#------------------------------------------------------------------------------
#$Date: 2016-03-21 16:59:14 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178763 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/17/4101706.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_4101706
loop_
_publ_author_name
'Kaufhold, Oliver'
'Stasch, Andreas'
'Pape, Tania'
'Hepp, Alexander'
'Edwards, Peter G.'
'Newman, Paul D.'
'Hahn, F. Ekkehardt'
_publ_section_title
;
 Metal template controlled formation of [11]ane-P2C(NHC) macrocycles.
;
_journal_issue                   1
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              306
_journal_page_last               317
_journal_paper_doi               10.1021/ja807333f
_journal_volume                  131
_journal_year                    2009
_chemical_formula_sum            'C43 H34 Cl4 F4 N4 O6 P2 Re2'
_chemical_formula_weight         1354.88
_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                91.16(3)
_cell_angle_beta                 103.05(3)
_cell_angle_gamma                104.05(3)
_cell_formula_units_Z            2
_cell_length_a                   11.465(2)
_cell_length_b                   11.577(2)
_cell_length_c                   18.720(4)
_cell_measurement_temperature    150(2)
_cell_volume                     2340.7(9)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Nonius Kappa CCD'
_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  0.0277
_diffrn_reflns_av_sigmaI/netI    0.0483
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            16690
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         2.92
_exptl_absorpt_coefficient_mu    5.531
_exptl_absorpt_correction_T_max  0.762
_exptl_absorpt_correction_T_min  0.548
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav (Blessing, 1995)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.922
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1304
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.550
_refine_diff_density_min         -1.298
_refine_diff_density_rms         0.123
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     592
_refine_ls_number_reflns         9094
_refine_ls_number_restraints     9
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0308
_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)+(0.0000P)²+7.0948P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0625
_refine_ls_wR_factor_ref         0.0658
_reflns_number_gt                7813
_reflns_number_total             9094
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja807333f_si_008.cif
_cod_data_source_block           asPGE06
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'multi scan' changed to
'multi-scan' according to the built-in table from CIF Core dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1673 2011-04-08 12:14:43Z adriana 
;
_cod_original_cell_volume        2340.7(8)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4101706
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
Re1 Re 0.705229(16) 1.067580(16) 0.166901(10) 0.01883(6) Uani 1 1 d . . .
Cl1 Cl 0.31774(13) 0.86816(14) 0.44694(8) 0.0340(3) Uani 0.90 1 d P A 1
P1 P 0.91891(11) 1.15636(11) 0.22999(6) 0.0186(3) Uani 1 1 d . . .
F1 F 1.0195(3) 1.1276(3) 0.09880(15) 0.0386(8) Uani 1 1 d . . .
O1 O 0.4319(3) 0.9910(3) 0.0777(2) 0.0411(10) Uani 1 1 d . . .
N1 N 0.6624(3) 1.2008(4) 0.3072(2) 0.0245(9) Uani 1 1 d . . .
H1 H 0.7199 1.2652 0.3040 0.029 Uiso 1 1 calc R . .
C1 C 0.6350(4) 1.1038(4) 0.2626(3) 0.0222(10) Uani 1 1 d . . .
Re2 Re 0.321823(17) 0.663346(17) 0.404126(10) 0.02242(6) Uani 1 1 d D . .
Cl2 Cl 0.38781(11) 0.74793(11) 0.29270(7) 0.0282(3) Uani 1 1 d . A .
P2 P 0.72370(10) 1.26928(10) 0.12807(6) 0.0181(2) Uani 1 1 d . . .
F2 F 0.8702(3) 0.9980(3) 0.35203(16) 0.0377(7) Uani 1 1 d . . .
O2 O 0.7112(4) 0.8222(3) 0.2285(2) 0.0433(10) Uani 1 1 d . . .
N2 N 0.5494(4) 1.0223(4) 0.2850(2) 0.0347(11) Uani 1 1 d . . .
H2 H 0.5126 0.9519 0.2611 0.042 Uiso 1 1 calc R . .
C2 C 0.5891(5) 1.1930(5) 0.3632(3) 0.0339(13) Uani 1 1 d . . .
H2A H 0.5301 1.2440 0.3532 0.041 Uiso 1 1 calc R . .
H2B H 0.6429 1.2156 0.4133 0.041 Uiso 1 1 calc R . .
Cl3 Cl 0.88206(19) 0.74665(16) 0.11878(12) 0.0716(5) Uani 1 1 d . . .
F3 F 0.4661(2) 1.2367(3) 0.14802(16) 0.0327(7) Uani 1 1 d . . .
O3 O 0.7807(4) 0.9747(3) 0.0317(2) 0.0390(9) Uani 1 1 d . . .
N3 N 0.5776(5) 0.8203(5) 0.4924(3) 0.0520(14) Uani 1 1 d . . .
H3 H 0.5432 0.8797 0.4962 0.062 Uiso 1 1 calc R A .
C3 C 0.5224(6) 1.0614(5) 0.3532(3) 0.0467(16) Uani 1 1 d . . .
H3A H 0.5555 1.0182 0.3950 0.056 Uiso 1 1 calc R . .
H3B H 0.4323 1.0495 0.3478 0.056 Uiso 1 1 calc R . .
Cl4 Cl 0.75247(18) 0.6258(2) -0.02583(10) 0.0740(6) Uani 1 1 d . . .
F4 F 0.8207(2) 1.2273(3) -0.00435(15) 0.0312(7) Uani 1 1 d . . .
O4 O 0.3356(4) 0.4190(5) 0.3547(3) 0.0430(12) Uani 0.90 1 d PD A 1
N4 N 0.5959(4) 0.6498(5) 0.4622(3) 0.0603(16) Uani 1 1 d . . .
H4 H 0.5750 0.5733 0.4475 0.072 Uiso 1 1 calc R A .
C4 C 0.5319(5) 1.0166(4) 0.1110(3) 0.0266(11) Uani 1 1 d . . .
O5 O 0.2562(4) 0.5507(3) 0.5407(2) 0.0401(9) Uani 1 1 d . . .
C5 C 0.7093(4) 0.9116(5) 0.2051(3) 0.0286(11) Uani 1 1 d . . .
O6 O 0.0447(3) 0.6166(4) 0.3227(2) 0.0442(10) Uani 1 1 d . . .
C6 C 0.7564(4) 1.0156(4) 0.0809(3) 0.0272(11) Uani 1 1 d . . .
C7 C 0.9737(4) 1.2983(4) 0.1926(2) 0.0197(10) Uani 1 1 d . . .
C8 C 0.8876(4) 1.3457(4) 0.1446(2) 0.0218(10) Uani 1 1 d . . .
C9 C 0.9287(4) 1.4506(4) 0.1124(3) 0.0275(11) Uani 1 1 d . . .
H9 H 0.8712 1.4817 0.0786 0.033 Uiso 1 1 calc R . .
C10 C 1.0534(4) 1.5097(5) 0.1297(3) 0.0334(13) Uani 1 1 d . . .
H10 H 1.0807 1.5816 0.1079 0.040 Uiso 1 1 calc R . .
C11 C 1.1384(4) 1.4648(5) 0.1785(3) 0.0299(12) Uani 1 1 d . . .
H11 H 1.2235 1.5063 0.1907 0.036 Uiso 1 1 calc R . .
C12 C 1.0987(4) 1.3589(4) 0.2093(3) 0.0249(11) Uani 1 1 d . . .
H12 H 1.1571 1.3273 0.2422 0.030 Uiso 1 1 calc R . .
C13 C 1.0364(4) 1.0779(4) 0.2220(3) 0.0228(10) Uani 1 1 d . . .
C14 C 1.0729(5) 1.0724(5) 0.1563(3) 0.0293(12) Uani 1 1 d . . .
C15 C 1.1599(5) 1.0151(5) 0.1453(3) 0.0396(14) Uani 1 1 d . . .
H15 H 1.1831 1.0152 0.0997 0.048 Uiso 1 1 calc R . .
C16 C 1.2123(5) 0.9577(5) 0.2027(3) 0.0431(15) Uani 1 1 d . . .
H16 H 1.2735 0.9181 0.1969 0.052 Uiso 1 1 calc R . .
C18 C 1.0918(4) 1.0184(4) 0.2785(3) 0.0271(11) Uani 1 1 d . . .
H18 H 1.0705 1.0202 0.3246 0.033 Uiso 1 1 calc R . .
C19 C 0.9479(4) 1.1991(4) 0.3287(3) 0.0227(10) Uani 1 1 d . . .
C20 C 0.9126(4) 1.1158(5) 0.3770(3) 0.0267(11) Uani 1 1 d . . .
C21 C 0.9167(5) 1.1457(6) 0.4497(3) 0.0373(13) Uani 1 1 d . . .
H21 H 0.8942 1.0856 0.4814 0.045 Uiso 1 1 calc R . .
C22 C 0.9540(5) 1.2646(6) 0.4750(3) 0.0406(14) Uani 1 1 d . . .
H22 H 0.9558 1.2872 0.5243 0.049 Uiso 1 1 calc R . .
C23 C 0.9887(5) 1.3509(5) 0.4288(3) 0.0341(13) Uani 1 1 d . . .
H23 H 1.0148 1.4327 0.4465 0.041 Uiso 1 1 calc R . .
C24 C 0.9856(4) 1.3185(5) 0.3570(3) 0.0267(11) Uani 1 1 d . . .
H24 H 1.0098 1.3791 0.3258 0.032 Uiso 1 1 calc R . .
C25 C 0.6650(4) 1.3701(4) 0.1791(2) 0.0206(10) Uani 1 1 d . . .
C26 C 0.5422(4) 1.3397(4) 0.1845(3) 0.0258(11) Uani 1 1 d . . .
C27 C 0.4938(5) 1.4080(5) 0.2254(3) 0.0345(13) Uani 1 1 d . . .
H27 H 0.4090 1.3848 0.2267 0.041 Uiso 1 1 calc R . .
C28 C 0.5713(6) 1.5107(5) 0.2643(3) 0.0383(14) Uani 1 1 d . . .
H28 H 0.5395 1.5589 0.2928 0.046 Uiso 1 1 calc R . .
C29 C 0.6954(5) 1.5448(5) 0.2624(3) 0.0360(13) Uani 1 1 d . . .
H29 H 0.7485 1.6154 0.2899 0.043 Uiso 1 1 calc R . .
C30 C 0.7413(5) 1.4748(4) 0.2198(3) 0.0268(11) Uani 1 1 d . . .
H30 H 0.8261 1.4984 0.2184 0.032 Uiso 1 1 calc R . .
C31 C 0.6610(4) 1.2926(4) 0.0316(2) 0.0193(10) Uani 1 1 d . . .
C32 C 0.7167(4) 1.2681(4) -0.0233(3) 0.0214(10) Uani 1 1 d . . .
C33 C 0.6730(4) 1.2831(4) -0.0959(3) 0.0251(11) Uani 1 1 d . . .
H33 H 0.7154 1.2666 -0.1315 0.030 Uiso 1 1 calc R . .
C34 C 0.5666(4) 1.3224(5) -0.1170(3) 0.0294(12) Uani 1 1 d . . .
H34 H 0.5346 1.3324 -0.1673 0.035 Uiso 1 1 calc R . .
C35 C 0.5069(5) 1.3470(5) -0.0641(3) 0.0355(13) Uani 1 1 d . . .
H35 H 0.4331 1.3730 -0.0782 0.043 Uiso 1 1 calc R . .
C36 C 0.5546(4) 1.3338(5) 0.0096(3) 0.0282(11) Uani 1 1 d . . .
H36 H 0.5141 1.3531 0.0455 0.034 Uiso 1 1 calc R . .
C37 C 0.5164(4) 0.7140(4) 0.4567(3) 0.0275(11) Uani 1 1 d . A .
C38 C 0.7251(5) 0.7171(6) 0.4956(4) 0.063(2) Uani 1 1 d . A .
H38A H 0.7654 0.6740 0.5350 0.075 Uiso 1 1 calc R . .
H38B H 0.7746 0.7320 0.4581 0.075 Uiso 1 1 calc R . .
C39 C 0.7096(6) 0.8269(7) 0.5249(5) 0.079(3) Uani 1 1 d . A .
H39A H 0.7643 0.8971 0.5095 0.094 Uiso 1 1 calc R . .
H39B H 0.7272 0.8311 0.5793 0.094 Uiso 1 1 calc R . .
C40 C 0.3338(5) 0.5025(5) 0.3705(3) 0.0198(14) Uani 0.90 1 d PD A 1
C41 C 0.2800(4) 0.5956(5) 0.4891(3) 0.0293(12) Uani 1 1 d . A .
C42 C 0.1471(5) 0.6327(5) 0.3516(3) 0.0294(12) Uani 1 1 d . A .
C43 C 0.8838(7) 0.7415(6) 0.0274(5) 0.086(3) Uani 1 1 d . . .
H43A H 0.9619 0.7247 0.0216 0.103 Uiso 1 1 calc R . .
H43B H 0.8802 0.8200 0.0083 0.103 Uiso 1 1 calc R . .
C17 C 1.1771(5) 0.9568(5) 0.2691(3) 0.0381(13) Uani 1 1 d . . .
H17 H 1.2114 0.9141 0.3077 0.046 Uiso 1 1 calc R . .
Cl1A Cl 0.3653(5) 0.4784(5) 0.3548(3) 0.018(4) Uani 0.10 1 d PRDU A 2
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'
F F 0.0171 0.0103 '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'
Cl Cl 0.1484 0.1585 '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'
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
C6 Re1 C5 88.5(2) . . ?
C6 Re1 C4 89.2(2) . . ?
C5 Re1 C4 95.0(2) . . ?
C6 Re1 C1 173.19(19) . . ?
C5 Re1 C1 86.03(19) . . ?
C4 Re1 C1 87.23(19) . . ?
C6 Re1 P1 91.07(15) . . ?
C5 Re1 P1 92.60(15) . . ?
C4 Re1 P1 172.40(14) . . ?
C1 Re1 P1 93.22(12) . . ?
C6 Re1 P2 92.07(14) . . ?
C5 Re1 P2 173.58(14) . . ?
C4 Re1 P2 91.41(14) . . ?
C1 Re1 P2 93.82(13) . . ?
P1 Re1 P2 80.99(5) . . ?
C7 P1 C13 102.4(2) . . ?
C7 P1 C19 102.8(2) . . ?
C13 P1 C19 105.2(2) . . ?
C7 P1 Re1 109.31(15) . . ?
C13 P1 Re1 118.90(16) . . ?
C19 P1 Re1 116.22(15) . . ?
C1 N1 C2 114.6(4) . . ?
N1 C1 N2 107.1(4) . . ?
N1 C1 Re1 130.6(3) . . ?
N2 C1 Re1 122.3(4) . . ?
C41 Re2 C42 92.2(2) . . ?
C41 Re2 C40 88.0(2) . . ?
C42 Re2 C40 92.7(2) . . ?
C41 Re2 C37 92.4(2) . . ?
C42 Re2 C37 174.15(19) . . ?
C40 Re2 C37 91.1(2) . . ?
C41 Re2 Cl1 93.09(16) . . ?
C42 Re2 Cl1 89.78(15) . . ?
C40 Re2 Cl1 177.26(16) . . ?
C37 Re2 Cl1 86.30(14) . . ?
C41 Re2 Cl2 176.67(15) . . ?
C42 Re2 Cl2 90.48(15) . . ?
C40 Re2 Cl2 89.88(16) . . ?
C37 Re2 Cl2 85.12(14) . . ?
Cl1 Re2 Cl2 88.95(5) . . ?
C41 Re2 Cl1A 94.9(2) . . ?
C42 Re2 Cl1A 97.97(19) . . ?
C40 Re2 Cl1A 8.9(2) . . ?
C37 Re2 Cl1A 85.31(18) . . ?
Cl1 Re2 Cl1A 168.64(13) . . ?
Cl2 Re2 Cl1A 82.73(13) . . ?
C8 P2 C25 102.2(2) . . ?
C8 P2 C31 103.7(2) . . ?
C25 P2 C31 103.0(2) . . ?
C8 P2 Re1 108.65(16) . . ?
C25 P2 Re1 117.02(15) . . ?
C31 P2 Re1 120.10(15) . . ?
C1 N2 C3 113.6(4) . . ?
N1 C2 C3 101.2(4) . . ?
C37 N3 C39 112.4(5) . . ?
N2 C3 C2 102.3(4) . . ?
C37 N4 C38 113.8(5) . . ?
O1 C4 Re1 177.6(4) . . ?
O2 C5 Re1 178.5(5) . . ?
O3 C6 Re1 173.7(4) . . ?
C12 C7 C8 119.6(4) . . ?
C12 C7 P1 121.7(3) . . ?
C8 C7 P1 118.7(3) . . ?
C9 C8 C7 119.5(4) . . ?
C9 C8 P2 121.9(4) . . ?
C7 C8 P2 118.6(3) . . ?
C10 C9 C8 120.2(4) . . ?
C11 C10 C9 120.5(5) . . ?
C10 C11 C12 119.7(4) . . ?
C11 C12 C7 120.6(4) . . ?
C14 C13 C18 116.1(4) . . ?
C14 C13 P1 120.4(4) . . ?
C18 C13 P1 123.5(4) . . ?
F1 C14 C15 117.5(4) . . ?
F1 C14 C13 118.3(4) . . ?
C15 C14 C13 124.3(5) . . ?
C16 C15 C14 117.6(5) . . ?
C15 C16 C17 120.9(5) . . ?
C17 C18 C13 121.5(5) . . ?
C20 C19 C24 115.9(4) . . ?
C20 C19 P1 121.1(4) . . ?
C24 C19 P1 122.1(4) . . ?
F2 C20 C21 117.7(5) . . ?
F2 C20 C19 118.8(4) . . ?
C21 C20 C19 123.4(5) . . ?
C22 C21 C20 118.5(5) . . ?
C21 C22 C23 120.2(5) . . ?
C24 C23 C22 120.1(5) . . ?
C23 C24 C19 121.8(5) . . ?
C26 C25 C30 116.4(4) . . ?
C26 C25 P2 120.5(4) . . ?
C30 C25 P2 122.8(3) . . ?
F3 C26 C27 118.1(4) . . ?
F3 C26 C25 118.4(4) . . ?
C27 C26 C25 123.6(5) . . ?
C28 C27 C26 118.4(5) . . ?
C27 C28 C29 120.8(5) . . ?
C28 C29 C30 119.5(5) . . ?
C29 C30 C25 121.2(5) . . ?
C32 C31 C36 116.6(4) . . ?
C32 C31 P2 121.2(3) . . ?
C36 C31 P2 122.2(3) . . ?
F4 C32 C33 118.1(4) . . ?
F4 C32 C31 118.6(4) . . ?
C33 C32 C31 123.4(4) . . ?
C32 C33 C34 119.4(4) . . ?
C33 C34 C35 119.3(5) . . ?
C34 C35 C36 120.3(5) . . ?
C35 C36 C31 121.0(5) . . ?
N4 C37 N3 106.7(5) . . ?
N4 C37 Re2 128.3(4) . . ?
N3 C37 Re2 125.0(4) . . ?
C39 C38 N4 102.5(5) . . ?
C38 C39 N3 103.1(6) . . ?
O4 C40 Re2 176.6(6) . . ?
O5 C41 Re2 177.5(5) . . ?
O6 C42 Re2 178.0(5) . . ?
Cl3 C43 Cl4 110.8(4) . . ?
C18 C17 C16 119.5(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
Re1 C6 1.964(5) . ?
Re1 C5 1.963(5) . ?
Re1 C4 1.965(5) . ?
Re1 C1 2.194(5) . ?
Re1 P1 2.4239(15) . ?
Re1 P2 2.4339(13) . ?
Cl1 Re2 2.5020(17) . ?
P1 C7 1.824(5) . ?
P1 C13 1.828(5) . ?
P1 C19 1.837(5) . ?
F1 C14 1.365(5) . ?
O1 C4 1.138(6) . ?
N1 C1 1.316(6) . ?
N1 C2 1.475(6) . ?
C1 N2 1.335(6) . ?
Re2 C41 1.895(5) . ?
Re2 C42 1.964(5) . ?
Re2 C40 2.000(6) . ?
Re2 C37 2.154(5) . ?
Re2 Cl2 2.5135(13) . ?
Re2 Cl1A 2.515(5) . ?
P2 C8 1.824(5) . ?
P2 C25 1.832(5) . ?
P2 C31 1.838(5) . ?
F2 C20 1.365(6) . ?
O2 C5 1.136(6) . ?
N2 C3 1.467(7) . ?
C2 C3 1.517(8) . ?
Cl3 C43 1.716(9) . ?
F3 C26 1.357(6) . ?
O3 C6 1.147(6) . ?
N3 C37 1.337(7) . ?
N3 C39 1.481(8) . ?
Cl4 C43 1.828(9) . ?
F4 C32 1.363(5) . ?
O4 C40 1.011(7) . ?
N4 C37 1.298(7) . ?
N4 C38 1.481(7) . ?
O5 C41 1.159(6) . ?
O6 C42 1.144(6) . ?
C7 C12 1.394(6) . ?
C7 C8 1.402(6) . ?
C8 C9 1.392(6) . ?
C9 C10 1.388(7) . ?
C10 C11 1.384(7) . ?
C11 C12 1.386(7) . ?
C13 C14 1.390(7) . ?
C13 C18 1.391(6) . ?
C14 C15 1.374(7) . ?
C15 C16 1.373(7) . ?
C16 C17 1.391(8) . ?
C18 C17 1.381(7) . ?
C19 C20 1.386(7) . ?
C19 C24 1.399(7) . ?
C20 C21 1.385(7) . ?
C21 C22 1.378(8) . ?
C22 C23 1.378(8) . ?
C23 C24 1.379(7) . ?
C25 C26 1.393(6) . ?
C25 C30 1.400(7) . ?
C26 C27 1.379(7) . ?
C27 C28 1.375(8) . ?
C28 C29 1.391(8) . ?
C29 C30 1.393(7) . ?
C31 C32 1.385(6) . ?
C31 C36 1.396(6) . ?
C32 C33 1.369(6) . ?
C33 C34 1.383(7) . ?
C34 C35 1.386(7) . ?
C35 C36 1.390(7) . ?
C38 C39 1.440(10) . ?
