#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:35:19 +0100 (vie 25 de mar de 2016) $
#$Revision: 179852 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/48/7014844.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_7014844
loop_
_publ_author_name
'Wu, Yinglan'
'Morton, Scott'
'Kong, Xiangjian'
'Nichol, Gary S.'
'Zheng, Zhiping'
_publ_section_title
;
 Hydrolytic synthesis and structural characterization of
 lanthanide-acetylacetonato/hydroxo cluster complexes--a systematic
 study.
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1041
_journal_page_last               1046
_journal_paper_doi               10.1039/c0dt01218a
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety         'C13 H21 O7 Pr'
_chemical_formula_sum            'C13 H21 O7 Pr'
_chemical_formula_weight         430.21
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                72.367(2)
_cell_angle_beta                 87.269(2)
_cell_angle_gamma                76.238(3)
_cell_formula_units_Z            2
_cell_length_a                   6.9046(11)
_cell_length_b                   10.4942(17)
_cell_length_c                   12.242(2)
_cell_measurement_reflns_used    5395
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      33.99
_cell_measurement_theta_min      2.29
_cell_volume                     820.8(2)
_computing_cell_refinement       'SAINT (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 1999)'
_computing_publication_material  'SHELXTL and local programs'
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SIR2004 (Burla et al., 2005)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.976
_diffrn_measured_fraction_theta_max 0.784
_diffrn_measurement_device_type  'Bruker Kappa APEXII DUO CCD diffractometer'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube with Miracol optics'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0169
_diffrn_reflns_av_sigmaI/netI    0.0322
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -3
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7987
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         33.99
_diffrn_reflns_theta_min         1.75
_exptl_absorpt_coefficient_mu    2.995
_exptl_absorpt_correction_T_max  0.8671
_exptl_absorpt_correction_T_min  0.3626
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'SADABS; Sheldrick, 1996'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.741
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             428
_exptl_crystal_size_max          0.43
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         2.233
_refine_diff_density_min         -1.108
_refine_diff_density_rms         0.139
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     196
_refine_ls_number_reflns         5241
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0301
_refine_ls_R_factor_gt           0.0260
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0409P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0639
_refine_ls_wR_factor_ref         0.0661
_reflns_number_gt                4813
_reflns_number_total             5241
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            C0DT01218A.TXT
_cod_data_source_block           Pr2
_cod_database_code               7014844
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Pr1 Pr 0.243491(17) 0.039048(12) 0.384677(9) 0.01052(4) Uani 1 1 d . . .
O1 O 0.0826(3) 0.17118(19) 0.19754(15) 0.0187(3) Uani 1 1 d . . .
O2 O 0.3149(3) -0.09644(19) 0.25456(15) 0.0176(3) Uani 1 1 d . . .
O3 O 0.0625(3) 0.27089(18) 0.39343(15) 0.0159(3) Uani 1 1 d . . .
O4 O 0.4361(3) 0.19982(19) 0.28788(16) 0.0187(3) Uani 1 1 d . . .
O5 O 0.6153(2) -0.06536(18) 0.42668(14) 0.0136(3) Uani 1 1 d . . .
O6 O 0.9083(2) -0.01540(17) 0.41159(14) 0.0136(3) Uani 1 1 d . . .
O7 O 0.2850(3) -0.21183(18) 0.50276(15) 0.0176(3) Uani 1 1 d . . .
H7O H 0.1790 -0.2339 0.5289 0.021 Uiso 1 1 calc R . .
C1 C 0.0485(5) 0.3010(3) 0.0017(2) 0.0299(6) Uani 1 1 d . . .
H1A H -0.0930 0.3392 0.0114 0.045 Uiso 1 1 calc R . .
H1B H 0.0659 0.2834 -0.0728 0.045 Uiso 1 1 calc R . .
H1C H 0.1262 0.3667 0.0051 0.045 Uiso 1 1 calc R . .
C2 C 0.1199(4) 0.1679(3) 0.0962(2) 0.0189(5) Uani 1 1 d . . .
C3 C 0.2219(4) 0.0497(3) 0.0670(2) 0.0221(5) Uani 1 1 d . . .
H3 H 0.2342 0.0561 -0.0120 0.026 Uiso 1 1 calc R . .
C4 C 0.3056(4) -0.0755(3) 0.1469(2) 0.0183(5) Uani 1 1 d . . .
C5 C 0.3939(5) -0.1984(3) 0.1057(3) 0.0280(6) Uani 1 1 d . . .
H5A H 0.5275 -0.2426 0.1404 0.042 Uiso 1 1 calc R . .
H5B H 0.4030 -0.1682 0.0221 0.042 Uiso 1 1 calc R . .
H5C H 0.3087 -0.2641 0.1281 0.042 Uiso 1 1 calc R . .
C6 C -0.0868(5) 0.5099(3) 0.3492(3) 0.0259(6) Uani 1 1 d . . .
H6A H -0.2033 0.5150 0.3040 0.039 Uiso 1 1 calc R . .
H6B H -0.0432 0.5962 0.3204 0.039 Uiso 1 1 calc R . .
H6C H -0.1223 0.4952 0.4298 0.039 Uiso 1 1 calc R . .
C7 C 0.0811(4) 0.3914(3) 0.3390(2) 0.0176(4) Uani 1 1 d . . .
C8 C 0.2406(4) 0.4237(3) 0.2697(2) 0.0207(5) Uani 1 1 d . . .
H8 H 0.2357 0.5184 0.2339 0.025 Uiso 1 1 calc R . .
C9 C 0.4072(4) 0.3284(3) 0.2484(2) 0.0181(4) Uani 1 1 d . . .
C10 C 0.5664(5) 0.3814(3) 0.1696(3) 0.0279(6) Uani 1 1 d . . .
H10A H 0.6987 0.3326 0.2045 0.042 Uiso 1 1 calc R . .
H10B H 0.5478 0.4802 0.1582 0.042 Uiso 1 1 calc R . .
H10C H 0.5553 0.3657 0.0955 0.042 Uiso 1 1 calc R . .
C11 C 0.7666(3) -0.0439(2) 0.36809(19) 0.0124(4) Uani 1 1 d . . .
C12 C 0.7826(4) -0.0539(3) 0.2479(2) 0.0193(5) Uani 1 1 d . . .
H12A H 0.7179 -0.1253 0.2421 0.029 Uiso 1 1 calc R . .
H12B H 0.9236 -0.0775 0.2290 0.029 Uiso 1 1 calc R . .
H12C H 0.7168 0.0347 0.1941 0.029 Uiso 1 1 calc R . .
C13 C 0.4188(4) -0.3270(3) 0.4795(2) 0.0227(5) Uani 1 1 d . . .
H13A H 0.3540 -0.3578 0.4259 0.034 Uiso 1 1 calc R . .
H13B H 0.4542 -0.4021 0.5512 0.034 Uiso 1 1 calc R . .
H13C H 0.5398 -0.2999 0.4455 0.034 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
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'
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
_geom_angle_publ_flag
O1 Pr1 O2 69.93(6) . . ?
O1 Pr1 O3 71.34(6) . . ?
O1 Pr1 O4 71.92(6) . . ?
O1 Pr1 O5 126.87(6) . . ?
O1 Pr1 O5 142.83(6) . 2_656 ?
O1 Pr1 O6 78.84(6) . 1_455 ?
O1 Pr1 O6 128.21(6) . 2_656 ?
O1 Pr1 O7 131.94(6) . . ?
O1 Pr1 C11 140.47(6) . 2_656 ?
O2 Pr1 O3 141.27(6) . . ?
O2 Pr1 O4 95.40(6) . . ?
O2 Pr1 O5 79.34(6) . . ?
O2 Pr1 O5 141.96(6) . 2_656 ?
O2 Pr1 O6 88.28(6) . 1_455 ?
O2 Pr1 O6 137.28(6) . 2_656 ?
O2 Pr1 O7 72.51(6) . . ?
O2 Pr1 C11 147.42(6) . 2_656 ?
O3 Pr1 O4 71.97(6) . . ?
O3 Pr1 O5 125.47(6) . . ?
O3 Pr1 O5 74.59(5) . 2_656 ?
O3 Pr1 O6 84.82(6) . 1_455 ?
O3 Pr1 O6 71.08(5) . 2_656 ?
O3 Pr1 O7 138.80(6) . . ?
O3 Pr1 C11 70.44(6) . 2_656 ?
O4 Pr1 O5 69.03(6) . . ?
O4 Pr1 O5 83.89(6) . 2_656 ?
O4 Pr1 O6 147.12(6) . 1_455 ?
O4 Pr1 O6 125.97(6) . 2_656 ?
O4 Pr1 O7 140.99(6) . . ?
O4 Pr1 C11 104.98(6) . 2_656 ?
O5 Pr1 O5 64.84(6) . 2_656 ?
O5 Pr1 O6 143.33(6) . 1_455 ?
O5 Pr1 O6 103.85(5) . 2_656 ?
O5 Pr1 O6 112.56(5) 2_656 1_455 ?
O5 Pr1 O6 49.04(5) 2_656 2_656 ?
O5 Pr1 O7 72.28(6) . . ?
O5 Pr1 O7 84.27(6) 2_656 . ?
O5 Pr1 C11 84.50(6) . 2_656 ?
O5 Pr1 C11 24.50(6) 2_656 2_656 ?
O6 Pr1 O6 63.52(6) 1_455 2_656 ?
O6 Pr1 O7 71.09(6) 1_455 . ?
O6 Pr1 O7 68.36(5) 2_656 . ?
O6 Pr1 C11 88.06(6) 1_455 2_656 ?
O6 Pr1 C11 24.55(6) 2_656 2_656 ?
O7 Pr1 C11 75.69(6) . 2_656 ?
Pr1 O1 C2 133.82(17) . . ?
Pr1 O2 C4 137.20(17) . . ?
Pr1 O3 C7 132.36(16) . . ?
Pr1 O4 C9 136.43(17) . . ?
Pr1 O5 Pr1 115.15(6) . 2_656 ?
Pr1 O5 C11 131.65(15) . . ?
Pr1 O5 C11 94.69(13) 2_656 . ?
Pr1 O6 Pr1 116.48(6) 1_655 2_656 ?
Pr1 O6 C11 147.05(14) 1_655 . ?
Pr1 O6 C11 96.41(13) 2_656 . ?
Pr1 O7 H7O 115.0 . . ?
Pr1 O7 C13 125.82(15) . . ?
H7O O7 C13 109.5 . . ?
H1A C1 H1B 109.5 . . ?
H1A C1 H1C 109.5 . . ?
H1A C1 C2 109.5 . . ?
H1B C1 H1C 109.5 . . ?
H1B C1 C2 109.5 . . ?
H1C C1 C2 109.5 . . ?
O1 C2 C1 116.5(2) . . ?
O1 C2 C3 124.5(2) . . ?
C1 C2 C3 119.0(2) . . ?
C2 C3 H3 118.0 . . ?
C2 C3 C4 124.0(2) . . ?
H3 C3 C4 118.0 . . ?
O2 C4 C3 125.0(2) . . ?
O2 C4 C5 115.9(2) . . ?
C3 C4 C5 119.1(2) . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6A C6 C7 109.5 . . ?
H6B C6 H6C 109.5 . . ?
H6B C6 C7 109.5 . . ?
H6C C6 C7 109.5 . . ?
O3 C7 C6 116.6(2) . . ?
O3 C7 C8 125.9(2) . . ?
C6 C7 C8 117.5(2) . . ?
C7 C8 H8 117.1 . . ?
C7 C8 C9 125.7(2) . . ?
H8 C8 C9 117.1 . . ?
O4 C9 C8 125.3(2) . . ?
O4 C9 C10 115.8(2) . . ?
C8 C9 C10 118.9(2) . . ?
C9 C10 H10A 109.5 . . ?
C9 C10 H10B 109.5 . . ?
C9 C10 H10C 109.5 . . ?
H10A C10 H10B 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
Pr1 C11 O5 60.81(11) 2_656 . ?
Pr1 C11 O6 59.04(11) 2_656 . ?
Pr1 C11 C12 176.43(17) 2_656 . ?
O5 C11 O6 119.8(2) . . ?
O5 C11 C12 120.8(2) . . ?
O6 C11 C12 119.4(2) . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
O7 C13 H13A 109.5 . . ?
O7 C13 H13B 109.5 . . ?
O7 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Pr1 O1 2.4476(18) . ?
Pr1 O2 2.4011(17) . ?
Pr1 O3 2.4883(18) . ?
Pr1 O4 2.3929(18) . ?
Pr1 O5 2.5496(17) . ?
Pr1 O5 2.6625(16) 2_656 ?
Pr1 O6 2.4967(17) 1_455 ?
Pr1 O6 2.6230(16) 2_656 ?
Pr1 O7 2.5452(18) . ?
Pr1 C11 3.040(2) 2_656 ?
O1 C2 1.264(3) . ?
O2 C4 1.272(3) . ?
O3 C7 1.272(3) . ?
O4 C9 1.257(3) . ?
O5 Pr1 2.6625(16) 2_656 ?
O5 C11 1.265(3) . ?
O6 Pr1 2.4967(17) 1_655 ?
O6 Pr1 2.6230(16) 2_656 ?
O6 C11 1.271(3) . ?
O7 H7O 0.840 . ?
O7 C13 1.431(3) . ?
C1 H1A 0.980 . ?
C1 H1B 0.980 . ?
C1 H1C 0.980 . ?
C1 C2 1.510(4) . ?
C2 C3 1.411(4) . ?
C3 H3 0.950 . ?
C3 C4 1.389(4) . ?
C4 C5 1.509(4) . ?
C5 H5A 0.980 . ?
C5 H5B 0.980 . ?
C5 H5C 0.980 . ?
C6 H6A 0.980 . ?
C6 H6B 0.980 . ?
C6 H6C 0.980 . ?
C6 C7 1.517(4) . ?
C7 C8 1.401(4) . ?
C8 H8 0.950 . ?
C8 C9 1.405(4) . ?
C9 C10 1.521(4) . ?
C10 H10A 0.980 . ?
C10 H10B 0.980 . ?
C10 H10C 0.980 . ?
C11 Pr1 3.040(2) 2_656 ?
C11 C12 1.504(3) . ?
C12 H12A 0.980 . ?
C12 H12B 0.980 . ?
C12 H12C 0.980 . ?
C13 H13A 0.980 . ?
C13 H13B 0.980 . ?
C13 H13C 0.980 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O7 H7O O3 0.84 1.94 2.774(3) 171.2 2_556
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O2 Pr1 O1 C2 -26.4(2) . . . . ?
O3 Pr1 O1 C2 153.1(2) . . . . ?
O4 Pr1 O1 C2 76.6(2) . . . . ?
O5 Pr1 O1 C2 32.2(3) . . . . ?
O5 Pr1 O1 C2 128.5(2) 2_656 . . . ?
O6 Pr1 O1 C2 -118.7(2) 1_455 . . . ?
O6 Pr1 O1 C2 -161.5(2) 2_656 . . . ?
O7 Pr1 O1 C2 -67.1(3) . . . . ?
C11 Pr1 O1 C2 168.4(2) 2_656 . . . ?
O1 Pr1 O2 C4 16.5(2) . . . . ?
O3 Pr1 O2 C4 15.7(3) . . . . ?
O4 Pr1 O2 C4 -52.0(2) . . . . ?
O5 Pr1 O2 C4 -119.4(2) . . . . ?
O5 Pr1 O2 C4 -139.0(2) 2_656 . . . ?
O6 Pr1 O2 C4 95.3(2) 1_455 . . . ?
O6 Pr1 O2 C4 141.6(2) 2_656 . . . ?
O7 Pr1 O2 C4 166.0(2) . . . . ?
C11 Pr1 O2 C4 179.0(2) 2_656 . . . ?
O1 Pr1 O3 C7 -61.6(2) . . . . ?
O2 Pr1 O3 C7 -60.8(2) . . . . ?
O4 Pr1 O3 C7 14.9(2) . . . . ?
O5 Pr1 O3 C7 60.9(2) . . . . ?
O5 Pr1 O3 C7 103.4(2) 2_656 . . . ?
O6 Pr1 O3 C7 -141.5(2) 1_455 . . . ?
O6 Pr1 O3 C7 154.7(2) 2_656 . . . ?
O7 Pr1 O3 C7 165.2(2) . . . . ?
C11 Pr1 O3 C7 128.7(2) 2_656 . . . ?
O1 Pr1 O4 C9 60.5(2) . . . . ?
O2 Pr1 O4 C9 127.3(2) . . . . ?
O3 Pr1 O4 C9 -15.2(2) . . . . ?
O5 Pr1 O4 C9 -156.3(3) . . . . ?
O5 Pr1 O4 C9 -90.9(2) 2_656 . . . ?
O6 Pr1 O4 C9 32.1(3) 1_455 . . . ?
O6 Pr1 O4 C9 -64.1(3) 2_656 . . . ?
O7 Pr1 O4 C9 -164.0(2) . . . . ?
C11 Pr1 O4 C9 -78.3(2) 2_656 . . . ?
O1 Pr1 O5 Pr1 138.44(7) . . . 2_656 ?
O1 Pr1 O5 C11 15.8(2) . . . . ?
O2 Pr1 O5 Pr1 -166.84(8) . . . 2_656 ?
O2 Pr1 O5 C11 70.57(19) . . . . ?
O3 Pr1 O5 Pr1 45.95(9) . . . 2_656 ?
O3 Pr1 O5 C11 -76.6(2) . . . . ?
O4 Pr1 O5 Pr1 93.10(8) . . . 2_656 ?
O4 Pr1 O5 C11 -29.48(19) . . . . ?
O5 Pr1 O5 Pr1 0.0 2_656 . . 2_656 ?
O5 Pr1 O5 C11 -122.6(2) 2_656 . . . ?
O6 Pr1 O5 Pr1 -94.52(10) 1_455 . . 2_656 ?
O6 Pr1 O5 Pr1 -30.49(8) 2_656 . . 2_656 ?
O6 Pr1 O5 C11 142.89(18) 1_455 . . . ?
O6 Pr1 O5 C11 -153.08(19) 2_656 . . . ?
O7 Pr1 O5 Pr1 -91.96(7) . . . 2_656 ?
O7 Pr1 O5 C11 145.4(2) . . . . ?
C11 Pr1 O5 Pr1 -15.26(7) 2_656 . . 2_656 ?
C11 Pr1 O5 C11 -137.85(17) 2_656 . . . ?
O1 Pr1 O7 C13 74.1(2) . . . . ?
O2 Pr1 O7 C13 34.20(19) . . . . ?
O3 Pr1 O7 C13 -173.95(18) . . . . ?
O4 Pr1 O7 C13 -42.4(2) . . . . ?
O5 Pr1 O7 C13 -49.90(19) . . . . ?
O5 Pr1 O7 C13 -115.3(2) 2_656 . . . ?
O6 Pr1 O7 C13 128.5(2) 1_455 . . . ?
O6 Pr1 O7 C13 -163.3(2) 2_656 . . . ?
C11 Pr1 O7 C13 -138.6(2) 2_656 . . . ?
Pr1 O1 C2 C1 -152.7(2) . . . . ?
Pr1 O1 C2 C3 27.4(4) . . . . ?
O1 C2 C3 C4 -4.5(4) . . . . ?
C1 C2 C3 C4 175.6(3) . . . . ?
Pr1 O2 C4 C3 -7.0(4) . . . . ?
Pr1 O2 C4 C5 172.86(18) . . . . ?
C2 C3 C4 O2 -5.9(4) . . . . ?
C2 C3 C4 C5 174.2(3) . . . . ?
Pr1 O3 C7 C6 166.85(17) . . . . ?
Pr1 O3 C7 C8 -12.2(4) . . . . ?
O3 C7 C8 C9 0.1(4) . . . . ?
C6 C7 C8 C9 -179.0(3) . . . . ?
Pr1 O4 C9 C8 12.0(4) . . . . ?
Pr1 O4 C9 C10 -166.73(19) . . . . ?
C7 C8 C9 O4 0.7(4) . . . . ?
C7 C8 C9 C10 179.4(3) . . . . ?
Pr1 O5 C11 Pr1 130.07(18) . . . 2_656 ?
Pr1 O5 C11 O6 127.31(19) . . . . ?
Pr1 O5 C11 O6 -2.8(2) 2_656 . . . ?
Pr1 O5 C11 C12 -53.6(3) . . . . ?
Pr1 O5 C11 C12 176.3(2) 2_656 . . . ?
Pr1 O6 C11 Pr1 176.5(3) 1_655 . . 2_656 ?
Pr1 O6 C11 O5 179.31(17) 1_655 . . . ?
Pr1 O6 C11 O5 2.8(2) 2_656 . . . ?
Pr1 O6 C11 C12 0.2(4) 1_655 . . . ?
Pr1 O6 C11 C12 -176.26(19) 2_656 . . . ?
