C74B H74B 125.2 . .
N9B C75B C71B 111(2) . .
N9B C75B H75B 124.7 . .
C71B C75B H75B 124.7 . .
C80 N10 C81 135(2) . .
C77 C76 H76A 109.5 . .
C77 C76 H76B 109.5 . .
H76A C76 H76B 109.5 . .
C77 C76 H76C 109.5 . .
H76A C76 H76C 109.5 . .
H76B C76 H76C 109.5 . .
C81 C77 C78 128.2(18) . .
C81 C77 C76 116.3(11) . .
C78 C77 C76 115.5(11) . .
C80 C79 C78 128.8(19) . .
C80 C79 H79 115.6 . .
C78 C79 H79 115.6 . .
C79 C78 C77 109.3(19) . .
C79 C78 H78 125.3 . .
C77 C78 H78 125.3 . .
N10 C80 C79 109.3(19) . .
N10 C80 H80 125.4 . .
C79 C80 H80 125.4 . .
N10 C81 C77 109.4(19) . .
N10 C81 H81 125.3 . .
C77 C81 H81 125.3 . .
C80A N10A C81A 127(2) . .
C77A C76A H76D 109.5 . .
C77A C76A H76E 109.5 . .
H76D C76A H76E 109.5 . .
C77A C76A H76F 109.5 . .
H76D C76A H76F 109.5 . .
H76E C76A H76F 109.5 . .
C81A C77A C78A 121.9(19) . .
C81A C77A C76A 119.4(11) . .
C78A C77A C76A 118.6(11) . .
C79A C78A C77A 117.1(19) . .
C79A C78A H78A 121.5 . .
C77A C78A H78A 121.5 . .
C78A C79A C80A 121(2) . .
C78A C79A H79A 119.3 . .
C80A C79A H79A 119.3 . .
N10A C80A C79A 116(2) . .
N10A C80A H80A 121.8 . .
C79A C80A H80A 121.8 . .
N10A C81A C77A 116(2) . .
N10A C81A H81A 122.1 . .
C77A C81A H81A 122.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O21 2.339(4) .
Pr1 O5 2.451(4) .
Pr1 O3 2.469(4) .
Pr1 O1 2.474(4) .
Pr1 O4 2.640(4) .
Pr1 O2 2.727(4) .
Pr1 Cl3 2.916(2) .
Pr1 Cl1 2.9660(15) .
Pr1 Cl2 2.9891(18) .
Pr1 Sb11 3.6483(5) .
Pr1 Sb1 3.6486(5) .
Pr1 Sb8 3.6622(6) .
Pr2 O11 2.415(4) .
Pr2 O19 2.486(4) .
Pr2 O10 2.491(4) .
Pr2 O17 2.497(4) .
Pr2 O14 2.611(4) .
Pr2 O4 2.779(4) .
Pr2 O15 2.902(5) .
Pr2 Cl1 2.9574(15) .
Pr2 Cl4 2.9656(15) .
Pr2 Cl5 3.001(2) .
Pr2 Sb1 3.6299(5) .
Pr2 Sb9 3.6667(5) .
Pr3 O26 2.441(5) 2_646
Pr3 O18 2.521(4) .
Pr3 O7 2.534(5) .
Pr3 O20 2.544(5) .
Pr3 O12 2.552(4) .
Pr3 O6 2.591(4) .
Pr3 O15 2.667(4) .
Pr3 O13 2.713(4) .
Pr3 Cl1 2.9814(15) .
Pr3 Cl6 2.986(3) .
Pr3 Sb5 3.6777(5) .
Pr3 Sb10 3.7157(6) .
Pr4 O27 2.346(5) 4_575
Pr4 O16 2.424(4) .
Pr4 O8 2.469(4) .
Pr4 O9 2.476(4) .
Pr4 O2 2.734(4) .
Pr4 O13 2.792(5) .
Pr4 Cl1 2.9406(14) .
Pr4 O14 2.966(4) .
Pr4 Cl8 2.9684(18) .
Pr4 Cl7 2.9856(17) .
Pr4 Sb5 3.6812(6) .
Pr4 Sb6 3.6913(6) .
Sb1 O11 1.954(4) .
Sb1 O5 1.986(4) .
Sb1 O4 2.001(4) .
Sb2 O5 1.979(4) .
Sb2 O12 1.987(4) .
Sb2 O6 1.993(4) .
Sb3 O15 1.989(4) .
Sb3 O12 2.000(4) .
Sb3 O11 2.022(4) .
Sb3 O25 2.426(6) 2_646
Sb4 O17 1.961(4) .
Sb4 O15 1.980(4) .
Sb4 O18 1.990(4) .
Sb5 O18 1.972(4) .
Sb5 O16 1.987(4) .
Sb5 O13 1.988(4) .
Sb6 O16 1.984(4) .
Sb6 O14 2.000(4) .
Sb6 O17 2.016(4) .
Sb7 O9 1.978(4) .
Sb7 O14 1.985(4) .
Sb7 O10 1.990(4) .
Sb8 O3 1.991(4) .
Sb8 O9 1.996(4) .
Sb8 O2 1.997(4) .
Sb9 O10 1.972(4) .
Sb9 O4 1.983(4) .
Sb9 O3 1.997(4) .
Sb10 O1 1.977(4) .
Sb10 O6 1.981(4) .
Sb10 O7 1.993(4) .
Sb11 O1 1.974(4) .
Sb11 O8 1.983(5) .
Sb11 O2 1.999(4) .
Sb12 O7 1.965(4) .
Sb12 O8 1.986(4) .
Sb12 O13 1.999(4) .
O19 H19A 0.8495 .
O19 H19B 0.8500 .
O20 H20A 0.8201 .
O20 H20B 0.8199 .
O21 C1 1.274(8) .
O22 C1 1.240(9) .
O23 C8 1.380(8) .
O23 C6 1.392(8) .
O24 C15 1.384(7) .
O24 C4 1.398(7) .
O25 C14 1.260(9) .
O25 Sb3 2.426(6) 2_656
O26 C14 1.201(9) .
O26 Pr3 2.441(5) 2_656
O27 C21 1.211(10) .
O27 Pr4 2.346(5) 4_676
O28 C21 1.277(11) .
O28A C21 1.271(13) .
C1 C2 1.501(9) .
C2 C3 1.374(8) .
C2 C7 1.386(9) .
C3 C4 1.376(9) .
C3 H3 0.9300 .
C4 C5 1.378(9) .
C5 C6 1.366(9) .
C5 H5 0.9300 .
C6 C7 1.382(9) .
C7 H7 0.9300 .
C8 C13 1.365(10) .
C8 C9 1.370(10) .
C9 C10 1.390(10) .
C9 H9 0.9300 .
C10 C11 1.377(10) .
C10 H10 0.9300 .
C11 C12 1.378(10) .
C11 C14 1.507(10) .
C12 C13 1.391(10) .
C12 H12 0.9300 .
C13 H13 0.9300 .
C15 C20 1.371(8) .
C15 C16 1.390(9) .
C16 C17 1.360(9) .
C16 H16 0.9300 .
C17 C18 1.388(9) .
C17 H17 0.9300 .
C18 C19 1.382(9) .
C18 C21 1.505(10) .
C19 C20 1.372(9) .
C19 H19 0.9300 .
C20 H20 0.9300 .
Fe1 N6 1.971(5) .
Fe1 N2 1.971(5) .
Fe1 N5 1.972(5) .
Fe1 N3 1.976(5) .
Fe1 N1 1.977(5) .
Fe1 N4 1.980(5) .
N1 C22 1.327(8) .
N1 C33 1.360(8) .
N2 C31 1.317(8) .
N2 C32 1.358(8) .
N3 C34 1.324(8) .
N3 C45 1.360(8) .
N4 C43 1.334(8) .
N4 C44 1.363(8) .
N5 C46 1.332(8) .
N5 C57 1.357(8) .
N6 C55 1.330(8) .
N6 C56 1.363(8) .
C22 C23 1.374(10) .
C22 H22A 0.9300 .
C23 C24 1.371(11) .
C23 H23A 0.9300 .
C24 C25 1.394(9) .
C24 H24A 0.9300 .
C25 C33 1.403(9) .
C25 C26 1.419(10) .
C26 C27 1.343(10) .
C26 H26A 0.9300 .
C27 C28 1.435(10) .
C27 H27A 0.9300 .
C28 C32 1.380(9) .
C28 C29 1.394(9) .
C29 C30 1.377(10) .
C29 H29A 0.9300 .
C30 C31 1.388(10) .
C30 H30A 0.9300 .
C31 H31A 0.9300 .
C32 C33 1.431(8) .
C34 C35 1.388(10) .
C34 H34A 0.9300 .
C35 C36 1.347(11) .
C35 H35A 0.9300 .
C36 C37 1.413(10) .
C36 H36A 0.9300 .
C37 C45 1.411(9) .
C37 C38 1.428(10) .
C38 C39 1.332(11) .
C38 H38A 0.9300 .
C39 C40 1.437(10) .
C39 H39A 0.9300 .
C40 C41 1.387(10) .
C40 C44 1.406(9) .
C41 C42 1.353(11) .
C41 H41A 0.9300 .
C42 C43 1.371(11) .
C42 H42A 0.9300 .
C43 H43A 0.9300 .
C44 C45 1.409(9) .
C46 C47 1.389(9) .
C46 H46A 0.9300 .
C47 C48 1.358(10) .
C47 H47A 0.9300 .
C48 C49 1.392(9) .
C48 H48A 0.9300 .
C49 C57 1.407(8) .
C49 C50 1.434(10) .
C50 C51 1.335(10) .
C50 H50A 0.9300 .
C51 C52 1.419(10) .
C51 H51A 0.9300 .
C52 C53 1.396(9) .
C52 C56 1.399(9) .
C53 C54 1.372(10) .
C53 H53A 0.9300 .
C54 C55 1.376(9) .
C54 H54A 0.9300 .
C55 H55A 0.9300 .
C56 C57 1.416(8) .
N7 C62 1.303(11) .
N7 C63 1.319(10) .
C58 C59 1.510(13) .
C58 H58A 0.9600 .
C58 H58B 0.9600 .
C58 H58C 0.9600 .
C59 C60 1.363(13) .
C59 C63 1.383(11) .
C60 C61 1.364(13) .
C60 H60 0.9300 .
C61 C62 1.390(12) .
C61 H61 0.9300 .
C62 H62 0.9300 .
C63 H63 0.9300 .
N8 C68 1.45(2) .
N8 C69 1.475(17) .
N8 H8A 0.8600 .
C64 C65 1.532(9) .
C64 H64A 0.9600 .
C64 H64B 0.9600 .
C64 H64C 0.9600 .
C65 C69 1.296(18) .
C65 C66 1.368(19) .
C66 C67 1.250(19) .
C66 H66 0.9300 .
C67 C68 1.26(2) .
C67 H67 0.9300 .
C68 H68 0.9300 .
C69 H69 0.9300 .
N9 C74 1.352(12) .
N9 C75 1.353(13) .
N9 H9A 0.8600 .
C70 C71 1.534(10) .
C70 H70A 0.9600 .
C70 H70B 0.9600 .
C70 H70C 0.9600 .
C71 C72 1.22(3) .
C71 C75 1.33(3) .
C72 C73 1.47(3) .
C72 H72A 0.9300 .
C73 C74 1.30(4) .
C73 H73A 0.9300 .
C74 H74A 0.9300 .
C75 H75A 0.9300 .
N9B C75B 1.339(13) .
N9B C74B 1.342(12) .
N9B H9B 0.8600 .
C70B C71B 1.544(10) .
C70B H70D 0.9600 .
C70B H70E 0.9600 .
C70B H70F 0.9600 .
C71B C72B 1.19(3) .
C71B C75B 1.46(4) .
C72B C73B 1.39(4) .
C72B H72B 0.9300 .
C73B C74B 1.43(3) .
C73B H73B 0.9300 .
C74B H74B 0.9300 .
C75B H75B 0.9300 .
N10 C80 1.331(9) .
N10 C81 1.339(9) .
C76 C77 1.550(9) .
C76 H76A 0.9600 .
C76 H76B 0.9600 .
C76 H76C 0.9600 .
C77 C81 1.408(10) .
C77 C78 1.418(10) .
C79 C80 1.404(10) .
C79 C78 1.413(10) .
C79 H79 0.9300 .
C78 H78 0.9300 .
C80 H80 0.9300 .
C81 H81 0.9300 .
N10A C80A 1.324(10) .
N10A C81A 1.350(10) .
C76A C77A 1.526(10) .
C76A H76D 0.9600 .
C76A H76E 0.9600 .
C76A H76F 0.9600 .
C77A C81A 1.390(10) .
C77A C78A 1.405(10) .
C78A C79A 1.392(10) .
C78A H78A 0.9300 .
C79A C80A 1.406(10) .
C79A H79A 0.9300 .
C80A H80A 0.9300 .
C81A H81A 0.9300 .
O3W O4W 1.76(4) .
