#------------------------------------------------------------------------------
#$Date: 2016-08-07 12:14:34 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185481 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/95/7039534.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_7039534
loop_
_publ_author_name
'Li, Lei-Lei'
'Pan, Rui'
'Zhao, Jun-Wei'
'Yang, Bai-Feng'
'Yang, Guo-Yu'
_publ_section_title
;
 Two novel pillared-layer lanthanide borates built by Ln@B12O28/29 ring
 clusters and dicarboxylate linkers (Ln = Pr, Nd).
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11628
_journal_page_last               11632
_journal_paper_doi               10.1039/c6dt01909a
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C24 H16 B8 O26 Pr2'
_chemical_formula_weight         1088.67
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-04-09 deposited with the CCDC.
2016-06-10 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 119.035(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   12.7199(5)
_cell_length_b                   22.5919(6)
_cell_length_c                   12.8072(5)
_cell_measurement_reflns_used    17870
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      29.5529
_cell_measurement_theta_min      3.1400
_cell_volume                     3217.8(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0352
_diffrn_reflns_av_sigmaI/netI    0.0234
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            33816
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.18
_exptl_absorpt_coefficient_mu    3.106
_exptl_absorpt_correction_T_max  0.6530
_exptl_absorpt_correction_T_min  0.5353
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    2.247
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             2104
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.777
_refine_diff_density_min         -0.929
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.048
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     541
_refine_ls_number_reflns         5652
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.048
_refine_ls_R_factor_all          0.0336
_refine_ls_R_factor_gt           0.0298
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0900P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1099
_refine_ls_wR_factor_ref         0.1132
_reflns_number_gt                5146
_reflns_number_total             5652
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt01909a2.cif
_cod_data_source_block           1
_cod_depositor_comments
;
The following automatic conversions were performed:

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

'_exptl_absorpt_correction_type' value 'MULTI-SCAN' changed to
'multi-scan' according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_refine_ls_hydrogen_treatment' value 'CONSTR' changed to 'constr'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7039534--7039535.cif.
;
_cod_original_cell_volume        3217.81(19)
_cod_original_sg_symbol_H-M      'P2(1)/c  '
_cod_database_code               7039534
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pr1 Pr 0.701248(19) 0.762667(10) 0.364315(19) 0.00783(11) Uani 1 1 d .
Pr2 Pr 0.206438(19) 0.711180(10) 0.357335(18) 0.00790(11) Uani 1 1 d .
B1 B 0.3995(4) 0.7811(2) 0.3181(4) 0.0103(10) Uani 1 1 d .
B2 B 0.4495(4) 0.7979(2) 0.1550(4) 0.0076(9) Uani 1 1 d .
B3 B 0.2484(4) 0.75825(19) 0.1110(4) 0.0074(10) Uani 1 1 d .
B4 B 0.0301(4) 0.7275(2) 0.0251(4) 0.0072(9) Uani 1 1 d .
B5 B -0.0515(4) 0.72879(19) 0.1660(4) 0.0076(9) Uani 1 1 d .
B6 B -0.2563(4) 0.7000(2) 0.1221(4) 0.0081(10) Uani 1 1 d .
B7 B -0.0919(4) 0.7112(2) 0.3332(4) 0.0098(10) Uani 1 1 d .
B8 B 0.5367(4) 0.74992(19) 0.5321(4) 0.0066(9) Uani 1 1 d .
O1 O 0.4317(2) 0.74656(12) 0.4259(2) 0.0112(6) Uani 1 1 d .
O2 O 0.3764(3) 0.84427(12) 0.3425(3) 0.0154(7) Uani 1 1 d .
O3 O 0.4860(3) 0.78504(12) 0.2787(3) 0.0082(6) Uani 1 1 d .
O4 O 0.4537(2) 0.86446(12) 0.1431(2) 0.0136(6) Uani 1 1 d .
O5 O 0.3278(3) 0.77718(14) 0.0739(3) 0.0089(6) Uani 1 1 d .
O6 O 0.2853(3) 0.75444(13) 0.2305(3) 0.0112(7) Uani 1 1 d .
O7 O 0.1382(3) 0.74492(13) 0.0221(2) 0.0099(6) Uani 1 1 d .
O8 O 0.0165(3) 0.66015(12) 0.0065(2) 0.0123(6) Uani 1 1 d .
O9 O 0.0389(3) 0.74189(12) 0.1412(3) 0.0082(6) Uani 1 1 d .
O10 O -0.1648(3) 0.71527(13) 0.0843(3) 0.0105(7) Uani 1 1 d .
O11 O 0.6340(3) 0.77389(14) 0.5312(3) 0.0124(6) Uani 1 1 d .
O12 O -0.2167(3) 0.71643(12) 0.2433(3) 0.0089(6) Uani 1 1 d .
O13 O -0.0720(2) 0.64659(12) 0.3746(3) 0.0137(6) Uani 1 1 d .
O14 O -0.0768(2) 0.74808(12) 0.4298(2) 0.0092(6) Uani 1 1 d .
O15 O -0.0106(3) 0.72598(14) 0.2869(3) 0.0086(6) Uani 1 1 d .
O16 O 0.5420(3) 0.72871(13) 0.6340(3) 0.0094(6) Uani 1 1 d .
O17 O 0.2324(3) 0.82176(13) 0.3895(3) 0.0194(7) Uani 1 1 d .
O18 O 0.1279(3) 0.62926(13) 0.1967(3) 0.0248(8) Uani 1 1 d .
O19 O 0.1241(3) 0.63309(14) 0.4372(3) 0.0210(7) Uani 1 1 d .
O20 O 0.3533(3) 0.86908(13) -0.0571(2) 0.0143(6) Uani 1 1 d .
O21 O 0.2720(3) 1.13399(12) 0.3861(2) 0.0158(6) Uani 1 1 d .
O22 O 0.3053(3) 1.12559(13) 0.5746(3) 0.0179(7) Uani 1 1 d .
O23 O 0.2610(4) 1.16747(16) 0.0140(4) 0.0503(12) Uani 1 1 d .
O24 O 0.4100(3) 1.16587(15) 0.1953(3) 0.0349(9) Uani 1 1 d .
O25 O 0.7620(3) 0.84448(14) 0.2627(3) 0.0292(8) Uani 1 1 d .
H25A H 0.6883 0.8497 0.2431 0.035 Uiso 1 1 d R
H25B H 0.7667 0.8409 0.1989 0.035 Uiso 1 1 d R
O26 O 0.0647(7) 0.3592(4) 0.3074(7) 0.130(3) Uani 1 1 d .
C1 C 0.3025(4) 0.85715(19) 0.3811(4) 0.0148(9) Uani 1 1 d .
C2 C 0.3076(4) 0.92050(18) 0.4140(4) 0.0166(9) Uani 1 1 d .
C3 C 0.3465(5) 0.9622(2) 0.3612(4) 0.0280(12) Uani 1 1 d .
H3 H 0.3749 0.9502 0.3100 0.034 Uiso 1 1 calc R
C4 C 0.3431(5) 1.0215(2) 0.3846(4) 0.0277(11) Uani 1 1 d .
H4 H 0.3650 1.0496 0.3456 0.033 Uiso 1 1 calc R
C5 C 0.3074(4) 1.03950(18) 0.4657(4) 0.0169(9) Uani 1 1 d .
C6 C 0.2784(4) 0.9980(2) 0.5273(4) 0.0213(10) Uani 1 1 d .
H6 H 0.2605 1.0100 0.5864 0.026 Uiso 1 1 calc R
C7 C 0.2761(4) 0.9383(2) 0.4997(4) 0.0217(10) Uani 1 1 d .
H7 H 0.2537 0.9102 0.5383 0.026 Uiso 1 1 calc R
C8 C 0.2953(4) 1.10413(18) 0.4814(4) 0.0127(9) Uani 1 1 d .
C9 C 0.4041(3) 0.89284(18) 0.0424(3) 0.0109(8) Uani 1 1 d .
C10 C 0.4052(4) 0.95800(19) 0.0551(4) 0.0168(9) Uani 1 1 d .
C11 C 0.3284(5) 0.9908(2) -0.0441(4) 0.0268(11) Uani 1 1 d .
H11 H 0.2879 0.9730 -0.1188 0.032 Uiso 1 1 calc R
C12 C 0.3123(5) 1.0506(2) -0.0313(5) 0.0329(13) Uani 1 1 d .
H12 H 0.2587 1.0724 -0.0974 0.039 Uiso 1 1 calc R
C13 C 0.3747(5) 1.0781(2) 0.0784(5) 0.0235(11) Uani 1 1 d .
C14 C 0.4590(4) 1.0458(2) 0.1763(4) 0.0242(11) Uani 1 1 d .
H14 H 0.5061 1.0644 0.2492 0.029 Uiso 1 1 calc R
C15 C 0.4716(4) 0.9859(2) 0.1639(4) 0.0219(10) Uani 1 1 d .
H15 H 0.5256 0.9640 0.2297 0.026 Uiso 1 1 calc R
C16 C 0.3481(5) 1.1413(2) 0.0975(5) 0.0271(11) Uani 1 1 d .
C17 C 0.0622(4) 0.62006(17) 0.0889(4) 0.0127(9) Uani 1 1 d .
C18 C 0.0289(4) 0.55816(19) 0.0424(4) 0.0161(9) Uani 1 1 d .
C19 C -0.0172(4) 0.54563(19) -0.0791(4) 0.0209(10) Uani 1 1 d .
H19 H -0.0288 0.5762 -0.1323 0.025 Uiso 1 1 calc R
C20 C 0.0455(4) 0.51155(19) 0.1207(4) 0.0194(10) Uani 1 1 d .
H20 H 0.0760 0.5192 0.2017 0.023 Uiso 1 1 calc R
C21 C 0.0257(4) 0.61616(18) 0.4227(3) 0.0136(9) Uani 1 1 d .
C22 C 0.0111(4) 0.55643(18) 0.4625(4) 0.0174(9) Uani 1 1 d .
C23 C -0.0988(4) 0.5308(2) 0.4202(5) 0.0373(14) Uani 1 1 d .
H23 H -0.1668 0.5515 0.3661 0.045 Uiso 1 1 calc R
C24 C 0.1122(4) 0.5253(2) 0.5446(5) 0.0356(14) Uani 1 1 d .
H24 H 0.1883 0.5421 0.5755 0.043 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0033 0.0016 '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
O3 Pr1 O12 121.57(10) . 1_655
O3 Pr1 O24 72.68(11) . 2_645
O12 Pr1 O24 77.86(11) 1_655 2_645
O3 Pr1 O10 117.22(10) . 4_676
O12 Pr1 O10 121.16(10) 1_655 4_676
O24 Pr1 O10 118.95(11) 2_645 4_676
O3 Pr1 O14 172.12(10) . 1_655
O12 Pr1 O14 54.25(9) 1_655 1_655
O24 Pr1 O14 111.00(11) 2_645 1_655
O10 Pr1 O14 67.66(9) 4_676 1_655
O3 Pr1 O23 106.47(12) . 2_645
O12 Pr1 O23 90.85(13) 1_655 2_645
O24 Pr1 O23 50.65(12) 2_645 2_645
O10 Pr1 O23 70.28(11) 4_676 2_645
O14 Pr1 O23 80.81(12) 1_655 2_645
O3 Pr1 O25 99.72(10) . .
O12 Pr1 O25 70.57(10) 1_655 .
O24 Pr1 O25 136.96(12) 2_645 .
O10 Pr1 O25 102.42(11) 4_676 .
O14 Pr1 O25 72.77(10) 1_655 .
O23 Pr1 O25 153.27(14) 2_645 .
O3 Pr1 O16 53.46(10) . 4_575
O12 Pr1 O16 70.27(9) 1_655 4_575
O24 Pr1 O16 73.30(11) 2_645 4_575
O10 Pr1 O16 163.61(10) 4_676 4_575
O14 Pr1 O16 120.14(9) 1_655 4_575
O23 Pr1 O16 123.67(11) 2_645 4_575
O25 Pr1 O16 69.00(10) . 4_575
O3 Pr1 O22 75.44(9) . 3_676
O12 Pr1 O22 131.85(9) 1_655 3_676
O24 Pr1 O22 145.35(11) 2_645 3_676
O10 Pr1 O22 65.55(9) 4_676 3_676
O14 Pr1 O22 102.37(9) 1_655 3_676
O23 Pr1 O22 129.98(12) 2_645 3_676
O25 Pr1 O22 61.87(10) . 3_676
O16 Pr1 O22 98.13(9) 4_575 3_676
O3 Pr1 O11 67.50(9) . .
O12 Pr1 O11 159.22(9) 1_655 .
O24 Pr1 O11 88.49(11) 2_645 .
O10 Pr1 O11 52.83(9) 4_676 .
O14 Pr1 O11 118.89(9) 1_655 .
O23 Pr1 O11 68.37(13) 2_645 .
O25 Pr1 O11 128.67(10) . .
O16 Pr1 O11 120.92(9) 4_575 .
O22 Pr1 O11 66.81(9) 3_676 .
O3 Pr1 C16 89.10(12) . 2_645
O12 Pr1 C16 84.19(12) 1_655 2_645
O24 Pr1 C16 25.15(13) 2_645 2_645
O10 Pr1 C16 94.69(13) 4_676 2_645
O14 Pr1 C16 96.78(12) 1_655 2_645
O23 Pr1 C16 25.50(14) 2_645 2_645
O25 Pr1 C16 154.28(13) . 2_645
O16 Pr1 C16 98.37(13) 4_575 2_645
O22 Pr1 C16 143.77(12) 3_676 2_645
O11 Pr1 C16 77.03(12) . 2_645
O3 Pr1 B7 149.11(11) . 1_655
O12 Pr1 B7 27.57(11) 1_655 1_655
O24 Pr1 B7 91.31(12) 2_645 1_655
O10 Pr1 B7 93.60(12) 4_676 1_655
O14 Pr1 B7 27.37(11) 1_655 1_655
O23 Pr1 B7 80.89(14) 2_645 1_655
O25 Pr1 B7 73.82(12) . 1_655
O16 Pr1 B7 97.10(11) 4_575 1_655
O22 Pr1 B7 123.28(11) 3_676 1_655
O11 Pr1 B7 140.01(11) . 1_655
C16 Pr1 B7 86.19(13) 2_645 1_655
O3 Pr1 H25A 80.5 . .
O12 Pr1 H25A 82.1 1_655 .
O24 Pr1 H25A 130.4 2_645 .
O10 Pr1 H25A 110.3 4_676 .
O14 Pr1 H25A 92.0 1_655 .
O23 Pr1 H25A 172.0 2_645 .
O25 Pr1 H25A 19.3 . .
O16 Pr1 H25A 57.2 4_575 .
O22 Pr1 H25A 54.9 3_676 .
O11 Pr1 H25A 118.7 . .
C16 Pr1 H25A 155.0 2_645 .
B7 Pr1 H25A 91.1 1_655 .
O5 Pr2 O20 69.35(10) 4_576 4_576
O5 Pr2 O15 112.16(10) 4_576 .
O20 Pr2 O15 137.48(10) 4_576 .
O5 Pr2 O6 117.74(10) 4_576 .
O20 Pr2 O6 96.97(10) 4_576 .
O15 Pr2 O6 116.17(10) . .
O5 Pr2 O19 76.83(11) 4_576 .
O20 Pr2 O19 71.07(10) 4_576 .
O15 Pr2 O19 68.36(10) . .
O6 Pr2 O19 157.43(11) . .
O5 Pr2 O17 75.43(11) 4_576 .
O20 Pr2 O17 130.41(10) 4_576 .
O15 Pr2 O17 87.72(10) . .
O6 Pr2 O17 69.87(10) . .
O19 Pr2 O17 132.51(10) . .
O5 Pr2 O18 140.14(10) 4_576 .
O20 Pr2 O18 75.03(9) 4_576 .
O15 Pr2 O18 82.81(10) . .
O6 Pr2 O18 83.32(11) . .
O19 Pr2 O18 75.19(11) . .
O17 Pr2 O18 143.92(10) . .
O5 Pr2 O9 154.82(9) 4_576 .
O20 Pr2 O9 135.82(9) 4_576 .
O15 Pr2 O9 52.55(9) . .
O6 Pr2 O9 65.66(10) . .
O19 Pr2 O9 109.16(9) . .
O17 Pr2 O9 83.46(10) . .
O18 Pr2 O9 63.21(9) . .
O5 Pr2 O1 67.06(10) 4_576 .
O20 Pr2 O1 67.15(9) 4_576 .
O15 Pr2 O1 154.85(10) . .
O6 Pr2 O1 52.44(9) . .
O19 Pr2 O1 131.89(9) . .
O17 Pr2 O1 67.51(9) . .
O18 Pr2 O1 114.44(10) . .
O9 Pr2 O1 117.16(9) . .
O5 Pr2 O7 50.86(9) 4_576 4_576
O20 Pr2 O7 111.73(9) 4_576 4_576
O15 Pr2 O7 62.09(9) . 4_576
O6 Pr2 O7 135.91(10) . 4_576
O19 Pr2 O7 66.52(10) . 4_576
O17 Pr2 O7 66.04(9) . 4_576
O18 Pr2 O7 135.04(10) . 4_576
O9 Pr2 O7 107.88(9) . 4_576
O1 Pr2 O7 108.54(9) . 4_576
O5 Pr2 B5 138.14(12) 4_576 .
O20 Pr2 B5 138.88(11) 4_576 .
O15 Pr2 B5 26.69(11) . .
O6 Pr2 B5 92.41(11) . .
O19 Pr2 B5 85.37(11) . .
O17 Pr2 B5 90.38(11) . .
O18 Pr2 B5 66.43(11) . .
O9 Pr2 B5 26.85(12) . .
O1 Pr2 B5 142.61(11) . .
O7 Pr2 B5 87.32(11) 4_576 .
O5 Pr2 B3 25.37(12) 4_576 4_576
O20 Pr2 B3 89.42(11) 4_576 4_576
O15 Pr2 B3 86.92(11) . 4_576
O6 Pr2 B3 132.64(11) . 4_576
O19 Pr2 B3 67.88(11) . 4_576
O17 Pr2 B3 70.54(11) . 4_576
O18 Pr2 B3 142.89(11) . 4_576
O9 Pr2 B3 132.90(11) . 4_576
O1 Pr2 B3 88.69(11) . 4_576
O7 Pr2 B3 25.63(11) 4_576 4_576
B5 Pr2 B3 112.78(13) . 4_576
O3 B1 O1 117.4(4) . .
O3 B1 O6 113.9(4) . .
O1 B1 O6 102.9(3) . .
O3 B1 O2 106.0(3) . .
O1 B1 O2 107.5(3) . .
O6 B1 O2 108.9(3) . .
O3 B2 O16 105.1(3) . 4_575
O3 B2 O5 112.4(4) . .
O16 B2 O5 114.1(3) 4_575 .
O3 B2 O4 107.6(3) . .
O16 B2 O4 108.6(3) 4_575 .
O5 B2 O4 108.9(3) . .
O3 B2 Pr1 50.08(18) . .
O16 B2 Pr1 57.97(19) 4_575 .
O5 B2 Pr1 145.2(3) . .
O4 B2 Pr1 105.5(2) . .
O7 B3 O6 125.8(4) . .
O7 B3 O5 114.6(4) . .
O6 B3 O5 119.7(4) . .
O7 B3 Pr2 65.4(2) . 4_575
O6 B3 Pr2 167.4(3) . 4_575
O5 B3 Pr2 49.6(2) . 4_575
O14 B4 O7 113.3(3) 4_575 .
O14 B4 O9 110.7(3) 4_575 .
O7 B4 O9 111.0(3) . .
O14 B4 O8 105.2(3) 4_575 .
O7 B4 O8 107.5(3) . .
O9 B4 O8 108.9(3) . .
O10 B5 O9 125.1(4) . .
O10 B5 O15 123.0(4) . .
O9 B5 O15 111.7(4) . .
O10 B5 Pr2 159.2(3) . .
O9 B5 Pr2 60.7(2) . .
O15 B5 Pr2 54.0(2) . .
O12 B6 O11 117.6(4) . 4_475
O12 B6 O10 111.7(3) . .
O11 B6 O10 104.1(3) 4_475 .
O12 B6 O21 107.4(3) . 2_545
O11 B6 O21 107.8(3) 4_475 2_545
O10 B6 O21 107.7(3) . 2_545
O14 B7 O12 106.1(3) . .
O14 B7 O15 113.3(4) . .
O12 B7 O15 112.3(4) . .
O14 B7 O13 109.0(3) . .
O12 B7 O13 106.7(3) . .
O15 B7 O13 109.2(3) . .
O14 B7 Pr1 55.2(2) . 1_455
O12 B7 Pr1 52.65(19) . 1_455
O15 B7 Pr1 141.9(3) . 1_455
O13 B7 Pr1 108.8(3) . 1_455
O11 B8 O16 121.9(4) . .
O11 B8 O1 117.9(4) . .
O16 B8 O1 120.2(4) . .
B8 O1 B1 126.9(3) . .
B8 O1 Pr2 135.6(3) . .
B1 O1 Pr2 94.9(2) . .
C1 O2 B1 122.7(3) . .
B1 O3 B2 120.6(3) . .
B1 O3 Pr1 135.8(3) . .
B2 O3 Pr1 103.1(2) . .
C9 O4 B2 124.6(3) . .
B3 O5 B2 123.7(3) . .
B3 O5 Pr2 105.1(3) . 4_575
B2 O5 Pr2 129.8(3) . 4_575
B3 O6 B1 120.3(3) . .
B3 O6 Pr2 136.7(3) . .
B1 O6 Pr2 103.0(2) . .
B3 O7 B4 130.7(3) . .
B3 O7 Pr2 89.0(2) . 4_575
B4 O7 Pr2 139.1(2) . 4_575
C17 O8 B4 126.4(3) . .
B5 O9 B4 121.8(3) . .
B5 O9 Pr2 92.4(2) . .
B4 O9 Pr2 128.9(2) . .
B5 O10 B6 120.6(3) . .
B5 O10 Pr1 135.2(3) . 4_475
B6 O10 Pr1 101.3(2) . 4_475
B8 O11 B6 133.4(3) . 4_676
B8 O11 Pr1 128.1(3) . .
B6 O11 Pr1 97.1(2) 4_676 .
B6 O12 B7 121.1(3) . .
B6 O12 Pr1 139.0(3) . 1_455
B7 O12 Pr1 99.8(2) . 1_455
C21 O13 B7 129.3(3) . .
B4 O14 B7 129.8(3) 4_576 .
B4 O14 Pr1 132.5(3) 4_576 1_455
B7 O14 Pr1 97.4(2) . 1_455
B5 O15 B7 120.8(3) . .
B5 O15 Pr2 99.4(2) . .
B7 O15 Pr2 134.9(2) . .
B8 O16 B2 130.8(3) . 4_576
B8 O16 Pr1 134.1(3) . 4_576
B2 O16 Pr1 94.3(2) 4_576 4_576
C1 O17 Pr2 131.7(3) . .
C17 O18 Pr2 143.2(3) . .
C21 O19 Pr2 138.6(3) . .
C9 O20 Pr2 133.3(3) . 4_575
C8 O21 B6 123.0(3) . 2
C8 O22 Pr1 130.8(3) . 3_676
C16 O23 Pr1 92.9(3) . 2_655
C16 O24 Pr1 95.5(3) . 2_655
Pr1 O25 H25A 72.1 . .
Pr1 O25 H25B 126.3 . .
H25A O25 H25B 108.0 . .
O17 C1 O2 125.2(4) . .
O17 C1 C2 122.0(4) . .
O2 C1 C2 112.8(4) . .
C3 C2 C7 119.6(4) . .
C3 C2 C1 119.6(4) . .
C7 C2 C1 120.7(4) . .
C4 C3 C2 119.9(4) . .
C4 C3 H3 120.0 . .
C2 C3 H3 120.0 . .
C3 C4 C5 120.5(4) . .
C3 C4 H4 119.8 . .
C5 C4 H4 119.8 . .
C4 C5 C6 120.3(4) . .
C4 C5 C8 118.9(4) . .
C6 C5 C8 120.8(4) . .
C5 C6 C7 119.3(4) . .
C5 C6 H6 120.4 . .
C7 C6 H6 120.4 . .
C6 C7 C2 120.0(4) . .
C6 C7 H7 120.0 . .
C2 C7 H7 120.0 . .
O22 C8 O21 125.0(4) . .
O22 C8 C5 123.0(4) . .
O21 C8 C5 112.0(4) . .
O20 C9 O4 124.6(4) . .
O20 C9 C10 121.2(4) . .
O4 C9 C10 114.1(4) . .
C15 C10 C11 119.7(4) . .
C15 C10 C9 122.2(4) . .
C11 C10 C9 117.9(4) . .
C10 C11 C12 119.5(4) . .
C10 C11 H11 120.2 . .
C12 C11 H11 120.2 . .
C13 C12 C11 120.8(4) . .
C13 C12 H12 119.6 . .
C11 C12 H12 119.6 . .
C12 C13 C14 119.4(4) . .
C12 C13 C16 121.7(5) . .
C14 C13 C16 118.8(4) . .
C15 C14 C13 119.4(5) . .
C15 C14 H14 120.3 . .
C13 C14 H14 120.3 . .
C14 C15 C10 120.9(4) . .
C14 C15 H15 119.5 . .
C10 C15 H15 119.5 . .
O24 C16 O23 120.9(5) . .
O24 C16 C13 120.2(5) . .
O23 C16 C13 118.8(5) . .
O24 C16 Pr1 59.4(2) . 2_655
O23 C16 Pr1 61.6(3) . 2_655
C13 C16 Pr1 179.6(4) . 2_655
O18 C17 O8 125.9(4) . .
O18 C17 C18 120.6(4) . .
O8 C17 C18 113.6(3) . .
C20 C18 C19 118.8(4) . .
C20 C18 C17 120.2(4) . .
C19 C18 C17 121.0(4) . .
C20 C19 C18 120.6(4) 3_565 .
C20 C19 H19 119.7 3_565 .
C18 C19 H19 119.7 . .
C19 C20 C18 120.6(4) 3_565 .
C19 C20 H20 119.7 3_565 .
C18 C20 H20 119.7 . .
O19 C21 O13 125.5(4) . .
O19 C21 C22 121.1(4) . .
O13 C21 C22 113.4(4) . .
C23 C22 C24 118.7(4) . .
C23 C22 C21 121.7(4) . .
C24 C22 C21 119.6(4) . .
C22 C23 C24 121.7(5) . 3_566
C22 C23 H23 119.1 . .
C24 C23 H23 119.1 3_566 .
C23 C24 C22 119.6(5) 3_566 .
C23 C24 H24 120.2 3_566 .
C22 C24 H24 120.2 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 O3 2.457(3) .
Pr1 O12 2.480(3) 1_655
Pr1 O24 2.514(3) 2_645
Pr1 O10 2.536(3) 4_676
Pr1 O14 2.546(3) 1_655
Pr1 O23 2.560(4) 2_645
Pr1 O25 2.585(3) .
Pr1 O16 2.653(3) 4_575
Pr1 O22 2.656(3) 3_676
Pr1 O11 2.672(3) .
Pr1 C16 2.907(5) 2_645
Pr1 B7 3.075(5) 1_655
Pr1 H25A 2.4604 .
Pr2 O5 2.447(3) 4_576
Pr2 O20 2.448(3) 4_576
Pr2 O15 2.475(3) .
Pr2 O6 2.487(3) .
Pr2 O19 2.509(3) .
Pr2 O17 2.527(3) .
Pr2 O18 2.581(3) .
Pr2 O9 2.638(3) .
Pr2 O1 2.680(3) .
Pr2 O7 2.822(3) 4_576
Pr2 B5 3.021(5) .
Pr2 B3 3.104(5) 4_576
B1 O3 1.418(6) .
B1 O1 1.461(5) .
B1 O6 1.466(6) .
B1 O2 1.520(5) .
B2 O3 1.447(5) .
B2 O16 1.458(6) 4_575
B2 O5 1.460(5) .
B2 O4 1.515(5) .
B3 O7 1.343(6) .
B3 O6 1.368(6) .
B3 O5 1.377(6) .
B3 Pr2 3.104(5) 4_575
B4 O14 1.425(5) 4_575
B4 O7 1.450(5) .
B4 O9 1.472(5) .
B4 O8 1.537(5) .
B5 O10 1.342(6) .
B5 O9 1.366(6) .
B5 O15 1.375(6) .
B6 O12 1.430(5) .
B6 O11 1.440(5) 4_475
B6 O10 1.501(6) .
B6 O21 1.501(5) 2_545
B7 O14 1.426(6) .
B7 O12 1.444(6) .
B7 O15 1.458(6) .
B7 O13 1.532(5) .
B7 Pr1 3.075(5) 1_455
B8 O11 1.355(6) .
B8 O16 1.362(5) .
B8 O1 1.369(5) .
O2 C1 1.290(5) .
O4 C9 1.297(5) .
O5 Pr2 2.447(3) 4_575
O7 Pr2 2.822(3) 4_575
O8 C17 1.295(5) .
O10 Pr1 2.536(3) 4_475
O11 B6 1.440(5) 4_676
O12 Pr1 2.480(3) 1_455
O13 C21 1.286(5) .
O14 B4 1.425(5) 4_576
O14 Pr1 2.546(3) 1_455
O16 B2 1.458(6) 4_576
O16 Pr1 2.653(3) 4_576
O17 C1 1.241(5) .
O18 C17 1.236(5) .
O19 C21 1.233(5) .
O20 C9 1.236(5) .
O20 Pr2 2.448(3) 4_575
O21 C8 1.297(5) .
O21 B6 1.501(5) 2
O22 C8 1.236(5) .
O22 Pr1 2.656(3) 3_676
O23 C16 1.253(6) .
O23 Pr1 2.561(4) 2_655
O24 C16 1.241(6) .
O24 Pr1 2.514(3) 2_655
O25 H25A 0.8529 .
O25 H25B 0.8521 .
C1 C2 1.484(6) .
C2 C3 1.384(6) .
C2 C7 1.398(6) .
C3 C4 1.377(7) .
C3 H3 0.9300 .
C4 C5 1.381(7) .
C4 H4 0.9300 .
C5 C6 1.386(6) .
C5 C8 1.492(6) .
C6 C7 1.391(6) .
C6 H6 0.9300 .
C7 H7 0.9300 .
C9 C10 1.480(6) .
C10 C15 1.381(6) .
C10 C11 1.384(6) .
C11 C12 1.387(7) .
C11 H11 0.9300 .
C12 C13 1.380(7) .
C12 H12 0.9300 .
C13 C14 1.396(7) .
C13 C16 1.514(6) .
C14 C15 1.381(6) .
C14 H14 0.9300 .
C15 H15 0.9300 .
C16 Pr1 2.908(5) 2_655
C17 C18 1.498(6) .
C18 C20 1.398(6) .
C18 C19 1.400(6) .
C19 C20 1.377(6) 3_565
C19 H19 0.9300 .
C20 C19 1.377(6) 3_565
C20 H20 0.9300 .
C21 C22 1.486(6) .
C22 C23 1.359(7) .
C22 C24 1.394(6) .
C23 C24 1.383(7) 3_566
C23 H23 0.9300 .
C24 C23 1.383(7) 3_566
C24 H24 0.9300 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O12 Pr1 B2 O3 153.4(2) 1_655 .
O24 Pr1 B2 O3 77.9(2) 2_645 .
O10 Pr1 B2 O3 -41.3(3) 4_676 .
O14 Pr1 B2 O3 -174.22(18) 1_655 .
O23 Pr1 B2 O3 57.1(3) 2_645 .
O25 Pr1 B2 O3 -138.2(2) . .
O16 Pr1 B2 O3 157.4(4) 4_575 .
O22 Pr1 B2 O3 -75.3(2) 3_676 .
O11 Pr1 B2 O3 -9.6(2) . .
C16 Pr1 B2 O3 67.9(2) 2_645 .
B7 Pr1 B2 O3 160.1(2) 1_655 .
O3 Pr1 B2 O16 -157.4(4) . 4_575
O12 Pr1 B2 O16 -4.0(2) 1_655 4_575
O24 Pr1 B2 O16 -79.4(2) 2_645 4_575
O10 Pr1 B2 O16 161.4(2) 4_676 4_575
O14 Pr1 B2 O16 28.4(3) 1_655 4_575
O23 Pr1 B2 O16 -100.3(3) 2_645 4_575
O25 Pr1 B2 O16 64.4(2) . 4_575
O22 Pr1 B2 O16 127.3(2) 3_676 4_575
O11 Pr1 B2 O16 -166.9(2) . 4_575
C16 Pr1 B2 O16 -89.4(2) 2_645 4_575
B7 Pr1 B2 O16 2.7(3) 1_655 4_575
O3 Pr1 B2 O5 -70.7(5) . .
O12 Pr1 B2 O5 82.7(5) 1_655 .
O24 Pr1 B2 O5 7.3(5) 2_645 .
O10 Pr1 B2 O5 -111.9(5) 4_676 .
O14 Pr1 B2 O5 115.1(5) 1_655 .
O23 Pr1 B2 O5 -13.6(6) 2_645 .
O25 Pr1 B2 O5 151.2(5) . .
O16 Pr1 B2 O5 86.7(5) 4_575 .
O22 Pr1 B2 O5 -146.0(5) 3_676 .
O11 Pr1 B2 O5 -80.2(5) . .
C16 Pr1 B2 O5 -2.7(5) 2_645 .
B7 Pr1 B2 O5 89.4(5) 1_655 .
O3 Pr1 B2 O4 100.1(3) . .
O12 Pr1 B2 O4 -106.5(2) 1_655 .
O24 Pr1 B2 O4 178.1(3) 2_645 .
O10 Pr1 B2 O4 58.9(3) 4_676 .
O14 Pr1 B2 O4 -74.1(3) 1_655 .
O23 Pr1 B2 O4 157.2(2) 2_645 .
O25 Pr1 B2 O4 -38.1(2) . .
O16 Pr1 B2 O4 -102.5(3) 4_575 .
O22 Pr1 B2 O4 24.8(2) 3_676 .
O11 Pr1 B2 O4 90.6(3) . .
C16 Pr1 B2 O4 168.1(2) 2_645 .
B7 Pr1 B2 O4 -99.8(3) 1_655 .
O5 Pr2 B5 O10 -104.6(9) 4_576 .
O20 Pr2 B5 O10 13.7(10) 4_576 .
O15 Pr2 B5 O10 -88.8(9) . .
O6 Pr2 B5 O10 117.2(9) . .
O19 Pr2 B5 O10 -40.3(9) . .
O17 Pr2 B5 O10 -172.9(9) . .
O18 Pr2 B5 O10 35.6(9) . .
O9 Pr2 B5 O10 112.5(10) . .
O1 Pr2 B5 O10 135.5(8) . .
O7 Pr2 B5 O10 -106.9(9) 4_576 .
B3 Pr2 B5 O10 -103.9(9) 4_576 .
O5 Pr2 B5 O9 142.9(2) 4_576 .
O20 Pr2 B5 O9 -98.7(2) 4_576 .
O15 Pr2 B5 O9 158.8(4) . .
O6 Pr2 B5 O9 4.8(2) . .
O19 Pr2 B5 O9 -152.7(2) . .
O17 Pr2 B5 O9 74.6(2) . .
O18 Pr2 B5 O9 -76.9(2) . .
O1 Pr2 B5 O9 23.0(3) . .
O7 Pr2 B5 O9 140.6(2) 4_576 .
B3 Pr2 B5 O9 143.6(2) 4_576 .
O5 Pr2 B5 O15 -15.9(3) 4_576 .
O20 Pr2 B5 O15 102.5(3) 4_576 .
O6 Pr2 B5 O15 -154.0(2) . .
O19 Pr2 B5 O15 48.5(2) . .
O17 Pr2 B5 O15 -84.2(2) . .
O18 Pr2 B5 O15 124.3(3) . .
O9 Pr2 B5 O15 -158.8(4) . .
O1 Pr2 B5 O15 -135.7(2) . .
O7 Pr2 B5 O15 -18.2(2) 4_576 .
B3 Pr2 B5 O15 -15.2(3) 4_576 .
O11 B8 O1 B1 -20.2(6) . .
O16 B8 O1 B1 160.9(4) . .
O11 B8 O1 Pr2 -176.7(2) . .
O16 B8 O1 Pr2 4.4(6) . .
O3 B1 O1 B8 47.8(6) . .
O6 B1 O1 B8 173.7(4) . .
O2 B1 O1 B8 -71.4(5) . .
O3 B1 O1 Pr2 -148.5(3) . .
O6 B1 O1 Pr2 -22.5(3) . .
O2 B1 O1 Pr2 92.4(3) . .
O5 Pr2 O1 B8 13.1(3) 4_576 .
O20 Pr2 O1 B8 -63.2(4) 4_576 .
O15 Pr2 O1 B8 106.6(4) . .
O6 Pr2 O1 B8 177.5(4) . .
O19 Pr2 O1 B8 -31.5(4) . .
O17 Pr2 O1 B8 96.2(4) . .
O18 Pr2 O1 B8 -123.2(4) . .
O9 Pr2 O1 B8 165.6(3) . .
O7 Pr2 O1 B8 43.2(4) 4_576 .
B5 Pr2 O1 B8 154.2(3) . .
B3 Pr2 O1 B8 26.7(4) 4_576 .
O5 Pr2 O1 B1 -148.2(3) 4_576 .
O20 Pr2 O1 B1 135.5(3) 4_576 .
O15 Pr2 O1 B1 -54.7(3) . .
O6 Pr2 O1 B1 16.1(2) . .
O19 Pr2 O1 B1 167.2(2) . .
O17 Pr2 O1 B1 -65.2(2) . .
O18 Pr2 O1 B1 75.4(2) . .
O9 Pr2 O1 B1 4.3(3) . .
O7 Pr2 O1 B1 -118.1(2) 4_576 .
B5 Pr2 O1 B1 -7.2(3) . .
B3 Pr2 O1 B1 -134.6(2) 4_576 .
O3 B1 O2 C1 -179.4(3) . .
O1 B1 O2 C1 -53.1(5) . .
O6 B1 O2 C1 57.7(5) . .
O1 B1 O3 B2 156.6(4) . .
O6 B1 O3 B2 36.3(5) . .
O2 B1 O3 B2 -83.4(4) . .
O1 B1 O3 Pr1 -13.6(6) . .
O6 B1 O3 Pr1 -133.9(3) . .
O2 B1 O3 Pr1 106.4(4) . .
O16 B2 O3 B1 -153.3(3) 4_575 .
O5 B2 O3 B1 -28.7(5) . .
O4 B2 O3 B1 91.2(4) . .
Pr1 B2 O3 B1 -173.0(4) . .
O16 B2 O3 Pr1 19.7(3) 4_575 .
O5 B2 O3 Pr1 144.3(3) . .
O4 B2 O3 Pr1 -95.8(3) . .
O12 Pr1 O3 B1 140.0(4) 1_655 .
O24 Pr1 O3 B1 76.7(4) 2_645 .
O10 Pr1 O3 B1 -37.5(4) 4_676 .
O14 Pr1 O3 B1 -164.3(6) 1_655 .
O23 Pr1 O3 B1 38.4(4) 2_645 .
O25 Pr1 O3 B1 -146.9(4) . .
O16 Pr1 O3 B1 158.5(4) 4_575 .
O22 Pr1 O3 B1 -89.5(4) 3_676 .
O11 Pr1 O3 B1 -19.0(4) . .
C16 Pr1 O3 B1 57.3(4) 2_645 .
B7 Pr1 O3 B1 138.4(4) 1_655 .
O12 Pr1 O3 B2 -31.4(3) 1_655 .
O24 Pr1 O3 B2 -94.6(2) 2_645 .
O10 Pr1 O3 B2 151.2(2) 4_676 .
O14 Pr1 O3 B2 24.4(7) 1_655 .
O23 Pr1 O3 B2 -132.9(2) 2_645 .
O25 Pr1 O3 B2 41.7(2) . .
O16 Pr1 O3 B2 -12.9(2) 4_575 .
O22 Pr1 O3 B2 99.1(2) 3_676 .
O11 Pr1 O3 B2 169.7(3) . .
C16 Pr1 O3 B2 -114.0(3) 2_645 .
B7 Pr1 O3 B2 -33.0(3) 1_655 .
O3 B2 O4 C9 -165.2(3) . .
O16 B2 O4 C9 81.6(5) 4_575 .
O5 B2 O4 C9 -43.1(5) . .
Pr1 B2 O4 C9 142.5(3) . .
O7 B3 O5 B2 175.5(4) . .
O6 B3 O5 B2 -4.5(6) . .
Pr2 B3 O5 B2 167.5(5) 4_575 .
O7 B3 O5 Pr2 8.0(4) . 4_575
O6 B3 O5 Pr2 -172.0(3) . 4_575
O3 B2 O5 B3 11.9(6) . .
O16 B2 O5 B3 131.4(4) 4_575 .
O4 B2 O5 B3 -107.1(4) . .
Pr1 B2 O5 B3 63.5(7) . .
O3 B2 O5 Pr2 176.2(2) . 4_575
O16 B2 O5 Pr2 -64.3(5) 4_575 4_575
O4 B2 O5 Pr2 57.1(4) . 4_575
Pr1 B2 O5 Pr2 -132.3(4) . 4_575
O7 B3 O6 B1 -167.9(4) . .
O5 B3 O6 B1 12.1(6) . .
Pr2 B3 O6 B1 -17.1(16) 4_575 .
O7 B3 O6 Pr2 11.7(7) . .
O5 B3 O6 Pr2 -168.3(3) . .
Pr2 B3 O6 Pr2 162.5(12) 4_575 .
O3 B1 O6 B3 -27.2(5) . .
O1 B1 O6 B3 -155.3(4) . .
O2 B1 O6 B3 90.8(4) . .
O3 B1 O6 Pr2 153.1(3) . .
O1 B1 O6 Pr2 25.0(3) . .
O2 B1 O6 Pr2 -88.9(3) . .
O5 Pr2 O6 B3 -179.8(4) 4_576 .
O20 Pr2 O6 B3 109.9(4) 4_576 .
O15 Pr2 O6 B3 -42.6(4) . .
O19 Pr2 O6 B3 53.8(5) . .
O17 Pr2 O6 B3 -119.5(4) . .
O18 Pr2 O6 B3 35.9(4) . .
O9 Pr2 O6 B3 -27.6(4) . .
O1 Pr2 O6 B3 163.9(4) . .
O7 Pr2 O6 B3 -118.6(4) 4_576 .
B5 Pr2 O6 B3 -30.0(4) . .
B3 Pr2 O6 B3 -154.4(4) 4_576 .
O5 Pr2 O6 B1 -0.2(3) 4_576 .
O20 Pr2 O6 B1 -70.5(3) 4_576 .
O15 Pr2 O6 B1 137.0(2) . .
O19 Pr2 O6 B1 -126.6(3) . .
O17 Pr2 O6 B1 60.1(3) . .
O18 Pr2 O6 B1 -144.4(3) . .
O9 Pr2 O6 B1 152.0(3) . .
O1 Pr2 O6 B1 -16.4(2) . .
O7 Pr2 O6 B1 61.0(3) 4_576 .
B5 Pr2 O6 B1 149.7(3) . .
B3 Pr2 O6 B1 25.2(3) 4_576 .
O6 B3 O7 B4 4.5(7) . .
O5 B3 O7 B4 -175.6(4) . .
Pr2 B3 O7 B4 -168.9(4) 4_575 .
O6 B3 O7 Pr2 173.3(4) . 4_575
O5 B3 O7 Pr2 -6.7(3) . 4_575
O14 B4 O7 B3 142.3(4) 4_575 .
O9 B4 O7 B3 17.0(6) . .
O8 B4 O7 B3 -102.0(5) . .
O14 B4 O7 Pr2 -20.6(6) 4_575 4_575
O9 B4 O7 Pr2 -145.8(3) . 4_575
O8 B4 O7 Pr2 95.2(4) . 4_575
O14 B4 O8 C17 -150.7(4) 4_575 .
O7 B4 O8 C17 88.3(4) . .
O9 B4 O8 C17 -32.1(5) . .
O10 B5 O9 B4 -16.4(6) . .
O15 B5 O9 B4 158.3(3) . .
Pr2 B5 O9 B4 140.0(3) . .
O10 B5 O9 Pr2 -156.4(4) . .
O15 B5 O9 Pr2 18.4(3) . .
O14 B4 O9 B5 54.3(5) 4_575 .
O7 B4 O9 B5 -179.0(3) . .
O8 B4 O9 B5 -60.8(5) . .
O14 B4 O9 Pr2 178.7(2) 4_575 .
O7 B4 O9 Pr2 -54.6(4) . .
O8 B4 O9 Pr2 63.5(4) . .
O5 Pr2 O9 B5 -71.0(3) 4_576 .
O20 Pr2 O9 B5 111.1(2) 4_576 .
O15 Pr2 O9 B5 -11.8(2) . .
O6 Pr2 O9 B5 -174.8(3) . .
O19 Pr2 O9 B5 28.9(2) . .
O17 Pr2 O9 B5 -103.9(2) . .
O18 Pr2 O9 B5 90.3(2) . .
O1 Pr2 O9 B5 -164.5(2) . .
O7 Pr2 O9 B5 -41.8(2) 4_576 .
B3 Pr2 O9 B5 -48.3(3) 4_576 .
O5 Pr2 O9 B4 153.6(3) 4_576 .
O20 Pr2 O9 B4 -24.2(4) 4_576 .
O15 Pr2 O9 B4 -147.2(3) . .
O6 Pr2 O9 B4 49.8(3) . .
O19 Pr2 O9 B4 -106.5(3) . .
O17 Pr2 O9 B4 120.7(3) . .
O18 Pr2 O9 B4 -45.1(3) . .
O1 Pr2 O9 B4 60.1(3) . .
O7 Pr2 O9 B4 -177.1(3) 4_576 .
B5 Pr2 O9 B4 -135.4(4) . .
B3 Pr2 O9 B4 176.3(3) 4_576 .
O9 B5 O10 B6 178.4(4) . .
O15 B5 O10 B6 4.2(6) . .
Pr2 B5 O10 B6 78.6(10) . .
O9 B5 O10 Pr1 -25.2(6) . 4_475
O15 B5 O10 Pr1 160.6(3) . 4_475
Pr2 B5 O10 Pr1 -125.0(8) . 4_475
O12 B6 O10 B5 14.8(5) . .
O11 B6 O10 B5 142.8(4) 4_475 .
O21 B6 O10 B5 -102.8(4) 2_545 .
O12 B6 O10 Pr1 -148.4(3) . 4_475
O11 B6 O10 Pr1 -20.4(3) 4_475 4_475
O21 B6 O10 Pr1 93.9(3) 2_545 4_475
O16 B8 O11 B6 -22.1(7) . 4_676
O1 B8 O11 B6 158.9(4) . 4_676
O16 B8 O11 Pr1 141.4(3) . .
O1 B8 O11 Pr1 -37.6(5) . .
O3 Pr1 O11 B8 46.4(3) . .
O12 Pr1 O11 B8 -74.0(4) 1_655 .
O24 Pr1 O11 B8 -25.5(3) 2_645 .
O10 Pr1 O11 B8 -154.3(4) 4_676 .
O14 Pr1 O11 B8 -138.7(3) 1_655 .
O23 Pr1 O11 B8 -73.3(3) 2_645 .
O25 Pr1 O11 B8 130.8(3) . .
O16 Pr1 O11 B8 44.0(4) 4_575 .
O22 Pr1 O11 B8 129.6(3) 3_676 .
C16 Pr1 O11 B8 -48.1(3) 2_645 .
B7 Pr1 O11 B8 -115.7(3) 1_655 .
O3 Pr1 O11 B6 -145.6(3) . 4_676
O12 Pr1 O11 B6 94.0(3) 1_655 4_676
O24 Pr1 O11 B6 142.5(3) 2_645 4_676
O10 Pr1 O11 B6 13.7(2) 4_676 4_676
O14 Pr1 O11 B6 29.3(3) 1_655 4_676
O23 Pr1 O11 B6 94.7(3) 2_645 4_676
O25 Pr1 O11 B6 -61.2(3) . 4_676
O16 Pr1 O11 B6 -148.0(2) 4_575 4_676
O22 Pr1 O11 B6 -62.4(2) 3_676 4_676
C16 Pr1 O11 B6 119.9(3) 2_645 4_676
B7 Pr1 O11 B6 52.3(3) 1_655 4_676
O11 B6 O12 B7 -156.8(4) 4_475 .
O10 B6 O12 B7 -36.5(5) . .
O21 B6 O12 B7 81.4(4) 2_545 .
O11 B6 O12 Pr1 17.5(6) 4_475 1_455
O10 B6 O12 Pr1 137.9(3) . 1_455
O21 B6 O12 Pr1 -104.3(4) 2_545 1_455
O14 B7 O12 B6 161.4(3) . .
O15 B7 O12 B6 37.1(5) . .
O13 B7 O12 B6 -82.5(4) . .
Pr1 B7 O12 B6 176.2(4) 1_455 .
O14 B7 O12 Pr1 -14.8(3) . 1_455
O15 B7 O12 Pr1 -139.1(3) . 1_455
O13 B7 O12 Pr1 101.3(3) . 1_455
O14 B7 O13 C21 -89.9(5) . .
O12 B7 O13 C21 156.0(4) . .
O15 B7 O13 C21 34.4(5) . .
Pr1 B7 O13 C21 -148.6(3) 1_455 .
O12 B7 O14 B4 -160.6(4) . 4_576
O15 B7 O14 B4 -37.0(6) . 4_576
O13 B7 O14 B4 84.9(5) . 4_576
Pr1 B7 O14 B4 -175.0(4) 1_455 4_576
O12 B7 O14 Pr1 14.4(3) . 1_455
O15 B7 O14 Pr1 138.0(3) . 1_455
O13 B7 O14 Pr1 -100.2(3) . 1_455
O10 B5 O15 B7 -3.7(6) . .
O9 B5 O15 B7 -178.6(3) . .
Pr2 B5 O15 B7 -158.7(4) . .
O10 B5 O15 Pr2 155.0(4) . .
O9 B5 O15 Pr2 -19.9(4) . .
O14 B7 O15 B5 -135.8(4) . .
O12 B7 O15 B5 -15.7(5) . .
O13 B7 O15 B5 102.4(4) . .
Pr1 B7 O15 B5 -73.1(6) 1_455 .
O14 B7 O15 Pr2 74.5(5) . .
O12 B7 O15 Pr2 -165.3(2) . .
O13 B7 O15 Pr2 -47.2(5) . .
Pr1 B7 O15 Pr2 137.3(3) 1_455 .
O5 Pr2 O15 B5 168.6(2) 4_576 .
O20 Pr2 O15 B5 -108.2(3) 4_576 .
O6 Pr2 O15 B5 29.2(3) . .
O19 Pr2 O15 B5 -126.6(3) . .
O17 Pr2 O15 B5 95.4(2) . .
O18 Pr2 O15 B5 -49.7(2) . .
O9 Pr2 O15 B5 11.9(2) . .
O1 Pr2 O15 B5 85.7(3) . .
O7 Pr2 O15 B5 159.4(3) 4_576 .
B3 Pr2 O15 B5 166.0(3) 4_576 .
O5 Pr2 O15 B7 -37.5(4) 4_576 .
O20 Pr2 O15 B7 45.7(4) 4_576 .
O6 Pr2 O15 B7 -176.9(3) . .
O19 Pr2 O15 B7 27.3(4) . .
O17 Pr2 O15 B7 -110.7(4) . .
O18 Pr2 O15 B7 104.2(4) . .
O9 Pr2 O15 B7 165.8(4) . .
O1 Pr2 O15 B7 -120.4(4) . .
O7 Pr2 O15 B7 -46.8(4) 4_576 .
B5 Pr2 O15 B7 153.9(5) . .
B3 Pr2 O15 B7 -40.1(4) 4_576 .
O11 B8 O16 B2 179.3(4) . 4_576
O1 B8 O16 B2 -1.7(7) . 4_576
O11 B8 O16 Pr1 12.6(6) . 4_576
O1 B8 O16 Pr1 -168.5(2) . 4_576
O5 Pr2 O17 C1 98.9(4) 4_576 .
O20 Pr2 O17 C1 53.3(4) 4_576 .
O15 Pr2 O17 C1 -147.5(4) . .
O6 Pr2 O17 C1 -28.5(4) . .
O19 Pr2 O17 C1 155.0(3) . .
O18 Pr2 O17 C1 -73.0(4) . .
O9 Pr2 O17 C1 -94.9(4) . .
O1 Pr2 O17 C1 28.1(4) . .
O7 Pr2 O17 C1 152.2(4) 4_576 .
B5 Pr2 O17 C1 -120.9(4) . .
B3 Pr2 O17 C1 125.0(4) 4_576 .
O5 Pr2 O18 C17 174.3(5) 4_576 .
O20 Pr2 O18 C17 -158.6(5) 4_576 .
O15 Pr2 O18 C17 58.0(5) . .
O6 Pr2 O18 C17 -59.5(5) . .
O19 Pr2 O18 C17 127.5(5) . .
O17 Pr2 O18 C17 -18.0(6) . .
O9 Pr2 O18 C17 6.6(5) . .
O1 Pr2 O18 C17 -102.8(5) . .
O7 Pr2 O18 C17 95.5(5) 4_576 .
B5 Pr2 O18 C17 36.1(5) . .
B3 Pr2 O18 C17 133.2(5) 4_576 .
O5 Pr2 O19 C21 129.8(4) 4_576 .
O20 Pr2 O19 C21 -157.9(5) 4_576 .
O15 Pr2 O19 C21 9.1(4) . .
O6 Pr2 O19 C21 -97.2(5) . .
O17 Pr2 O19 C21 74.2(5) . .
O18 Pr2 O19 C21 -78.9(4) . .
O9 Pr2 O19 C21 -24.8(5) . .
O1 Pr2 O19 C21 171.3(4) . .
O7 Pr2 O19 C21 77.0(4) 4_576 .
B5 Pr2 O19 C21 -12.1(4) . .
B3 Pr2 O19 C21 104.8(5) 4_576 .
Pr2 O17 C1 O2 5.9(7) . .
Pr2 O17 C1 C2 -175.1(3) . .
B1 O2 C1 O17 -8.8(6) . .
B1 O2 C1 C2 172.1(3) . .
O17 C1 C2 C3 -153.9(5) . .
O2 C1 C2 C3 25.3(6) . .
O17 C1 C2 C7 27.6(7) . .
O2 C1 C2 C7 -153.2(4) . .
C7 C2 C3 C4 -6.2(8) . .
C1 C2 C3 C4 175.2(5) . .
C2 C3 C4 C5 3.7(8) . .
C3 C4 C5 C6 2.1(8) . .
C3 C4 C5 C8 -175.1(5) . .
C4 C5 C6 C7 -5.1(7) . .
C8 C5 C6 C7 172.0(4) . .
C5 C6 C7 C2 2.5(7) . .
C3 C2 C7 C6 3.2(7) . .
C1 C2 C7 C6 -178.3(4) . .
Pr1 O22 C8 O21 -3.9(6) 3_676 .
Pr1 O22 C8 C5 177.0(3) 3_676 .
B6 O21 C8 O22 1.3(7) 2 .
B6 O21 C8 C5 -179.6(4) 2 .
C4 C5 C8 O22 -154.2(5) . .
C6 C5 C8 O22 28.6(7) . .
C4 C5 C8 O21 26.6(6) . .
C6 C5 C8 O21 -150.6(4) . .
Pr2 O20 C9 O4 46.3(6) 4_575 .
Pr2 O20 C9 C10 -129.4(4) 4_575 .
B2 O4 C9 O20 -4.7(6) . .
B2 O4 C9 C10 171.3(3) . .
O20 C9 C10 C15 -173.1(4) . .
O4 C9 C10 C15 10.8(6) . .
O20 C9 C10 C11 12.7(6) . .
O4 C9 C10 C11 -163.4(4) . .
C15 C10 C11 C12 -4.8(8) . .
C9 C10 C11 C12 169.5(5) . .
C10 C11 C12 C13 2.1(8) . .
C11 C12 C13 C14 2.8(8) . .
C11 C12 C13 C16 -172.8(5) . .
C12 C13 C14 C15 -4.9(8) . .
C16 C13 C14 C15 170.8(5) . .
C13 C14 C15 C10 2.3(8) . .
C11 C10 C15 C14 2.6(8) . .
C9 C10 C15 C14 -171.4(4) . .
Pr1 O24 C16 O23 -2.0(5) 2_655 .
Pr1 O24 C16 C13 179.9(4) 2_655 .
Pr1 O23 C16 O24 2.0(5) 2_655 .
Pr1 O23 C16 C13 -179.9(4) 2_655 .
C12 C13 C16 O24 -176.1(5) . .
C14 C13 C16 O24 8.2(7) . .
C12 C13 C16 O23 5.7(8) . .
C14 C13 C16 O23 -170.0(5) . .
C12 C13 C16 Pr1 -160(100) . 2_655
C14 C13 C16 Pr1 24(55) . 2_655
Pr2 O18 C17 O8 12.3(8) . .
Pr2 O18 C17 C18 -168.1(3) . .
B4 O8 C17 O18 -2.5(7) . .
B4 O8 C17 C18 177.9(4) . .
O18 C17 C18 C20 16.1(6) . .
O8 C17 C18 C20 -164.2(4) . .
O18 C17 C18 C19 -162.8(4) . .
O8 C17 C18 C19 16.9(6) . .
C20 C18 C19 C20 -0.1(8) . 3_565
C17 C18 C19 C20 178.8(4) . 3_565
C19 C18 C20 C19 0.1(8) . 3_565
C17 C18 C20 C19 -178.8(4) . 3_565
Pr2 O19 C21 O13 -19.0(7) . .
Pr2 O19 C21 C22 161.7(3) . .
B7 O13 C21 O19 -5.6(7) . .
B7 O13 C21 C22 173.8(4) . .
O19 C21 C22 C23 -162.0(5) . .
O13 C21 C22 C23 18.6(7) . .
O19 C21 C22 C24 17.5(7) . .
O13 C21 C22 C24 -161.9(4) . .
C24 C22 C23 C24 -0.7(10) . 3_566
C21 C22 C23 C24 178.7(5) . 3_566
C23 C22 C24 C23 0.7(10) . 3_566
C21 C22 C24 C23 -178.7(5) . 3_566
