#------------------------------------------------------------------------------
#$Date: 2020-10-06 10:58:35 +0300 (Tue, 06 Oct 2020) $
#$Revision: 257468 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/23/69/7236911.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_7236911
loop_
_publ_author_name
'Gao, Wei'
'Huang, Hong'
'Zhou, Ai-Mei'
'Wei, Han'
'Liu, Jie-Ping'
'Zhang, Xiu-Mei'
_publ_section_title
;
 Three 3D LnIII-MOFs based on a nitro-functionalized
 biphenyltricarboxylate ligand: syntheses, structures, and magnetic
 properties
;
_journal_issue                   2
_journal_name_full               CrystEngComm
_journal_page_first              267
_journal_page_last               274
_journal_paper_doi               10.1039/C9CE01245A
_journal_volume                  22
_journal_year                    2020
_chemical_formula_sum            'C60 H60 N4 O50 Pr4'
_chemical_formula_weight         2200.76
_space_group_crystal_system      trigonal
_space_group_IT_number           147
_space_group_name_Hall           '-P 3'
_space_group_name_H-M_alt        'P -3'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2016/6
_audit_update_record
;
2019-10-18 deposited with the CCDC.	2019-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   23.2883(16)
_cell_length_b                   23.2883(16)
_cell_length_c                   14.1304(11)
_cell_measurement_reflns_used    9974
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.79
_cell_measurement_theta_min      2.27
_cell_volume                     6636.8(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0642
_diffrn_reflns_av_unetI/netI     0.0432
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            47456
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        24.997
_diffrn_reflns_theta_max         24.997
_diffrn_reflns_theta_min         1.441
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    2.262
_exptl_absorpt_correction_T_max  0.7455
_exptl_absorpt_correction_T_min  0.5473
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.652
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3252
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.100
_exptl_crystal_size_min          0.080
_refine_diff_density_max         0.985
_refine_diff_density_min         -0.709
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     487
_refine_ls_number_reflns         7812
_refine_ls_number_restraints     462
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0369
_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)+(0.0424P)²+11.2010P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0888
_refine_ls_wR_factor_ref         0.0923
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6265
_reflns_number_total             7812
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c9ce01245a2.cif
_cod_data_source_block           s
_cod_depositor_comments
;Adding full bibliography for 7236911--7236913.cif.

 Adding full bibliography for 7236911--7236913.cif.
;
_cod_original_cell_volume        6636.8(10)
_cod_database_code               7236911
_shelx_shelxl_version_number     2016/6
_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.
;
_shelx_estimated_absorpt_t_min   0.805
_shelx_estimated_absorpt_t_max   0.840
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -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
Pr1 Pr -0.09671(2) 0.37660(2) 0.47668(2) 0.02885(9) Uani 1 1 d . U
Pr2 Pr -0.15339(2) 0.21548(2) 0.31610(2) 0.03100(9) Uani 1 1 d . U
O1 O -0.0206(2) 0.45285(18) 0.3644(3) 0.0513(11) Uani 1 1 d . U
O2 O 0.0431(2) 0.55858(19) 0.3878(3) 0.0583(12) Uani 1 1 d . U
O3 O 0.1350(2) 0.6961(2) -0.2005(3) 0.0485(10) Uani 1 1 d . U
O4 O 0.15975(17) 0.66192(18) -0.3313(2) 0.0378(9) Uani 1 1 d . U
O5 O 0.1935(2) 0.4648(2) -0.3183(3) 0.0516(11) Uani 1 1 d . U
O6 O 0.1635(2) 0.4048(2) -0.1888(3) 0.0580(12) Uani 1 1 d . U
O7 O 0.0126(3) 0.3545(2) 0.0645(3) 0.0724(15) Uani 1 1 d . U
O8 O -0.0022(2) 0.4096(2) -0.0445(3) 0.0614(12) Uani 1 1 d . U
O9 O 0.01206(18) 0.3766(2) 0.4858(2) 0.0457(10) Uani 1 1 d . U
O10 O -0.04939(16) 0.31522(17) 0.3676(2) 0.0351(8) Uani 1 1 d . U
O11 O 0.24322(17) 0.41560(19) 0.5217(2) 0.0381(9) Uani 1 1 d . U
O12 O 0.29337(19) 0.4097(2) 0.3946(3) 0.0579(12) Uani 1 1 d . U
O13 O 0.1056(3) 0.1834(2) -0.1647(4) 0.095(2) Uani 1 1 d . U
O14 O 0.1860(2) 0.2856(2) -0.2018(3) 0.0524(11) Uani 1 1 d . U
O15 O 0.1902(3) 0.4536(2) 0.1254(4) 0.0783(15) Uani 1 1 d . U
O16 O 0.2704(3) 0.4480(3) 0.0659(5) 0.116(2) Uani 1 1 d . U
O17 O -0.2227(3) 0.0953(2) 0.3468(4) 0.0812(15) Uani 1 1 d . U
H17A H -0.215712 0.065192 0.312602 0.097 Uiso 1 1 calc R U
H17B H -0.255801 0.080094 0.392626 0.097 Uiso 1 1 calc R U
O18 O -0.0913(3) 0.1767(2) 0.4198(3) 0.0774(15) Uani 1 1 d . U
H18A H -0.064874 0.161622 0.392480 0.093 Uiso 1 1 calc R U
H18C H -0.094741 0.177450 0.485256 0.093 Uiso 1 1 calc R U
O19 O -0.1132(2) 0.4780(2) 0.4740(3) 0.0663(13) Uani 1 1 d . U
H19A H -0.095483 0.509441 0.522044 0.080 Uiso 1 1 calc R U
H19B H -0.136903 0.483185 0.425005 0.080 Uiso 1 1 calc R U
O20 O -0.2060(2) 0.3473(2) 0.5484(4) 0.0822(17) Uani 1 1 d . U
H20A H -0.207717 0.363988 0.607481 0.099 Uiso 1 1 calc R U
H20C H -0.245093 0.319673 0.516018 0.099 Uiso 1 1 calc R U
N1 N 0.0188(2) 0.4054(2) 0.0325(3) 0.0425(11) Uani 1 1 d . U
N2 N 0.2134(3) 0.4240(3) 0.0872(4) 0.0624(15) Uani 1 1 d . U
C1 C 0.0242(3) 0.5076(2) 0.3391(3) 0.0332(12) Uani 1 1 d . U
C2 C 0.0530(2) 0.5141(2) 0.2423(3) 0.0319(11) Uani 1 1 d . U
C3 C 0.1018(3) 0.5742(3) 0.2078(4) 0.0390(13) Uani 1 1 d . U
H3A H 0.119845 0.611262 0.246959 0.047 Uiso 1 1 calc R U
C4 C 0.1245(3) 0.5804(3) 0.1153(3) 0.0399(13) Uani 1 1 d . U
H4A H 0.157376 0.621505 0.093517 0.048 Uiso 1 1 calc R U
C5 C 0.0991(3) 0.5263(3) 0.0550(3) 0.0321(11) Uani 1 1 d . U
C6 C 0.0514(2) 0.4654(2) 0.0936(3) 0.0290(11) Uani 1 1 d . U
C7 C 0.0293(2) 0.4584(2) 0.1845(3) 0.0304(11) Uani 1 1 d . U
H7A H -0.001291 0.416749 0.207736 0.036 Uiso 1 1 calc R U
C8 C 0.1214(3) 0.5361(3) -0.0468(3) 0.0325(11) Uani 1 1 d . U
C9 C 0.1265(3) 0.5904(3) -0.0960(3) 0.0329(12) Uani 1 1 d . U
H9A H 0.117506 0.620345 -0.065194 0.040 Uiso 1 1 calc R U
C10 C 0.1450(2) 0.6001(3) -0.1912(3) 0.0322(11) Uani 1 1 d . U
C11 C 0.1596(3) 0.5562(3) -0.2358(3) 0.0368(12) Uani 1 1 d . U
H11A H 0.171702 0.562204 -0.299315 0.044 Uiso 1 1 calc R U
C12 C 0.1565(3) 0.5029(3) -0.1866(4) 0.0371(12) Uani 1 1 d . U
C13 C 0.1372(3) 0.4929(3) -0.0923(4) 0.0401(13) Uani 1 1 d . U
H13A H 0.134954 0.457207 -0.059457 0.048 Uiso 1 1 calc R U
C14 C 0.1715(3) 0.4543(3) -0.2332(4) 0.0433(14) Uani 1 1 d . U
C15 C 0.1466(2) 0.6563(3) -0.2429(4) 0.0354(12) Uani 1 1 d . U
C16 C 0.0060(2) 0.3451(3) 0.4092(4) 0.0351(12) Uani 1 1 d . U
C17 C 0.0655(2) 0.3470(2) 0.3665(3) 0.0306(11) Uani 1 1 d . U
C18 C 0.0638(3) 0.3262(3) 0.2737(3) 0.0372(12) Uani 1 1 d . U
H18B H 0.024448 0.308065 0.239592 0.045 Uiso 1 1 calc R U
C19 C 0.1213(3) 0.3324(3) 0.2313(3) 0.0375(13) Uani 1 1 d . U
C20 C 0.1778(3) 0.3559(3) 0.2856(4) 0.0426(14) Uani 1 1 d . U
H20B H 0.215479 0.358326 0.258933 0.051 Uiso 1 1 calc R U
C21 C 0.1805(2) 0.3763(3) 0.3797(3) 0.0343(12) Uani 1 1 d . U
C22 C 0.1237(2) 0.3725(3) 0.4192(4) 0.0330(11) Uani 1 1 d . U
H22A H 0.124781 0.386990 0.480822 0.040 Uiso 1 1 calc R U
C23 C 0.2425(3) 0.4014(3) 0.4334(4) 0.0379(13) Uani 1 1 d . U
C24 C 0.1226(3) 0.3120(3) 0.1314(4) 0.0417(13) Uani 1 1 d . U
C25 C 0.0793(3) 0.2478(3) 0.1019(4) 0.0613(18) Uani 1 1 d . U
H25A H 0.046024 0.218909 0.142773 0.074 Uiso 1 1 calc R U
C26 C 0.0844(3) 0.2256(3) 0.0129(4) 0.064(2) Uani 1 1 d . U
H26A H 0.053829 0.182641 -0.005738 0.077 Uiso 1 1 calc R U
C27 C 0.1351(3) 0.2674(3) -0.0492(4) 0.0494(15) Uani 1 1 d . U
C28 C 0.1793(3) 0.3324(3) -0.0214(4) 0.0442(14) Uani 1 1 d . U
H28A H 0.213257 0.361137 -0.061390 0.053 Uiso 1 1 calc R U
C29 C 0.1715(3) 0.3531(3) 0.0672(4) 0.0436(14) Uani 1 1 d . U
C30 C 0.1425(4) 0.2433(3) -0.1448(4) 0.0553(16) Uani 1 1 d . U
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'
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
O2 Pr1 O1 96.02(14) 4_566 .
O2 Pr1 O4 161.78(15) 4_566 4_565
O1 Pr1 O4 78.34(13) . 4_565
O2 Pr1 O20 89.23(16) 4_566 .
O1 Pr1 O20 138.71(17) . .
O4 Pr1 O20 84.07(16) 4_565 .
O2 Pr1 O12 75.09(14) 4_566 6_556
O1 Pr1 O12 146.47(15) . 6_556
O4 Pr1 O12 118.88(12) 4_565 6_556
O20 Pr1 O12 74.32(17) . 6_556
O2 Pr1 O9 75.58(14) 4_566 .
O1 Pr1 O9 70.31(14) . .
O4 Pr1 O9 117.63(12) 4_565 .
O20 Pr1 O9 149.42(16) . .
O12 Pr1 O9 76.16(14) 6_556 .
O2 Pr1 O19 72.56(16) 4_566 .
O1 Pr1 O19 72.72(14) . .
O4 Pr1 O19 89.22(14) 4_565 .
O20 Pr1 O19 69.96(15) . .
O12 Pr1 O19 131.37(15) 6_556 .
O9 Pr1 O19 127.42(14) . .
O2 Pr1 O10 125.25(14) 4_566 .
O1 Pr1 O10 70.35(12) . .
O4 Pr1 O10 69.51(11) 4_565 .
O20 Pr1 O10 136.15(13) . .
O12 Pr1 O10 88.27(13) 6_556 .
O9 Pr1 O10 49.72(11) . .
O19 Pr1 O10 140.26(13) . .
O2 Pr1 O11 124.00(12) 4_566 6_556
O1 Pr1 O11 132.74(12) . 6_556
O4 Pr1 O11 69.81(11) 4_565 6_556
O20 Pr1 O11 72.07(13) . 6_556
O12 Pr1 O11 49.28(12) 6_556 6_556
O9 Pr1 O11 94.41(12) . 6_556
O19 Pr1 O11 138.13(13) . 6_556
O10 Pr1 O11 66.28(11) . 6_556
O2 Pr1 C16 100.56(15) 4_566 .
O1 Pr1 C16 65.26(14) . .
O4 Pr1 C16 92.84(13) 4_565 .
O20 Pr1 C16 153.44(15) . .
O12 Pr1 C16 84.35(15) 6_556 .
O9 Pr1 C16 25.05(12) . .
O19 Pr1 C16 136.50(14) . .
O10 Pr1 C16 24.99(11) . .
O11 Pr1 C16 82.08(13) 6_556 .
O2 Pr1 C23 98.49(14) 4_566 6_556
O1 Pr1 C23 148.63(15) . 6_556
O4 Pr1 C23 94.96(13) 4_565 6_556
O20 Pr1 C23 69.31(16) . 6_556
O12 Pr1 C23 23.92(13) 6_556 6_556
O9 Pr1 C23 86.60(15) . 6_556
O19 Pr1 C23 138.35(15) . 6_556
O10 Pr1 C23 78.56(13) . 6_556
O11 Pr1 C23 25.54(12) 6_556 6_556
C16 Pr1 C23 84.76(15) . 6_556
O2 Pr1 Pr2 151.27(12) 4_566 .
O1 Pr1 Pr2 95.45(9) . .
O4 Pr1 Pr2 46.92(9) 4_565 .
O20 Pr1 Pr2 99.24(11) . .
O12 Pr1 Pr2 80.84(9) 6_556 .
O9 Pr1 Pr2 83.69(9) . .
O19 Pr1 Pr2 136.12(11) . .
O10 Pr1 Pr2 37.46(7) . .
O11 Pr1 Pr2 37.45(7) 6_556 .
C16 Pr1 Pr2 61.17(10) . .
C23 Pr1 Pr2 60.10(10) 6_556 .
O14 Pr2 O17 86.05(17) 6 .
O14 Pr2 O11 154.54(13) 6 6_556
O17 Pr2 O11 91.84(14) . 6_556
O14 Pr2 O10 93.57(13) 6 .
O17 Pr2 O10 141.91(15) . .
O11 Pr2 O10 72.72(11) 6_556 .
O14 Pr2 O3 83.95(14) 6 4_565
O17 Pr2 O3 142.77(15) . 4_565
O11 Pr2 O3 111.69(12) 6_556 4_565
O10 Pr2 O3 74.60(13) . 4_565
O14 Pr2 O18 79.01(16) 6 .
O17 Pr2 O18 70.07(17) . .
O11 Pr2 O18 76.44(15) 6_556 .
O10 Pr2 O18 72.48(14) . .
O3 Pr2 O18 141.63(16) 4_565 .
O14 Pr2 O5 129.29(13) 6 6
O17 Pr2 O5 74.96(17) . 6
O11 Pr2 O5 74.00(12) 6_556 6
O10 Pr2 O5 129.65(12) . 6
O3 Pr2 O5 84.04(14) 4_565 6
O18 Pr2 O5 132.80(16) . 6
O14 Pr2 O6 78.05(13) 6 6
O17 Pr2 O6 70.69(17) . 6
O11 Pr2 O6 125.04(13) 6_556 6
O10 Pr2 O6 146.38(14) . 6
O3 Pr2 O6 72.17(15) 4_565 6
O18 Pr2 O6 135.44(16) . 6
O5 Pr2 O6 51.39(12) 6 6
O14 Pr2 C14 103.33(15) 6 6
O17 Pr2 C14 72.33(18) . 6
O11 Pr2 C14 100.14(14) 6_556 6
O10 Pr2 C14 143.48(14) . 6
O3 Pr2 C14 75.29(15) 4_565 6
O18 Pr2 C14 142.08(17) . 6
O5 Pr2 C14 26.18(14) 6 6
O6 Pr2 C14 25.28(14) 6 6
O14 Pr2 O4 128.89(13) 6 4_565
O17 Pr2 O4 139.95(15) . 4_565
O11 Pr2 O4 65.01(10) 6_556 4_565
O10 Pr2 O4 64.49(10) . 4_565
O3 Pr2 O4 46.88(11) 4_565 4_565
O18 Pr2 O4 128.46(13) . 4_565
O5 Pr2 O4 67.59(12) 6 4_565
O6 Pr2 O4 95.46(13) 6 4_565
C14 Pr2 O4 79.88(14) 6 4_565
O14 Pr2 C15 105.99(15) 6 4_565
O17 Pr2 C15 147.41(16) . 4_565
O11 Pr2 C15 89.28(13) 6_556 4_565
O10 Pr2 C15 68.85(12) . 4_565
O3 Pr2 C15 22.61(12) 4_565 4_565
O18 Pr2 C15 141.21(15) . 4_565
O5 Pr2 C15 74.08(14) 6 4_565
O6 Pr2 C15 82.12(15) 6 4_565
C14 Pr2 C15 75.41(15) 6 4_565
O4 Pr2 C15 24.31(11) 4_565 4_565
O14 Pr2 Pr1 133.68(10) 6 .
O17 Pr2 Pr1 133.20(12) . .
O11 Pr2 Pr1 41.42(8) 6_556 .
O10 Pr2 Pr1 41.11(8) . .
O3 Pr2 Pr1 75.92(9) 4_565 .
O18 Pr2 Pr1 91.56(11) . .
O5 Pr2 Pr1 89.91(9) 6 .
O6 Pr2 Pr1 131.29(11) 6 .
C14 Pr2 Pr1 110.93(12) 6 .
O4 Pr2 Pr1 36.99(7) 4_565 .
C15 Pr2 Pr1 56.64(10) 4_565 .
C1 O1 Pr1 153.7(4) . .
C1 O2 Pr1 151.1(4) . 4_566
C15 O3 Pr2 106.8(3) . 4_565
C15 O4 Pr1 136.2(3) . 4_565
C15 O4 Pr2 84.4(3) . 4_565
Pr1 O4 Pr2 96.09(11) 4_565 4_565
C14 O5 Pr2 93.3(3) . 5
C14 O6 Pr2 94.2(3) . 5
C16 O9 Pr1 97.6(3) . .
C16 O10 Pr2 154.4(3) . .
C16 O10 Pr1 91.0(3) . .
Pr2 O10 Pr1 101.44(11) . .
C23 O11 Pr2 144.6(4) . 5_556
C23 O11 Pr1 90.0(3) . 5_556
Pr2 O11 Pr1 101.13(11) 5_556 5_556
C23 O12 Pr1 99.6(3) . 5_556
C30 O14 Pr2 149.2(4) . 5
O7 N1 O8 124.0(5) . .
O7 N1 C6 117.3(5) . .
O8 N1 C6 118.6(5) . .
O16 N2 O15 124.2(7) . .
O16 N2 C29 116.0(6) . .
O15 N2 C29 119.8(6) . .
O1 C1 O2 122.7(5) . .
O1 C1 C2 118.4(4) . .
O2 C1 C2 118.7(4) . .
C3 C2 C7 118.7(5) . .
C3 C2 C1 121.8(4) . .
C7 C2 C1 119.5(4) . .
C2 C3 C4 121.0(5) . .
C5 C4 C3 121.2(5) . .
C4 C5 C6 116.3(4) . .
C4 C5 C8 119.5(5) . .
C6 C5 C8 124.2(4) . .
C7 C6 C5 123.2(4) . .
C7 C6 N1 116.7(4) . .
C5 C6 N1 120.0(4) . .
C6 C7 C2 119.4(5) . .
C13 C8 C9 119.5(4) . .
C13 C8 C5 121.9(5) . .
C9 C8 C5 118.6(4) . .
C8 C9 C10 120.4(5) . .
C11 C10 C9 119.3(5) . .
C11 C10 C15 121.6(4) . .
C9 C10 C15 119.1(5) . .
C10 C11 C12 120.7(5) . .
C13 C12 C11 119.9(5) . .
C13 C12 C14 118.2(5) . .
C11 C12 C14 121.8(5) . .
C12 C13 C8 120.2(5) . .
O6 C14 O5 120.7(5) . .
O6 C14 C12 119.8(5) . .
O5 C14 C12 119.4(5) . .
O6 C14 Pr2 60.5(3) . 5
O5 C14 Pr2 60.5(3) . 5
C12 C14 Pr2 173.7(4) . 5
O3 C15 O4 121.8(5) . .
O3 C15 C10 120.2(4) . .
O4 C15 C10 118.0(5) . .
O3 C15 Pr2 50.6(3) . 4_565
O4 C15 Pr2 71.3(3) . 4_565
C10 C15 Pr2 170.0(4) . 4_565
O10 C16 O9 120.1(5) . .
O10 C16 C17 120.4(5) . .
O9 C16 C17 119.4(4) . .
O10 C16 Pr1 64.0(3) . .
O9 C16 Pr1 57.3(3) . .
C17 C16 Pr1 165.4(4) . .
C18 C17 C22 120.3(5) . .
C18 C17 C16 120.4(4) . .
C22 C17 C16 119.3(4) . .
C17 C18 C19 120.4(5) . .
C20 C19 C18 118.3(5) . .
C20 C19 C24 119.0(5) . .
C18 C19 C24 122.7(5) . .
C19 C20 C21 122.3(5) . .
C22 C21 C20 118.5(5) . .
C22 C21 C23 122.0(5) . .
C20 C21 C23 119.5(5) . .
C17 C22 C21 120.1(5) . .
O12 C23 O11 120.2(5) . .
O12 C23 C21 120.7(5) . .
O11 C23 C21 119.1(5) . .
O12 C23 Pr1 56.5(3) . 5_556
O11 C23 Pr1 64.5(3) . 5_556
C21 C23 Pr1 170.4(4) . 5_556
C25 C24 C29 116.7(5) . .
C25 C24 C19 120.4(5) . .
C29 C24 C19 122.4(5) . .
C24 C25 C26 121.5(6) . .
C25 C26 C27 120.5(6) . .
C28 C27 C26 119.0(5) . .
C28 C27 C30 119.9(5) . .
C26 C27 C30 121.1(6) . .
C29 C28 C27 118.6(5) . .
C28 C29 C24 123.5(5) . .
C28 C29 N2 115.9(5) . .
C24 C29 N2 120.2(5) . .
O13 C30 O14 123.6(6) . .
O13 C30 C27 118.3(6) . .
O14 C30 C27 118.0(6) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O2 2.370(4) 4_566
Pr1 O1 2.380(3) .
Pr1 O4 2.421(3) 4_565
Pr1 O20 2.498(4) .
Pr1 O12 2.528(4) 6_556
Pr1 O9 2.536(4) .
Pr1 O19 2.576(4) .
Pr1 O10 2.685(3) .
Pr1 O11 2.698(3) 6_556
Pr1 C16 2.986(5) .
Pr1 C23 2.990(5) 6_556
Pr1 Pr2 4.0021(4) .
Pr2 O14 2.346(4) 6
Pr2 O17 2.473(4) .
Pr2 O11 2.480(3) 6_556
Pr2 O10 2.483(3) .
Pr2 O3 2.492(4) 4_565
Pr2 O18 2.522(4) .
Pr2 O5 2.530(4) 6
Pr2 O6 2.533(4) 6
Pr2 C14 2.901(6) 6
Pr2 O4 2.940(4) 4_565
Pr2 C15 3.088(6) 4_565
O1 C1 1.229(6) .
O2 C1 1.247(6) .
O3 C15 1.240(6) .
O4 C15 1.277(6) .
O5 C14 1.282(6) .
O6 C14 1.243(7) .
O7 N1 1.206(6) .
O8 N1 1.217(6) .
O9 C16 1.276(6) .
O10 C16 1.262(6) .
O11 C23 1.289(6) .
O12 C23 1.230(6) .
O13 C30 1.251(8) .
O14 C30 1.283(7) .
O15 N2 1.197(7) .
O16 N2 1.192(8) .
N1 C6 1.488(6) .
N2 C29 1.465(8) .
C1 C2 1.497(7) .
C2 C3 1.378(7) .
C2 C7 1.393(7) .
C3 C4 1.391(7) .
C4 C5 1.383(7) .
C5 C6 1.403(7) .
C5 C8 1.506(6) .
C6 C7 1.363(6) .
C8 C13 1.390(7) .
C8 C9 1.396(7) .
C9 C10 1.396(6) .
C10 C11 1.382(7) .
C10 C15 1.483(7) .
C11 C12 1.390(7) .
C12 C13 1.388(7) .
C12 C14 1.495(7) .
C16 C17 1.493(7) .
C17 C18 1.391(7) .
C17 C22 1.392(7) .
C18 C19 1.406(7) .
C19 C20 1.380(7) .
C19 C24 1.494(7) .
C20 C21 1.403(7) .
C21 C22 1.396(7) .
C21 C23 1.470(7) .
C24 C25 1.385(8) .
C24 C29 1.395(8) .
C25 C26 1.387(8) .
C26 C27 1.402(8) .
C27 C28 1.394(8) .
C27 C30 1.505(8) .
C28 C29 1.386(7) .
