#------------------------------------------------------------------------------
#$Date: 2016-03-25 16:17:58 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179962 $
#$URL: svn://www.crystallography.net/cod/cif/7/02/56/7025673.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_7025673
loop_
_publ_author_name
'Mueller, Thomas J.'
'Ziller, Joseph W.'
'Evans, William J.'
_publ_section_title
;
 Sigma bond metathesis with pentamethylcyclopentadienyl ligands in
 sterically crowded (C5Me5)3M complexes.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              6767
_journal_page_last               6773
_journal_paper_doi               10.1039/c002654a
_journal_volume                  39
_journal_year                    2010
_chemical_absolute_configuration ad
_chemical_formula_sum            'C52 H70 Pr2 S2'
_chemical_formula_weight         1041.02
_chemical_name_systematic
;
?
;
_space_group_IT_number           34
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2 -2n'
_symmetry_space_group_name_H-M   'P n n 2'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXTL
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   10.3504(6)
_cell_length_b                   11.7647(7)
_cell_length_c                   19.4542(12)
_cell_measurement_reflns_used    9960
_cell_measurement_temperature    148(2)
_cell_measurement_theta_max      28.27
_cell_measurement_theta_min      2.23
_cell_volume                     2368.9(2)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2 Version 2.2-0'
_computing_data_reduction        'Bruker SAINT Version 7.46a'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      148(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0477
_diffrn_reflns_av_sigmaI/netI    0.0407
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            25686
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    2.153
_exptl_absorpt_correction_T_max  0.7671
_exptl_absorpt_correction_T_min  0.6979
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SADABS'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.459
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.13
_refine_diff_density_max         2.663
_refine_diff_density_min         -0.492
_refine_diff_density_rms         0.128
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.028
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     264
_refine_ls_number_reflns         5403
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0434
_refine_ls_R_factor_gt           0.0334
_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)+(0.0538P)²+0.6425P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0859
_refine_ls_wR_factor_ref         0.0930
_reflns_number_gt                4399
_reflns_number_total             5403
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c002654a.txt
_cod_data_source_block           tjm35
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'none' was changed to '?' - the
value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_sg_symbol_H-M      Pnn2
_cod_database_code               7025673
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'x+1/2, -y+1/2, z+1/2'
'-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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Pr1 Pr 0.5000 0.5000 0.508226(12) 0.01697(12) Uani 1 2 d S
Pr2 Pr 0.5000 0.5000 0.247474(12) 0.01714(12) Uani 1 2 d S
S1 S 0.39132(9) 0.40818(7) 0.37740(10) 0.02366(19) Uani 1 1 d .
C1 C 0.2510(5) 0.5029(3) 0.5589(3) 0.0234(10) Uani 1 1 d .
C2 C 0.2504(4) 0.5904(4) 0.5089(2) 0.0213(9) Uani 1 1 d .
C3 C 0.3304(4) 0.6791(4) 0.5339(2) 0.0214(9) Uani 1 1 d .
C4 C 0.3792(4) 0.6457(4) 0.6001(2) 0.0248(10) Uani 1 1 d .
C5 C 0.3263(5) 0.5392(4) 0.6157(2) 0.0257(10) Uani 1 1 d .
C6 C 0.1728(5) 0.3949(4) 0.5550(3) 0.0353(11) Uani 1 1 d .
H6A H 0.2188 0.3338 0.5790 0.053 Uiso 1 1 calc R
H6B H 0.1605 0.3736 0.5067 0.053 Uiso 1 1 calc R
H6C H 0.0885 0.4070 0.5767 0.053 Uiso 1 1 calc R
C7 C 0.1668(4) 0.5971(4) 0.4465(2) 0.0278(10) Uani 1 1 d .
H7A H 0.0916 0.6452 0.4563 0.042 Uiso 1 1 calc R
H7B H 0.1376 0.5206 0.4340 0.042 Uiso 1 1 calc R
H7C H 0.2162 0.6299 0.4084 0.042 Uiso 1 1 calc R
C8 C 0.3466(5) 0.7936(4) 0.5005(2) 0.0283(10) Uani 1 1 d .
H8A H 0.3655 0.7835 0.4515 0.042 Uiso 1 1 calc R
H8B H 0.4180 0.8343 0.5225 0.042 Uiso 1 1 calc R
H8C H 0.2667 0.8375 0.5057 0.042 Uiso 1 1 calc R
C9 C 0.4514(5) 0.7246(4) 0.6470(3) 0.0330(11) Uani 1 1 d .
H9A H 0.4727 0.6848 0.6898 0.049 Uiso 1 1 calc R
H9B H 0.3975 0.7909 0.6574 0.049 Uiso 1 1 calc R
H9C H 0.5312 0.7496 0.6245 0.049 Uiso 1 1 calc R
C10 C 0.3230(6) 0.4818(4) 0.6850(3) 0.0354(12) Uani 1 1 d .
H10A H 0.4069 0.4909 0.7076 0.053 Uiso 1 1 calc R
H10B H 0.3045 0.4007 0.6789 0.053 Uiso 1 1 calc R
H10C H 0.2554 0.5164 0.7133 0.053 Uiso 1 1 calc R
C11 C 0.3187(4) 0.5901(4) 0.1569(2) 0.0239(9) Uani 1 1 d .
C12 C 0.2784(4) 0.6273(4) 0.2231(2) 0.0212(9) Uani 1 1 d .
C13 C 0.3696(4) 0.7074(4) 0.2468(2) 0.0220(9) Uani 1 1 d .
C14 C 0.4673(4) 0.7176(4) 0.1971(2) 0.0223(9) Uani 1 1 d .
C15 C 0.4358(4) 0.6487(4) 0.1406(2) 0.0219(9) Uani 1 1 d .
C16 C 0.2378(6) 0.5185(4) 0.1093(3) 0.0340(12) Uani 1 1 d .
H16A H 0.2716 0.5246 0.0624 0.051 Uiso 1 1 calc R
H16B H 0.1482 0.5454 0.1103 0.051 Uiso 1 1 calc R
H16C H 0.2409 0.4390 0.1242 0.051 Uiso 1 1 calc R
C17 C 0.1524(4) 0.5951(4) 0.2567(3) 0.0329(11) Uani 1 1 d .
H17A H 0.1673 0.5337 0.2898 0.049 Uiso 1 1 calc R
H17B H 0.0913 0.5695 0.2215 0.049 Uiso 1 1 calc R
H17C H 0.1167 0.6613 0.2807 0.049 Uiso 1 1 calc R
C18 C 0.3562(5) 0.7792(4) 0.3102(2) 0.0318(10) Uani 1 1 d .
H18A H 0.2734 0.8195 0.3090 0.048 Uiso 1 1 calc R
H18B H 0.4270 0.8345 0.3120 0.048 Uiso 1 1 calc R
H18C H 0.3596 0.7305 0.3510 0.048 Uiso 1 1 calc R
C19 C 0.5792(4) 0.8004(4) 0.2002(3) 0.0309(10) Uani 1 1 d .
H19A H 0.6496 0.7728 0.1709 0.046 Uiso 1 1 calc R
H19B H 0.6098 0.8067 0.2477 0.046 Uiso 1 1 calc R
H19C H 0.5506 0.8751 0.1840 0.046 Uiso 1 1 calc R
C20 C 0.4988(4) 0.6517(5) 0.0711(3) 0.0332(12) Uani 1 1 d .
H20A H 0.5613 0.7142 0.0695 0.050 Uiso 1 1 calc R
H20B H 0.4328 0.6633 0.0356 0.050 Uiso 1 1 calc R
H20C H 0.5435 0.5796 0.0627 0.050 Uiso 1 1 calc R
C21 C 0.2981(3) 0.2811(3) 0.3784(3) 0.0205(7) Uani 1 1 d .
C22 C 0.3458(5) 0.1826(4) 0.4091(3) 0.0356(11) Uani 1 1 d .
H22A H 0.4277 0.1840 0.4312 0.043 Uiso 1 1 calc R
C23 C 0.2755(5) 0.0836(4) 0.4078(3) 0.0410(12) Uani 1 1 d .
H23A H 0.3104 0.0167 0.4279 0.049 Uiso 1 1 calc R
C24 C 0.1554(4) 0.0798(4) 0.3775(4) 0.0417(11) Uani 1 1 d .
H24A H 0.1075 0.0109 0.3764 0.050 Uiso 1 1 calc R
C25 C 0.1066(5) 0.1761(5) 0.3495(3) 0.0468(14) Uani 1 1 d .
H25A H 0.0230 0.1745 0.3294 0.056 Uiso 1 1 calc R
C26 C 0.1764(4) 0.2775(4) 0.3495(3) 0.0336(11) Uani 1 1 d .
H26A H 0.1403 0.3441 0.3297 0.040 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'
S S 0.1246 0.1234 '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
Cnt1 Pr1 S1 102.8 . .
Cnt1 Pr1 S1 120.7 . 2_665
Cnt1 Pr1 Cnt1 129.2 . 2_665
Cnt2 Pr2 S1 115.7 . .
Cnt2 Pr2 S1 106.7 . 2_665
Cnt2 Pr2 Cnt2 129.9 . 2_665
C1 Pr1 C1 138.1(2) 2_665 .
C1 Pr1 C4 101.44(14) 2_665 .
C1 Pr1 C4 48.79(13) . .
C1 Pr1 C4 48.79(13) 2_665 2_665
C1 Pr1 C4 101.44(14) . 2_665
C4 Pr1 C4 99.8(2) . 2_665
C1 Pr1 C3 122.25(12) 2_665 .
C1 Pr1 C3 48.58(12) . .
C4 Pr1 C3 29.97(13) . .
C4 Pr1 C3 129.46(14) 2_665 .
C1 Pr1 C3 48.58(12) 2_665 2_665
C1 Pr1 C3 122.25(12) . 2_665
C4 Pr1 C3 129.46(14) . 2_665
C4 Pr1 C3 29.97(13) 2_665 2_665
C3 Pr1 C3 159.37(19) . 2_665
C1 Pr1 C2 150.06(13) 2_665 .
C1 Pr1 C2 29.54(12) . .
C4 Pr1 C2 49.07(14) . .
C4 Pr1 C2 130.46(13) 2_665 .
C3 Pr1 C2 29.43(12) . .
C3 Pr1 C2 150.37(12) 2_665 .
C1 Pr1 C2 29.54(12) 2_665 2_665
C1 Pr1 C2 150.06(13) . 2_665
C4 Pr1 C2 130.46(13) . 2_665
C4 Pr1 C2 49.07(14) 2_665 2_665
C3 Pr1 C2 150.37(12) . 2_665
C3 Pr1 C2 29.43(12) 2_665 2_665
C2 Pr1 C2 179.45(18) . 2_665
C1 Pr1 C5 29.56(14) 2_665 2_665
C1 Pr1 C5 109.59(15) . 2_665
C4 Pr1 C5 84.83(14) . 2_665
C4 Pr1 C5 29.13(14) 2_665 2_665
C3 Pr1 C5 113.31(14) . 2_665
C3 Pr1 C5 48.43(14) 2_665 2_665
C2 Pr1 C5 130.83(14) . 2_665
C2 Pr1 C5 48.62(14) 2_665 2_665
C1 Pr1 C5 109.59(15) 2_665 .
C1 Pr1 C5 29.56(14) . .
C4 Pr1 C5 29.13(14) . .
C4 Pr1 C5 84.83(14) 2_665 .
C3 Pr1 C5 48.43(14) . .
C3 Pr1 C5 113.31(14) 2_665 .
C2 Pr1 C5 48.62(14) . .
C2 Pr1 C5 130.83(14) 2_665 .
C5 Pr1 C5 83.2(2) 2_665 .
C1 Pr1 S1 130.70(10) 2_665 .
C1 Pr1 S1 87.55(10) . .
C4 Pr1 S1 127.09(10) . .
C4 Pr1 S1 119.70(10) 2_665 .
C3 Pr1 S1 100.89(9) . .
C3 Pr1 S1 96.69(10) 2_665 .
C2 Pr1 S1 78.08(9) . .
C2 Pr1 S1 102.40(9) 2_665 .
C5 Pr1 S1 145.11(10) 2_665 .
C5 Pr1 S1 117.07(11) . .
C1 Pr1 S1 87.55(10) 2_665 2_665
C1 Pr1 S1 130.70(10) . 2_665
C4 Pr1 S1 119.70(10) . 2_665
C4 Pr1 S1 127.09(10) 2_665 2_665
C3 Pr1 S1 96.69(10) . 2_665
C3 Pr1 S1 100.89(9) 2_665 2_665
C2 Pr1 S1 102.40(9) . 2_665
C2 Pr1 S1 78.08(9) 2_665 2_665
C5 Pr1 S1 117.07(11) 2_665 2_665
C5 Pr1 S1 145.11(10) . 2_665
S1 Pr1 S1 63.00(5) . 2_665
C14 Pr2 C14 138.45(19) 2_665 .
C14 Pr2 C12 122.70(13) 2_665 .
C14 Pr2 C12 48.62(13) . .
C14 Pr2 C12 48.62(13) 2_665 2_665
C14 Pr2 C12 122.70(13) . 2_665
C12 Pr2 C12 160.39(19) . 2_665
C14 Pr2 C11 102.18(14) 2_665 .
C14 Pr2 C11 48.69(14) . .
C12 Pr2 C11 29.66(13) . .
C12 Pr2 C11 130.79(14) 2_665 .
C14 Pr2 C11 48.69(14) 2_665 2_665
C14 Pr2 C11 102.18(14) . 2_665
C12 Pr2 C11 130.79(14) . 2_665
C12 Pr2 C11 29.66(13) 2_665 2_665
C11 Pr2 C11 101.44(19) . 2_665
C14 Pr2 C13 29.30(13) 2_665 2_665
C14 Pr2 C13 150.33(13) . 2_665
C12 Pr2 C13 150.47(12) . 2_665
C12 Pr2 C13 29.35(12) 2_665 2_665
C11 Pr2 C13 131.04(13) . 2_665
C11 Pr2 C13 48.53(13) 2_665 2_665
C14 Pr2 C13 150.33(13) 2_665 .
C14 Pr2 C13 29.30(13) . .
C12 Pr2 C13 29.35(12) . .
C12 Pr2 C13 150.47(12) 2_665 .
C11 Pr2 C13 48.53(13) . .
C11 Pr2 C13 131.04(13) 2_665 .
C13 Pr2 C13 179.49(18) 2_665 .
C14 Pr2 C15 29.27(13) 2_665 2_665
C14 Pr2 C15 110.19(14) . 2_665
C12 Pr2 C15 113.98(13) . 2_665
C12 Pr2 C15 48.73(13) 2_665 2_665
C11 Pr2 C15 85.85(13) . 2_665
C11 Pr2 C15 29.67(13) 2_665 2_665
C13 Pr2 C15 48.28(13) 2_665 2_665
C13 Pr2 C15 131.21(13) . 2_665
C14 Pr2 C15 110.19(14) 2_665 .
C14 Pr2 C15 29.27(13) . .
C12 Pr2 C15 48.73(13) . .
C12 Pr2 C15 113.98(13) 2_665 .
C11 Pr2 C15 29.67(13) . .
C11 Pr2 C15 85.85(13) 2_665 .
C13 Pr2 C15 131.21(13) 2_665 .
C13 Pr2 C15 48.28(13) . .
C15 Pr2 C15 83.96(18) 2_665 .
C14 Pr2 S1 126.33(10) 2_665 2_665
C14 Pr2 S1 90.64(10) . 2_665
C12 Pr2 S1 105.16(9) . 2_665
C12 Pr2 S1 91.63(10) 2_665 2_665
C11 Pr2 S1 130.97(10) . 2_665
C11 Pr2 S1 114.96(9) 2_665 2_665
C13 Pr2 S1 97.97(9) 2_665 2_665
C13 Pr2 S1 82.47(9) . 2_665
C15 Pr2 S1 140.35(10) 2_665 2_665
C15 Pr2 S1 119.69(9) . 2_665
C14 Pr2 S1 90.64(10) 2_665 .
C14 Pr2 S1 126.33(10) . .
C12 Pr2 S1 91.63(10) . .
C12 Pr2 S1 105.16(9) 2_665 .
C11 Pr2 S1 114.96(9) . .
C11 Pr2 S1 130.97(10) 2_665 .
C13 Pr2 S1 82.47(9) 2_665 .
C13 Pr2 S1 97.97(9) . .
C15 Pr2 S1 119.69(9) 2_665 .
C15 Pr2 S1 140.35(10) . .
S1 Pr2 S1 63.35(5) 2_665 .
C21 S1 Pr2 121.36(18) . .
C21 S1 Pr1 119.92(18) . .
Pr2 S1 Pr1 116.83(3) . .
C2 C1 C5 108.6(4) . .
C2 C1 C6 125.1(5) . .
C5 C1 C6 126.0(4) . .
C2 C1 Pr1 76.6(3) . .
C5 C1 Pr1 76.6(3) . .
C6 C1 Pr1 118.2(3) . .
C1 C2 C3 107.3(4) . .
C1 C2 C7 126.8(4) . .
C3 C2 C7 125.3(4) . .
C1 C2 Pr1 73.9(3) . .
C3 C2 Pr1 75.0(2) . .
C7 C2 Pr1 123.5(3) . .
C2 C3 C4 108.1(4) . .
C2 C3 C8 125.2(4) . .
C4 C3 C8 126.3(4) . .
C2 C3 Pr1 75.5(2) . .
C4 C3 Pr1 74.5(2) . .
C8 C3 Pr1 121.9(3) . .
C5 C4 C3 107.6(4) . .
C5 C4 C9 128.0(4) . .
C3 C4 C9 123.4(4) . .
C5 C4 Pr1 76.3(2) . .
C3 C4 Pr1 75.6(2) . .
C9 C4 Pr1 123.4(3) . .
C4 C5 C1 108.4(4) . .
C4 C5 C10 127.2(5) . .
C1 C5 C10 123.3(5) . .
C4 C5 Pr1 74.5(2) . .
C1 C5 Pr1 73.8(3) . .
C10 C5 Pr1 127.5(3) . .
C12 C11 C15 107.5(4) . .
C12 C11 C16 124.4(4) . .
C15 C11 C16 127.2(4) . .
C12 C11 Pr2 75.0(2) . .
C15 C11 Pr2 75.7(2) . .
C16 C11 Pr2 123.5(3) . .
C13 C12 C11 107.8(4) . .
C13 C12 C17 127.2(4) . .
C11 C12 C17 124.7(4) . .
C13 C12 Pr2 75.7(2) . .
C11 C12 Pr2 75.3(2) . .
C17 C12 Pr2 120.3(3) . .
C14 C13 C12 108.3(4) . .
C14 C13 C18 125.7(4) . .
C12 C13 C18 125.7(4) . .
C14 C13 Pr2 74.3(2) . .
C12 C13 Pr2 75.0(2) . .
C18 C13 Pr2 122.2(3) . .
C13 C14 C15 108.8(4) . .
C13 C14 C19 125.3(4) . .
C15 C14 C19 125.4(4) . .
C13 C14 Pr2 76.4(2) . .
C15 C14 Pr2 76.8(2) . .
C19 C14 Pr2 119.2(3) . .
C14 C15 C11 107.5(4) . .
C14 C15 C20 126.2(4) . .
C11 C15 C20 125.4(4) . .
C14 C15 Pr2 74.0(2) . .
C11 C15 Pr2 74.6(2) . .
C20 C15 Pr2 125.5(3) . .
C26 C21 C22 118.2(4) . .
C26 C21 S1 121.0(3) . .
C22 C21 S1 120.7(3) . .
C23 C22 C21 120.6(4) . .
C22 C23 C24 120.9(5) . .
C25 C24 C23 118.8(4) . .
C24 C25 C26 121.5(5) . .
C21 C26 C25 119.9(4) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Pr1 Cnt1 2.507 .
Pr2 Cnt2 2.509 .
Pr1 C1 2.760(5) 2_665
Pr1 C1 2.760(5) .
Pr1 C4 2.774(4) .
Pr1 C4 2.774(4) 2_665
Pr1 C3 2.788(4) .
Pr1 C3 2.788(4) 2_665
Pr1 C2 2.794(4) .
Pr1 C2 2.794(4) 2_665
Pr1 C5 2.797(4) 2_665
Pr1 C5 2.797(4) .
Pr1 S1 2.9849(17) .
Pr1 S1 2.9849(17) 2_665
Pr2 C14 2.762(4) 2_665
Pr2 C14 2.762(4) .
Pr2 C12 2.780(4) .
Pr2 C12 2.780(4) 2_665
Pr2 C11 2.784(4) .
Pr2 C11 2.784(4) 2_665
Pr2 C13 2.789(4) 2_665
Pr2 C13 2.789(4) .
Pr2 C15 2.797(4) 2_665
Pr2 C15 2.797(4) .
Pr2 S1 2.9700(18) 2_665
Pr2 S1 2.9700(18) .
S1 C21 1.780(3) .
C1 C2 1.417(6) .
C1 C5 1.418(7) .
C1 C6 1.509(6) .
C2 C3 1.418(6) .
C2 C7 1.492(6) .
C3 C4 1.438(7) .
C3 C8 1.504(6) .
C4 C5 1.401(7) .
C4 C9 1.502(7) .
C5 C10 1.507(7) .
C11 C12 1.424(6) .
C11 C15 1.429(6) .
C11 C16 1.506(7) .
C12 C13 1.411(6) .
C12 C17 1.507(6) .
C13 C14 1.404(6) .
C13 C18 1.501(6) .
C14 C15 1.405(6) .
C14 C19 1.515(6) .
C15 C20 1.502(6) .
C21 C26 1.380(6) .
C21 C22 1.394(6) .
C22 C23 1.374(7) .
C23 C24 1.377(7) .
C24 C25 1.354(7) .
C25 C26 1.396(6) .
