#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:23:34 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179841 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/37/7013718.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_7013718
loop_
_publ_author_name
'John, Gordon H.'
'May, Iain'
'Sarsfield, Mark J.'
'Steele, Helen M.'
'Collison, David'
'Helliwell, Madeleine'
'McKinney, James D.'
_publ_section_title
;
 The structural and spectroscopic characterisation of three actinyl
 complexes with coordinated and uncoordinated perrhenate:
 [UO2(ReO4)2(TPPO)3], [[(UO2)(TPPO)3]2(mu2-O2)][ReO4]2 and
 [NpO2(TPPO)4][ReO4].
;
_journal_issue                   5
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              734
_journal_page_last               740
_journal_paper_doi               10.1039/b313045b
_journal_year                    2004
_chemical_formula_sum            'C72 H60 Np O10 P4 Re'
_chemical_formula_weight         1632.28
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                97.865(5)
_cell_angle_beta                 107.949(5)
_cell_angle_gamma                91.510(5)
_cell_formula_units_Z            1
_cell_length_a                   9.066(5)
_cell_length_b                   13.361(5)
_cell_length_c                   13.894(5)
_cell_measurement_reflns_used    7134
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.38
_cell_measurement_theta_min      2.35
_cell_volume                     1581.8(12)
_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-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0159
_diffrn_reflns_av_sigmaI/netI    0.0261
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            12783
_diffrn_reflns_theta_full        26.39
_diffrn_reflns_theta_max         26.39
_diffrn_reflns_theta_min         2.02
_exptl_absorpt_coefficient_mu    3.707
_exptl_absorpt_correction_T_max  0.6647
_exptl_absorpt_correction_T_min  0.5244
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            'very pale green'
_exptl_crystal_density_diffrn    1.714
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             800
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.781
_refine_diff_density_min         -1.390
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     418
_refine_ls_number_reflns         6401
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0246
_refine_ls_R_factor_gt           0.0207
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0179P)²+1.7986P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0468
_refine_ls_wR_factor_ref         0.0482
_reflns_number_gt                5725
_reflns_number_total             6401
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b313045b.txt
_cod_data_source_block           s1263abs
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7013718
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
Np1 Np 1.0000 0.0000 1.0000 0.00990(4) Uani 1 2 d S . .
P1 P 1.15146(7) 0.26560(5) 1.05033(5) 0.01225(13) Uani 1 1 d . . .
P2 P 0.75058(7) 0.03956(5) 0.73750(5) 0.01202(13) Uani 1 1 d . . .
O1 O 1.1635(2) 0.15712(13) 1.06788(13) 0.0145(4) Uani 1 1 d . . .
O2 O 0.8722(2) 0.06297(13) 0.84043(13) 0.0148(4) Uani 1 1 d . . .
O3 O 0.8557(2) 0.05293(13) 1.05343(13) 0.0153(4) Uani 1 1 d . . .
C1 C 1.1850(3) 0.27871(19) 0.93164(19) 0.0138(5) Uani 1 1 d . . .
C2 C 1.1652(3) 0.3678(2) 0.8889(2) 0.0200(6) Uani 1 1 d . . .
H2 H 1.1270 0.4228 0.9199 0.024 Uiso 1 1 calc R . .
C3 C 1.2022(3) 0.3747(2) 0.8001(2) 0.0230(6) Uani 1 1 d . . .
H3 H 1.1887 0.4341 0.7716 0.028 Uiso 1 1 calc R . .
C4 C 1.2594(3) 0.2927(2) 0.7541(2) 0.0220(6) Uani 1 1 d . . .
H4 H 1.2844 0.2975 0.6948 0.026 Uiso 1 1 calc R . .
C5 C 1.2796(3) 0.2041(2) 0.7956(2) 0.0219(6) Uani 1 1 d . . .
H5 H 1.3185 0.1495 0.7644 0.026 Uiso 1 1 calc R . .
C6 C 1.2417(3) 0.1963(2) 0.8844(2) 0.0176(5) Uani 1 1 d . . .
H6 H 1.2541 0.1363 0.9121 0.021 Uiso 1 1 calc R . .
C7 C 1.2967(3) 0.34634(19) 1.15062(19) 0.0150(5) Uani 1 1 d . . .
C8 C 1.3002(3) 0.4512(2) 1.1566(2) 0.0212(6) Uani 1 1 d . . .
H8 H 1.2245 0.4810 1.1096 0.025 Uiso 1 1 calc R . .
C9 C 1.4172(3) 0.5111(2) 1.2330(2) 0.0243(6) Uani 1 1 d . . .
H9 H 1.4206 0.5812 1.2369 0.029 Uiso 1 1 calc R . .
C10 C 1.5290(3) 0.4669(2) 1.3035(2) 0.0247(6) Uani 1 1 d . . .
H10 H 1.6069 0.5075 1.3548 0.030 Uiso 1 1 calc R . .
C11 C 1.5253(3) 0.3632(2) 1.2979(2) 0.0233(6) Uani 1 1 d . . .
H11 H 1.6002 0.3339 1.3458 0.028 Uiso 1 1 calc R . .
C12 C 1.4098(3) 0.3021(2) 1.2207(2) 0.0186(5) Uani 1 1 d . . .
H12 H 1.4085 0.2320 1.2161 0.022 Uiso 1 1 calc R . .
C13 C 0.9662(3) 0.30938(19) 1.0491(2) 0.0165(5) Uani 1 1 d . . .
C14 C 0.8407(3) 0.2948(2) 0.9598(2) 0.0219(6) Uani 1 1 d . . .
H14 H 0.8558 0.2737 0.8971 0.026 Uiso 1 1 calc R . .
C15 C 0.6922(4) 0.3119(2) 0.9642(3) 0.0329(7) Uani 1 1 d . . .
H15 H 0.6083 0.3031 0.9042 0.040 Uiso 1 1 calc R . .
C16 C 0.6689(4) 0.3417(2) 1.0573(3) 0.0357(8) Uani 1 1 d . . .
H16 H 0.5690 0.3519 1.0598 0.043 Uiso 1 1 calc R . .
C17 C 0.7930(4) 0.3564(2) 1.1464(3) 0.0319(7) Uani 1 1 d . . .
H17 H 0.7768 0.3767 1.2089 0.038 Uiso 1 1 calc R . .
C18 C 0.9417(3) 0.3407(2) 1.1428(2) 0.0228(6) Uani 1 1 d . . .
H18 H 1.0255 0.3511 1.2029 0.027 Uiso 1 1 calc R . .
C19 C 0.8116(3) -0.04832(19) 0.64942(19) 0.0142(5) Uani 1 1 d . . .
C20 C 0.8144(3) -0.0253(2) 0.55503(19) 0.0175(5) Uani 1 1 d . . .
H20 H 0.7829 0.0366 0.5356 0.021 Uiso 1 1 calc R . .
C21 C 0.8642(3) -0.0949(2) 0.4901(2) 0.0196(6) Uani 1 1 d . . .
H21 H 0.8659 -0.0797 0.4271 0.024 Uiso 1 1 calc R . .
C22 C 0.9111(3) -0.1865(2) 0.5189(2) 0.0202(6) Uani 1 1 d . . .
H22 H 0.9446 -0.2330 0.4753 0.024 Uiso 1 1 calc R . .
C23 C 0.9087(3) -0.2100(2) 0.6129(2) 0.0212(6) Uani 1 1 d . . .
H23 H 0.9402 -0.2721 0.6319 0.025 Uiso 1 1 calc R . .
C24 C 0.8595(3) -0.1410(2) 0.6783(2) 0.0189(6) Uani 1 1 d . . .
H24 H 0.8584 -0.1565 0.7413 0.023 Uiso 1 1 calc R . .
C25 C 0.5743(3) -0.01633(18) 0.74610(19) 0.0130(5) Uani 1 1 d . . .
C26 C 0.4651(3) -0.07389(19) 0.66150(19) 0.0168(5) Uani 1 1 d . . .
H26 H 0.4836 -0.0846 0.5988 0.020 Uiso 1 1 calc R . .
C27 C 0.3287(3) -0.1152(2) 0.6709(2) 0.0207(6) Uani 1 1 d . . .
H27 H 0.2551 -0.1526 0.6143 0.025 Uiso 1 1 calc R . .
C28 C 0.3030(3) -0.1004(2) 0.7650(2) 0.0204(6) Uani 1 1 d . . .
H28 H 0.2118 -0.1280 0.7713 0.024 Uiso 1 1 calc R . .
C29 C 0.4119(3) -0.0450(2) 0.8494(2) 0.0191(6) Uani 1 1 d . . .
H29 H 0.3946 -0.0363 0.9125 0.023 Uiso 1 1 calc R . .
C30 C 0.5469(3) -0.0024(2) 0.84015(19) 0.0157(5) Uani 1 1 d . . .
H30 H 0.6195 0.0356 0.8969 0.019 Uiso 1 1 calc R . .
C31 C 0.7065(3) 0.15149(19) 0.67885(18) 0.0133(5) Uani 1 1 d . . .
C32 C 0.5559(3) 0.1692(2) 0.62190(19) 0.0165(5) Uani 1 1 d . . .
H32 H 0.4730 0.1242 0.6170 0.020 Uiso 1 1 calc R . .
C33 C 0.5296(3) 0.2537(2) 0.5726(2) 0.0197(6) Uani 1 1 d . . .
H33 H 0.4291 0.2649 0.5344 0.024 Uiso 1 1 calc R . .
C34 C 0.6522(3) 0.3212(2) 0.5801(2) 0.0206(6) Uani 1 1 d . . .
H34 H 0.6341 0.3775 0.5465 0.025 Uiso 1 1 calc R . .
C35 C 0.8020(3) 0.3054(2) 0.6375(2) 0.0205(6) Uani 1 1 d . . .
H35 H 0.8840 0.3515 0.6434 0.025 Uiso 1 1 calc R . .
C36 C 0.8297(3) 0.2204(2) 0.6863(2) 0.0177(5) Uani 1 1 d . . .
H36 H 0.9305 0.2094 0.7241 0.021 Uiso 1 1 calc R . .
Re1 Re 1.0000 0.5000 0.5000 0.02786(5) Uani 1 2 d S . .
O4 O 1.1668(5) 0.4725(3) 0.4663(4) 0.0360(11) Uani 0.50 1 d P . .
O5 O 0.8801(5) 0.3762(3) 0.4515(3) 0.0249(9) Uani 0.50 1 d P . .
O6 O 1.0302(6) 0.5237(3) 0.6223(3) 0.0376(11) Uani 0.50 1 d P . .
O7 O 0.8964(5) 0.5810(3) 0.4277(3) 0.0278(9) Uani 0.50 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'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Np Np -11.4937 4.1493 '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
O3 Np1 O3 180.00(10) . 2_757 ?
O3 Np1 O1 90.35(8) . 2_757 ?
O3 Np1 O1 89.65(8) 2_757 2_757 ?
O3 Np1 O1 89.65(8) . . ?
O3 Np1 O1 90.35(8) 2_757 . ?
O1 Np1 O1 180.00(5) 2_757 . ?
O3 Np1 O2 89.80(7) . . ?
O3 Np1 O2 90.20(7) 2_757 . ?
O1 Np1 O2 88.72(6) 2_757 . ?
O1 Np1 O2 91.28(6) . . ?
O3 Np1 O2 90.20(7) . 2_757 ?
O3 Np1 O2 89.80(7) 2_757 2_757 ?
O1 Np1 O2 91.28(6) 2_757 2_757 ?
O1 Np1 O2 88.72(6) . 2_757 ?
O2 Np1 O2 180.00(5) . 2_757 ?
O1 P1 C13 111.78(11) . . ?
O1 P1 C7 110.34(11) . . ?
C13 P1 C7 107.36(13) . . ?
O1 P1 C1 109.72(11) . . ?
C13 P1 C1 109.95(12) . . ?
C7 P1 C1 107.58(12) . . ?
O2 P2 C25 111.55(11) . . ?
O2 P2 C31 111.42(11) . . ?
C25 P2 C31 108.40(12) . . ?
O2 P2 C19 112.28(11) . . ?
C25 P2 C19 106.61(12) . . ?
C31 P2 C19 106.28(12) . . ?
P1 O1 Np1 135.84(10) . . ?
P2 O2 Np1 145.33(10) . . ?
C2 C1 C6 119.6(2) . . ?
C2 C1 P1 123.2(2) . . ?
C6 C1 P1 117.08(19) . . ?
C3 C2 C1 120.2(3) . . ?
C3 C2 H2 119.9 . . ?
C1 C2 H2 119.9 . . ?
C4 C3 C2 119.8(3) . . ?
C4 C3 H3 120.1 . . ?
C2 C3 H3 120.1 . . ?
C5 C4 C3 120.6(3) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
C4 C5 C6 119.9(3) . . ?
C4 C5 H5 120.0 . . ?
C6 C5 H5 120.0 . . ?
C5 C6 C1 119.8(3) . . ?
C5 C6 H6 120.1 . . ?
C1 C6 H6 120.1 . . ?
C12 C7 C8 120.1(2) . . ?
C12 C7 P1 118.7(2) . . ?
C8 C7 P1 121.2(2) . . ?
C9 C8 C7 119.6(3) . . ?
C9 C8 H8 120.2 . . ?
C7 C8 H8 120.2 . . ?
C10 C9 C8 120.3(3) . . ?
C10 C9 H9 119.9 . . ?
C8 C9 H9 119.9 . . ?
C11 C10 C9 120.2(3) . . ?
C11 C10 H10 119.9 . . ?
C9 C10 H10 119.9 . . ?
C10 C11 C12 120.1(3) . . ?
C10 C11 H11 119.9 . . ?
C12 C11 H11 119.9 . . ?
C7 C12 C11 119.7(3) . . ?
C7 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C14 C13 C18 119.5(3) . . ?
C14 C13 P1 121.0(2) . . ?
C18 C13 P1 118.3(2) . . ?
C13 C14 C15 119.9(3) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 120.2(3) . . ?
C16 C15 H15 119.9 . . ?
C14 C15 H15 119.9 . . ?
C17 C16 C15 120.3(3) . . ?
C17 C16 H16 119.8 . . ?
C15 C16 H16 119.8 . . ?
C16 C17 C18 119.9(3) . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
C17 C18 C13 120.2(3) . . ?
C17 C18 H18 119.9 . . ?
C13 C18 H18 119.9 . . ?
C24 C19 C20 119.8(2) . . ?
C24 C19 P2 118.28(19) . . ?
C20 C19 P2 121.9(2) . . ?
C21 C20 C19 119.9(3) . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C22 C21 C20 120.1(2) . . ?
C22 C21 H21 120.0 . . ?
C20 C21 H21 120.0 . . ?
C21 C22 C23 120.4(2) . . ?
C21 C22 H22 119.8 . . ?
C23 C22 H22 119.8 . . ?
C24 C23 C22 120.0(3) . . ?
C24 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C23 C24 C19 119.9(2) . . ?
C23 C24 H24 120.1 . . ?
C19 C24 H24 120.1 . . ?
C30 C25 C26 119.5(2) . . ?
C30 C25 P2 118.76(19) . . ?
C26 C25 P2 121.71(19) . . ?
C27 C26 C25 120.1(2) . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 119.7(2) . . ?
C28 C27 H27 120.2 . . ?
C26 C27 H27 120.2 . . ?
C29 C28 C27 120.5(3) . . ?
C29 C28 H28 119.7 . . ?
C27 C28 H28 119.7 . . ?
C28 C29 C30 120.0(2) . . ?
C28 C29 H29 120.0 . . ?
C30 C29 H29 120.0 . . ?
C29 C30 C25 120.2(2) . . ?
C29 C30 H30 119.9 . . ?
C25 C30 H30 119.9 . . ?
C32 C31 C36 119.1(2) . . ?
C32 C31 P2 122.5(2) . . ?
C36 C31 P2 118.23(19) . . ?
C33 C32 C31 120.2(2) . . ?
C33 C32 H32 119.9 . . ?
C31 C32 H32 119.9 . . ?
C34 C33 C32 120.2(3) . . ?
C34 C33 H33 119.9 . . ?
C32 C33 H33 119.9 . . ?
C33 C34 C35 120.2(3) . . ?
C33 C34 H34 119.9 . . ?
C35 C34 H34 119.9 . . ?
C34 C35 C36 120.0(3) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 120.2(2) . . ?
C35 C36 H36 119.9 . . ?
C31 C36 H36 119.9 . . ?
O6 Re1 O6 180.000(1) . 2_766 ?
O6 Re1 O7 62.6(2) . 2_766 ?
O6 Re1 O7 117.4(2) 2_766 2_766 ?
O6 Re1 O7 117.4(2) . . ?
O6 Re1 O7 62.6(2) 2_766 . ?
O7 Re1 O7 180.000(1) 2_766 . ?
O6 Re1 O4 66.0(2) . 2_766 ?
O6 Re1 O4 114.0(2) 2_766 2_766 ?
O7 Re1 O4 110.9(2) 2_766 2_766 ?
O7 Re1 O4 69.1(2) . 2_766 ?
O6 Re1 O4 114.0(2) . . ?
O6 Re1 O4 66.0(2) 2_766 . ?
O7 Re1 O4 69.1(2) 2_766 . ?
O7 Re1 O4 110.9(2) . . ?
O4 Re1 O4 180.000(1) 2_766 . ?
O6 Re1 O5 107.3(2) . . ?
O6 Re1 O5 72.7(2) 2_766 . ?
O7 Re1 O5 76.05(18) 2_766 . ?
O7 Re1 O5 103.95(19) . . ?
O4 Re1 O5 78.62(19) 2_766 . ?
O4 Re1 O5 101.38(19) . . ?
O6 Re1 O5 72.7(2) . 2_766 ?
O6 Re1 O5 107.3(2) 2_766 2_766 ?
O7 Re1 O5 103.95(18) 2_766 2_766 ?
O7 Re1 O5 76.05(18) . 2_766 ?
O4 Re1 O5 101.38(19) 2_766 2_766 ?
O4 Re1 O5 78.62(19) . 2_766 ?
O5 Re1 O5 180.000(1) . 2_766 ?
Re1 O6 O7 60.5(2) . 2_766 ?
Re1 O7 O6 56.89(19) . 2_766 ?
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
Np1 O3 1.8071(18) . ?
Np1 O3 1.8071(18) 2_757 ?
Np1 O1 2.4345(18) 2_757 ?
Np1 O1 2.4345(18) . ?
Np1 O2 2.4380(18) . ?
Np1 O2 2.4380(18) 2_757 ?
P1 O1 1.5037(19) . ?
P1 C13 1.789(3) . ?
P1 C7 1.795(3) . ?
P1 C1 1.797(3) . ?
P2 O2 1.4989(18) . ?
P2 C25 1.791(3) . ?
P2 C31 1.796(3) . ?
P2 C19 1.800(3) . ?
C1 C2 1.393(4) . ?
C1 C6 1.395(4) . ?
C2 C3 1.388(4) . ?
C2 H2 0.9300 . ?
C3 C4 1.385(4) . ?
C3 H3 0.9300 . ?
C4 C5 1.379(4) . ?
C4 H4 0.9300 . ?
C5 C6 1.395(4) . ?
C5 H5 0.9300 . ?
C6 H6 0.9300 . ?
C7 C12 1.387(4) . ?
C7 C8 1.392(4) . ?
C8 C9 1.386(4) . ?
C8 H8 0.9300 . ?
C9 C10 1.382(4) . ?
C9 H9 0.9300 . ?
C10 C11 1.376(4) . ?
C10 H10 0.9300 . ?
C11 C12 1.391(4) . ?
C11 H11 0.9300 . ?
C12 H12 0.9300 . ?
C13 C14 1.387(4) . ?
C13 C18 1.398(4) . ?
C14 C15 1.389(4) . ?
C14 H14 0.9300 . ?
C15 C16 1.382(5) . ?
C15 H15 0.9300 . ?
C16 C17 1.379(5) . ?
C16 H16 0.9300 . ?
C17 C18 1.385(4) . ?
C17 H17 0.9300 . ?
C18 H18 0.9300 . ?
C19 C24 1.393(4) . ?
C19 C20 1.395(4) . ?
C20 C21 1.388(4) . ?
C20 H20 0.9300 . ?
C21 C22 1.377(4) . ?
C21 H21 0.9300 . ?
C22 C23 1.390(4) . ?
C22 H22 0.9300 . ?
C23 C24 1.384(4) . ?
C23 H23 0.9300 . ?
C24 H24 0.9300 . ?
C25 C30 1.392(3) . ?
C25 C26 1.396(3) . ?
C26 C27 1.391(4) . ?
C26 H26 0.9300 . ?
C27 C28 1.386(4) . ?
C27 H27 0.9300 . ?
C28 C29 1.382(4) . ?
C28 H28 0.9300 . ?
C29 C30 1.385(4) . ?
C29 H29 0.9300 . ?
C30 H30 0.9300 . ?
C31 C32 1.396(4) . ?
C31 C36 1.398(4) . ?
C32 C33 1.388(4) . ?
C32 H32 0.9300 . ?
C33 C34 1.382(4) . ?
C33 H33 0.9300 . ?
C34 C35 1.386(4) . ?
C34 H34 0.9300 . ?
C35 C36 1.389(4) . ?
C35 H35 0.9300 . ?
C36 H36 0.9300 . ?
Re1 O6 1.620(4) . ?
Re1 O6 1.620(4) 2_766 ?
Re1 O7 1.683(4) 2_766 ?
Re1 O7 1.683(4) . ?
Re1 O4 1.749(4) 2_766 ?
Re1 O4 1.749(4) . ?
Re1 O5 1.876(4) . ?
Re1 O5 1.876(4) 2_766 ?
O6 O7 1.717(6) 2_766 ?
O7 O6 1.717(6) 2_766 ?
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
C13 P1 O1 Np1 46.43(18) . . . . ?
C7 P1 O1 Np1 165.82(13) . . . . ?
C1 P1 O1 Np1 -75.82(17) . . . . ?
O3 Np1 O1 P1 -63.98(15) . . . . ?
O3 Np1 O1 P1 116.02(15) 2_757 . . . ?
O1 Np1 O1 P1 21(100) 2_757 . . . ?
O2 Np1 O1 P1 25.81(15) . . . . ?
O2 Np1 O1 P1 -154.19(15) 2_757 . . . ?
C25 P2 O2 Np1 44.8(2) . . . . ?
C31 P2 O2 Np1 166.14(16) . . . . ?
C19 P2 O2 Np1 -74.8(2) . . . . ?
O3 Np1 O2 P2 -89.71(19) . . . . ?
O3 Np1 O2 P2 90.29(19) 2_757 . . . ?
O1 Np1 O2 P2 0.64(18) 2_757 . . . ?
O1 Np1 O2 P2 -179.36(18) . . . . ?
O2 Np1 O2 P2 -127(100) 2_757 . . . ?
O1 P1 C1 C2 172.8(2) . . . . ?
C13 P1 C1 C2 49.5(3) . . . . ?
C7 P1 C1 C2 -67.1(3) . . . . ?
O1 P1 C1 C6 -10.7(2) . . . . ?
C13 P1 C1 C6 -134.0(2) . . . . ?
C7 P1 C1 C6 109.4(2) . . . . ?
C6 C1 C2 C3 -0.3(4) . . . . ?
P1 C1 C2 C3 176.1(2) . . . . ?
C1 C2 C3 C4 -0.1(4) . . . . ?
C2 C3 C4 C5 0.2(4) . . . . ?
C3 C4 C5 C6 0.3(4) . . . . ?
C4 C5 C6 C1 -0.7(4) . . . . ?
C2 C1 C6 C5 0.7(4) . . . . ?
P1 C1 C6 C5 -175.9(2) . . . . ?
O1 P1 C7 C12 8.2(2) . . . . ?
C13 P1 C7 C12 130.2(2) . . . . ?
C1 P1 C7 C12 -111.5(2) . . . . ?
O1 P1 C7 C8 -174.0(2) . . . . ?
C13 P1 C7 C8 -52.0(2) . . . . ?
C1 P1 C7 C8 66.3(2) . . . . ?
C12 C7 C8 C9 -0.1(4) . . . . ?
P1 C7 C8 C9 -177.8(2) . . . . ?
C7 C8 C9 C10 -0.6(4) . . . . ?
C8 C9 C10 C11 0.3(4) . . . . ?
C9 C10 C11 C12 0.6(4) . . . . ?
C8 C7 C12 C11 1.0(4) . . . . ?
P1 C7 C12 C11 178.8(2) . . . . ?
C10 C11 C12 C7 -1.2(4) . . . . ?
O1 P1 C13 C14 -86.6(2) . . . . ?
C7 P1 C13 C14 152.3(2) . . . . ?
C1 P1 C13 C14 35.5(3) . . . . ?
O1 P1 C13 C18 81.2(2) . . . . ?
C7 P1 C13 C18 -40.0(2) . . . . ?
C1 P1 C13 C18 -156.7(2) . . . . ?
C18 C13 C14 C15 0.3(4) . . . . ?
P1 C13 C14 C15 167.9(2) . . . . ?
C13 C14 C15 C16 -1.0(4) . . . . ?
C14 C15 C16 C17 1.0(5) . . . . ?
C15 C16 C17 C18 -0.3(5) . . . . ?
C16 C17 C18 C13 -0.5(4) . . . . ?
C14 C13 C18 C17 0.5(4) . . . . ?
P1 C13 C18 C17 -167.5(2) . . . . ?
O2 P2 C19 C24 55.3(2) . . . . ?
C25 P2 C19 C24 -67.2(2) . . . . ?
C31 P2 C19 C24 177.3(2) . . . . ?
O2 P2 C19 C20 -123.7(2) . . . . ?
C25 P2 C19 C20 113.9(2) . . . . ?
C31 P2 C19 C20 -1.6(2) . . . . ?
C24 C19 C20 C21 0.2(4) . . . . ?
P2 C19 C20 C21 179.2(2) . . . . ?
C19 C20 C21 C22 -0.1(4) . . . . ?
C20 C21 C22 C23 0.1(4) . . . . ?
C21 C22 C23 C24 -0.2(4) . . . . ?
C22 C23 C24 C19 0.4(4) . . . . ?
C20 C19 C24 C23 -0.4(4) . . . . ?
P2 C19 C24 C23 -179.3(2) . . . . ?
O2 P2 C25 C30 20.7(2) . . . . ?
C31 P2 C25 C30 -102.3(2) . . . . ?
C19 P2 C25 C30 143.6(2) . . . . ?
O2 P2 C25 C26 -158.7(2) . . . . ?
C31 P2 C25 C26 78.3(2) . . . . ?
C19 P2 C25 C26 -35.8(2) . . . . ?
C30 C25 C26 C27 1.3(4) . . . . ?
P2 C25 C26 C27 -179.3(2) . . . . ?
C25 C26 C27 C28 -1.1(4) . . . . ?
C26 C27 C28 C29 -0.1(4) . . . . ?
C27 C28 C29 C30 1.0(4) . . . . ?
C28 C29 C30 C25 -0.8(4) . . . . ?
C26 C25 C30 C29 -0.3(4) . . . . ?
P2 C25 C30 C29 -179.7(2) . . . . ?
O2 P2 C31 C32 -141.8(2) . . . . ?
C25 P2 C31 C32 -18.7(2) . . . . ?
C19 P2 C31 C32 95.6(2) . . . . ?
O2 P2 C31 C36 41.8(2) . . . . ?
C25 P2 C31 C36 164.88(19) . . . . ?
C19 P2 C31 C36 -80.8(2) . . . . ?
C36 C31 C32 C33 0.6(4) . . . . ?
P2 C31 C32 C33 -175.8(2) . . . . ?
C31 C32 C33 C34 -0.4(4) . . . . ?
C32 C33 C34 C35 -0.5(4) . . . . ?
C33 C34 C35 C36 1.1(4) . . . . ?
C34 C35 C36 C31 -0.9(4) . . . . ?
C32 C31 C36 C35 0.0(4) . . . . ?
P2 C31 C36 C35 176.6(2) . . . . ?
O6 Re1 O6 O7 -43(100) 2_766 . . 2_766 ?
O7 Re1 O6 O7 180.000(2) . . . 2_766 ?
O4 Re1 O6 O7 132.1(3) 2_766 . . 2_766 ?
O4 Re1 O6 O7 -47.9(3) . . . 2_766 ?
O5 Re1 O6 O7 63.5(2) . . . 2_766 ?
O5 Re1 O6 O7 -116.5(2) 2_766 . . 2_766 ?
O6 Re1 O7 O6 180.000(2) . . . 2_766 ?
O7 Re1 O7 O6 -115(100) 2_766 . . 2_766 ?
O4 Re1 O7 O6 -133.5(3) 2_766 . . 2_766 ?
O4 Re1 O7 O6 46.5(3) . . . 2_766 ?
O5 Re1 O7 O6 -61.7(3) . . . 2_766 ?
O5 Re1 O7 O6 118.3(3) 2_766 . . 2_766 ?
