#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/65/4326583.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_4326583
loop_
_publ_author_name
'Nicholas E. Travia'
'Zhenggang Xu'
'Jason M. Keith'
'Elon A. Ison'
'Phillip E. Fanwick'
'Michael B. Hall'
'Mahdi M. Abu-Omar'
_publ_contact_author_address
;    Department of Chemistry
     Purdue University
     560 Oval Dr.
     W. Lafayette
     IN 47907-2084
     USA
;
_publ_contact_author_email       pfanwick@purdue.edu
_publ_contact_author_fax         1(765)4940239
_publ_contact_author_name        'Phillip E. Fanwick'
_publ_contact_author_phone       1(765)4944572
_publ_section_title
;
 Observation of Inductive Effects That Cause a Change in the
 Rate-Determining Step for the Conversion of Rhenium Azides to Imido
 Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              10505
_journal_page_last               10514
_journal_paper_doi               10.1021/ic2017853
_journal_volume                  50
_journal_year                    2011
_chemical_formula_moiety         'C25 H23 N3 O6 Re1,F6 P1'
_chemical_formula_sum            'C25 H23 F6 N3 O6 P Re'
_chemical_formula_weight         792.64
_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_type_scat_source
'International Tables for Crystallography (Vol C)'
_audit_creation_date             26-01-07
_audit_creation_method           'SHELXL and local programs'
_cell_angle_alpha                95.522(3)
_cell_angle_beta                 91.505(4)
_cell_angle_gamma                102.398(4)
_cell_formula_units_Z            2
_cell_length_a                   6.8991(3)
_cell_length_b                   13.1725(9)
_cell_length_c                   15.8952(12)
_cell_measurement_reflns_used    15990
_cell_measurement_temperature    150
_cell_measurement_theta_max      27
_cell_measurement_theta_min      3
_cell_volume                     1402.66(16)
_computing_cell_refinement       'DENZO/SCALEPACK (Otwinowski & Minor, 1996)'
_computing_data_collection       'Collect (Nonius, 1998)'
_computing_data_reduction        'DENZO/SCALEPACK (Otwinowski & Minor, 1996)'
_computing_molecular_graphics
;
    ORTEP (Johnson, 1976)
    PLATON (Spek, 1997)
;
_computing_publication_material  'SHELX97(Sheldrick, 1997) and local programs'
_computing_structure_refinement  'SHELX97 (Sheldrick, 1997)'
_computing_structure_solution
;
 PATTY (DIRDIF99, Beurskins, 1999)
;
_diffrn_ambient_temperature      150
_diffrn_measured_fraction_theta_max 0.8756
_diffrn_measurement_device_type  Nonius_KappaCCD
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'graphite 002'
_diffrn_radiation_type           MO-K\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.046
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            15990
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    4.528
_exptl_absorpt_correction_T_max  0.7284
_exptl_absorpt_correction_T_min  0.6917
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SCALEPACK (Otwinowski & Minor, 1997)'
_exptl_crystal_colour_modifier   dark
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.877
_exptl_crystal_description       needle
_exptl_crystal_F_000             772
_exptl_crystal_size_max          0.67
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.89
_refine_diff_density_min         -1.83
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     408
_refine_ls_number_reflns         6317
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.062
_refine_ls_R_factor_gt           0.048
_refine_ls_shift/su_max          0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'1/[σ²(Fo²)+(0.0608P)²+6.8130P] where P=(Fo²+2Fc²)/3  '
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.117
_refine_ls_wR_factor_ref         0.125
_reflns_number_gt                5329
_reflns_number_total             6317
_reflns_threshold_expression     >2.0σ(I)
_cod_data_source_file            ic2017853_si_002.cif
_cod_data_source_block           NT1164
_cod_original_formula_sum        'C25 H23 F6 N3 O6 P1 Re1'
_cod_database_code               4326583
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_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
Re 0.22295(4) 0.27655(2) 0.286993(18) 0.02547(10) Uani 1 1 d .
P(1) 0.5000 0.0000 0.5000 0.0267(5) Uani 1 2 d S
P(2) -0.1867(5) 0.1261(3) 0.0015(2) 0.0293(8) Uani 0.50 1 d P
F(11) 0.3410(12) 0.0481(6) 0.5518(4) 0.087(2) Uani 1 1 d .
F(12) 0.5503(10) 0.1003(4) 0.4485(4) 0.0622(15) Uani 1 1 d .
F(13) 0.6659(10) 0.0537(6) 0.5710(5) 0.089(2) Uani 1 1 d .
F(21) -0.149(2) 0.2359(13) 0.0358(14) 0.115(7) Uani 0.50 1 d P
F(22) -0.023(4) 0.1024(19) 0.0599(15) 0.146(8) Uiso 0.50 1 d P
F(23) -0.337(4) 0.0742(16) 0.0562(12) 0.170(12) Uani 0.50 1 d P
F(24) -0.016(2) 0.1694(13) -0.0569(12) 0.103(6) Uani 0.50 1 d P
F(25) -0.357(2) 0.1538(15) -0.0583(10) 0.099(5) Uani 0.50 1 d P
F(26) -0.228(2) 0.0168(11) -0.0520(13) 0.104(6) Uani 0.50 1 d P
O(33) 0.4566(7) 0.2514(4) 0.2930(3) 0.0333(11) Uani 1 1 d .
O(114) 0.1255(7) 0.3312(4) 0.5481(3) 0.0338(11) Uani 1 1 d .
O(122) 0.3411(7) 0.4296(4) 0.3191(3) 0.0291(10) Uani 1 1 d .
O(214) 0.3197(9) 0.4064(5) 0.0535(4) 0.0457(14) Uani 1 1 d .
O(222) -0.0174(7) 0.3352(4) 0.2608(3) 0.0296(10) Uani 1 1 d .
O(341) -0.4839(9) -0.2167(5) 0.2317(5) 0.065(2) Uani 1 1 d .
N(3) 0.0738(9) 0.1497(5) 0.2639(4) 0.0338(14) Uani 1 1 d .
N(111) 0.1546(8) 0.2745(5) 0.4136(4) 0.0267(12) Uani 1 1 d .
N(211) 0.2837(9) 0.3125(5) 0.1630(4) 0.0315(13) Uani 1 1 d .
C(31) -0.0691(10) 0.0612(6) 0.2543(5) 0.0308(15) Uani 1 1 d .
C(32) -0.2691(11) 0.0639(6) 0.2564(5) 0.0338(16) Uani 1 1 d .
C(33) -0.4124(12) -0.0271(6) 0.2480(6) 0.045(2) Uani 1 1 d .
C(34) -0.3548(12) -0.1236(6) 0.2367(6) 0.042(2) Uani 1 1 d .
C(35) -0.1552(14) -0.1262(6) 0.2339(7) 0.055(3) Uani 1 1 d .
C(36) -0.0156(12) -0.0353(7) 0.2433(7) 0.054(3) Uani 1 1 d .
C(112) 0.0707(12) 0.1781(6) 0.4514(5) 0.0360(17) Uani 1 1 d .
C(113) 0.0653(13) 0.2176(6) 0.5446(5) 0.0395(18) Uani 1 1 d .
C(115) 0.1773(9) 0.3562(6) 0.4715(4) 0.0261(14) Uani 1 1 d .
C(121) 0.2466(10) 0.4631(6) 0.4618(4) 0.0278(14) Uani 1 1 d .
C(122) 0.3240(9) 0.4955(5) 0.3852(4) 0.0256(14) Uani 1 1 d .
C(123) 0.3960(11) 0.6028(6) 0.3785(5) 0.0322(16) Uani 1 1 d .
C(124) 0.3895(12) 0.6749(6) 0.4475(6) 0.0384(18) Uani 1 1 d .
C(125) 0.3128(11) 0.6436(7) 0.5235(6) 0.0401(19) Uani 1 1 d .
C(126) 0.2448(11) 0.5395(6) 0.5311(5) 0.0338(16) Uani 1 1 d .
C(212) 0.4171(12) 0.2643(7) 0.1095(5) 0.0389(18) Uani 1 1 d .
C(213) 0.4585(15) 0.3363(9) 0.0395(6) 0.053(2) Uani 1 1 d .
C(215) 0.2333(11) 0.3864(6) 0.1258(5) 0.0330(16) Uani 1 1 d .
C(221) 0.0892(10) 0.4469(6) 0.1532(4) 0.0297(15) Uani 1 1 d .
C(222) -0.0355(10) 0.4144(6) 0.2181(4) 0.0279(14) Uani 1 1 d .
C(223) -0.1946(11) 0.4642(6) 0.2345(5) 0.0312(15) Uani 1 1 d .
C(224) -0.2195(12) 0.5457(7) 0.1908(5) 0.0382(18) Uani 1 1 d .
C(225) -0.0926(13) 0.5806(7) 0.1297(5) 0.0406(18) Uani 1 1 d .
C(226) 0.0628(12) 0.5297(6) 0.1097(5) 0.0375(17) Uani 1 1 d .
C(342) -0.6904(14) -0.2192(9) 0.2353(9) 0.073(4) Uani 1 1 d .
H(32) -0.3071 0.1293 0.2636 0.041 Uiso 1 1 calc R
H(33) -0.5490 -0.0249 0.2499 0.054 Uiso 1 1 calc R
H(35) -0.1162 -0.1912 0.2254 0.066 Uiso 1 1 calc R
H(36) 0.1211 -0.0375 0.2424 0.064 Uiso 1 1 calc R
H(11A) 0.1566 0.1269 0.4436 0.043 Uiso 1 1 calc R
H(11B) -0.0643 0.1455 0.4268 0.043 Uiso 1 1 calc R
H(11C) -0.0702 0.1963 0.5651 0.047 Uiso 1 1 calc R
H(11D) 0.1584 0.1897 0.5796 0.047 Uiso 1 1 calc R
H(123) 0.4485 0.6256 0.3272 0.039 Uiso 1 1 calc R
H(124) 0.4384 0.7472 0.4428 0.046 Uiso 1 1 calc R
H(125) 0.3077 0.6942 0.5697 0.048 Uiso 1 1 calc R
H(126) 0.1958 0.5180 0.5833 0.041 Uiso 1 1 calc R
H(21A) 0.3517 0.1923 0.0863 0.047 Uiso 1 1 calc R
H(21B) 0.5411 0.2626 0.1416 0.047 Uiso 1 1 calc R
H(21C) 0.5979 0.3763 0.0442 0.064 Uiso 1 1 calc R
H(21D) 0.4323 0.2959 -0.0170 0.064 Uiso 1 1 calc R
H(223) -0.2851 0.4410 0.2763 0.037 Uiso 1 1 calc R
H(224) -0.3269 0.5785 0.2030 0.046 Uiso 1 1 calc R
H(225) -0.1091 0.6386 0.1011 0.049 Uiso 1 1 calc R
H(226) 0.1495 0.5520 0.0664 0.045 Uiso 1 1 calc R
H(34A) -0.7143 -0.1766 0.2864 0.110 Uiso 1 1 calc R
H(34B) -0.7634 -0.2915 0.2369 0.110 Uiso 1 1 calc R
H(34C) -0.7358 -0.1914 0.1852 0.110 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_radius_bond
Re 1.28
P 1.06
F 0.72
O 0.73
N 0.75
C 0.77
H 0.32
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
O33 Re N3 101.7(3) . .
O33 Re O122 89.5(2) . .
N3 Re O122 168.4(2) . .
O33 Re O222 164.9(2) . .
N3 Re O222 88.8(3) . .
O122 Re O222 80.8(2) . .
O33 Re N111 99.7(2) . .
N3 Re N111 90.2(3) . .
O122 Re N111 84.9(2) . .
O222 Re N111 91.1(2) . .
O33 Re N211 86.7(2) . .
N3 Re N211 99.2(3) . .
O122 Re N211 84.3(2) . .
O222 Re N211 80.9(2) . .
N111 Re N211 167.4(2) . .
F13 P1 F13 179.9980(10) 2_656 .
F13 P1 F11 89.6(5) 2_656 2_656
F13 P1 F11 90.4(5) . 2_656
F13 P1 F11 90.4(5) 2_656 .
F13 P1 F11 89.6(5) . .
F11 P1 F11 179.998(2) 2_656 .
F13 P1 F12 89.0(3) 2_656 .
F13 P1 F12 91.0(3) . .
F11 P1 F12 89.1(3) 2_656 .
F11 P1 F12 90.9(3) . .
F13 P1 F12 91.0(3) 2_656 2_656
F13 P1 F12 89.0(3) . 2_656
F11 P1 F12 90.9(3) 2_656 2_656
F11 P1 F12 89.1(3) . 2_656
F12 P1 F12 179.997(2) . 2_656
F21 P2 F23 103.6(13) . .
F21 P2 F22 93.0(11) . .
F23 P2 F22 89.3(12) . .
F21 P2 F24 82.0(10) . .
F23 P2 F24 173.2(13) . .
F22 P2 F24 86.4(11) . .
F21 P2 F26 169.1(12) . .
F23 P2 F26 84.3(11) . .
F22 P2 F26 94.7(12) . .
F24 P2 F26 90.7(9) . .
F21 P2 F25 85.6(10) . .
F23 P2 F25 90.9(10) . .
F22 P2 F25 178.6(12) . .
F24 P2 F25 93.5(9) . .
F26 P2 F25 86.7(10) . .
C115 O114 C113 108.5(6) . .
C122 O122 Re 133.1(4) . .
C215 O214 C213 107.3(6) . .
C222 O222 Re 130.8(4) . .
C34 O341 C342 119.1(8) . .
C31 N3 Re 168.2(6) . .
C115 N111 C112 110.0(6) . .
C115 N111 Re 126.9(5) . .
C112 N111 Re 123.1(5) . .
C215 N211 C212 109.2(6) . .
C215 N211 Re 126.9(5) . .
C212 N211 Re 123.3(5) . .
N3 C31 C32 121.4(7) . .
N3 C31 C36 119.5(7) . .
C32 C31 C36 119.1(7) . .
C33 C32 C31 120.6(7) . .
C33 C32 H32 119.70 . .
C31 C32 H32 119.70 . .
C32 C33 C34 119.3(8) . .
C32 C33 H33 120.30 . .
C34 C33 H33 120.30 . .
O341 C34 C35 116.4(8) . .
O341 C34 C33 123.5(8) . .
C35 C34 C33 120.1(7) . .
C36 C35 C34 119.7(8) . .
C36 C35 H35 120.20 . .
C34 C35 H35 120.20 . .
C35 C36 C31 121.3(8) . .
C35 C36 H36 119.40 . .
C31 C36 H36 119.40 . .
N111 C112 C113 102.3(6) . .
N111 C112 H11A 111.30 . .
C113 C112 H11A 111.30 . .
N111 C112 H11B 111.30 . .
C113 C112 H11B 111.30 . .
H11A C112 H11B 109.20 . .
O114 C113 C112 105.1(6) . .
O114 C113 H11C 110.70 . .
C112 C113 H11C 110.70 . .
O114 C113 H11D 110.70 . .
C112 C113 H11D 110.70 . .
H11C C113 H11D 108.80 . .
N111 C115 O114 113.8(6) . .
N111 C115 C121 128.7(6) . .
O114 C115 C121 117.5(6) . .
C122 C121 C115 121.2(6) . .
C122 C121 C126 119.2(7) . .
C115 C121 C126 119.6(7) . .
O122 C122 C121 123.2(6) . .
O122 C122 C123 117.2(7) . .
C121 C122 C123 119.5(7) . .
C124 C123 C122 119.4(7) . .
C124 C123 H123 120.30 . .
C122 C123 H123 120.30 . .
C123 C124 C125 121.5(7) . .
C123 C124 H124 119.30 . .
C125 C124 H124 119.30 . .
C126 C125 C124 119.6(7) . .
C126 C125 H125 120.20 . .
C124 C125 H125 120.20 . .
C125 C126 C121 120.8(8) . .
C125 C126 H126 119.60 . .
C121 C126 H126 119.60 . .
N211 C212 C213 103.0(7) . .
N211 C212 H21A 111.20 . .
C213 C212 H21A 111.20 . .
N211 C212 H21B 111.20 . .
C213 C212 H21B 111.20 . .
H21A C212 H21B 109.10 . .
O214 C213 C212 104.0(6) . .
O214 C213 H21C 111.00 . .
C212 C213 H21C 111.00 . .
O214 C213 H21D 111.00 . .
C212 C213 H21D 111.00 . .
H21C C213 H21D 109.00 . .
N211 C215 O214 115.7(7) . .
N211 C215 C221 126.9(7) . .
O214 C215 C221 117.4(7) . .
C226 C221 C222 120.5(7) . .
C226 C221 C215 119.9(7) . .
C222 C221 C215 119.3(7) . .
O222 C222 C221 122.7(7) . .
O222 C222 C223 119.0(6) . .
C221 C222 C223 118.2(7) . .
C224 C223 C222 120.6(7) . .
C224 C223 H223 119.70 . .
C222 C223 H223 119.70 . .
C225 C224 C223 121.3(7) . .
C225 C224 H224 119.40 . .
C223 C224 H224 119.40 . .
C224 C225 C226 119.3(7) . .
C224 C225 H225 120.40 . .
C226 C225 H225 120.40 . .
C221 C226 C225 120.0(7) . .
C221 C226 H226 120.00 . .
C225 C226 H226 120.00 . .
O341 C342 H34A 109.50 . .
O341 C342 H34B 109.50 . .
H34A C342 H34B 109.50 . .
O341 C342 H34C 109.50 . .
H34A C342 H34C 109.50 . .
H34B C342 H34C 109.50 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re O33 1.716(5) .
Re N3 1.763(6) .
Re O122 2.016(5) .
Re O222 2.024(5) .
Re N111 2.081(6) .
Re N211 2.103(6) .
P1 F13 1.586(6) 2_656
P1 F13 1.586(6) .
P1 F11 1.590(6) 2_656
P1 F11 1.590(6) .
P1 F12 1.601(5) .
P1 F12 1.601(5) 2_656
P2 F21 1.461(16) .
P2 F23 1.47(2) .
P2 F22 1.54(2) .
P2 F24 1.564(12) .
P2 F26 1.567(16) .
P2 F25 1.616(15) .
O114 C115 1.329(8) .
O114 C113 1.460(10) .
O122 C122 1.321(8) .
O214 C215 1.332(9) .
O214 C213 1.474(11) .
O222 C222 1.324(8) .
O341 C34 1.345(10) .
O341 C342 1.421(12) .
N3 C31 1.348(9) .
N111 C115 1.326(9) .
N111 C112 1.469(9) .
N211 C215 1.290(10) .
N211 C212 1.470(9) .
C31 C32 1.389(10) .
C31 C36 1.394(11) .
C32 C33 1.373(11) .
C32 H32 0.9500 .
C33 C34 1.409(12) .
C33 H33 0.9500 .
C34 C35 1.387(12) .
C35 C36 1.360(12) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C112 C113 1.526(11) .
C112 H11A 0.9900 .
C112 H11B 0.9900 .
C113 H11C 0.9900 .
C113 H11D 0.9900 .
C115 C121 1.411(10) .
C121 C122 1.409(10) .
C121 C126 1.422(10) .
C122 C123 1.409(10) .
C123 C124 1.389(11) .
C123 H123 0.9500 .
C124 C125 1.395(13) .
C124 H124 0.9500 .
C125 C126 1.369(12) .
C125 H125 0.9500 .
C126 H126 0.9500 .
C212 C213 1.524(12) .
C212 H21A 0.9900 .
C212 H21B 0.9900 .
C213 H21C 0.9900 .
C213 H21D 0.9900 .
C215 C221 1.452(10) .
C221 C226 1.387(11) .
C221 C222 1.401(10) .
C222 C223 1.412(10) .
C223 C224 1.372(11) .
C223 H223 0.9500 .
C224 C225 1.371(12) .
C224 H224 0.9500 .
C225 C226 1.410(12) .
C225 H225 0.9500 .
C226 H226 0.9500 .
C342 H34A 0.9800 .
C342 H34B 0.9800 .
C342 H34C 0.9800 .
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
O33 Re O122 C122 -115.7(6)
N3 Re O122 C122 49.3(15)
O222 Re O122 C122 76.0(6)
N111 Re O122 C122 -15.9(6)
N211 Re O122 C122 157.6(6)
O33 Re O222 C222 -3.4(12)
N3 Re O222 C222 -137.6(6)
O122 Re O222 C222 47.6(6)
N111 Re O222 C222 132.2(6)
N211 Re O222 C222 -38.1(6)
O33 Re N3 C31 152(3)
O122 Re N3 C31 -12(4)
O222 Re N3 C31 -39(3)
N111 Re N3 C31 53(3)
N211 Re N3 C31 -119(3)
O33 Re N111 C115 95.3(6)
N3 Re N111 C115 -162.8(6)
O122 Re N111 C115 6.7(5)
O222 Re N111 C115 -74.0(6)
N211 Re N111 C115 -24.3(13)
O33 Re N111 C112 -85.0(6)
N3 Re N111 C112 16.9(6)
O122 Re N111 C112 -173.6(5)
O222 Re N111 C112 105.7(5)
N211 Re N111 C112 155.4(9)
O33 Re N211 C215 -141.4(7)
N3 Re N211 C215 117.3(7)
O122 Re N211 C215 -51.6(6)
O222 Re N211 C215 30.1(6)
N111 Re N211 C215 -20.5(14)
O33 Re N211 C212 29.6(6)
N3 Re N211 C212 -71.7(6)
O122 Re N211 C212 119.4(6)
O222 Re N211 C212 -158.9(6)
N111 Re N211 C212 150.5(9)
Re N3 C31 C32 23(3)
Re N3 C31 C36 -156(3)
N3 C31 C32 C33 -178.8(8)
C36 C31 C32 C33 0.2(13)
C31 C32 C33 C34 -0.5(13)
C342 O341 C34 C35 179.2(10)
C342 O341 C34 C33 2.1(15)
C32 C33 C34 O341 176.9(9)
C32 C33 C34 C35 -0.1(15)
O341 C34 C35 C36 -176.3(10)
C33 C34 C35 C36 0.9(16)
C34 C35 C36 C31 -1.1(17)
N3 C31 C36 C35 179.7(10)
C32 C31 C36 C35 0.6(15)
C115 N111 C112 C113 -4.8(8)
Re N111 C112 C113 175.5(5)
C115 O114 C113 C112 -5.1(8)
N111 C112 C113 O114 5.8(8)
C112 N111 C115 O114 1.9(8)
Re N111 C115 O114 -178.4(4)
C112 N111 C115 C121 -177.8(7)
Re N111 C115 C121 1.9(10)
C113 O114 C115 N111 2.2(8)
C113 O114 C115 C121 -178.1(6)
N111 C115 C121 C122 -7.1(11)
O114 C115 C121 C122 173.3(6)
N111 C115 C121 C126 175.0(6)
O114 C115 C121 C126 -4.6(9)
Re O122 C122 C121 15.9(10)
Re O122 C122 C123 -167.0(5)
C115 C121 C122 O122 -1.6(10)
C126 C121 C122 O122 176.3(6)
C115 C121 C122 C123 -178.6(6)
C126 C121 C122 C123 -0.7(10)
O122 C122 C123 C124 -177.2(6)
C121 C122 C123 C124 0.0(10)
C122 C123 C124 C125 -0.1(11)
C123 C124 C125 C126 1.0(11)
C124 C125 C126 C121 -1.7(11)
C122 C121 C126 C125 1.5(10)
C115 C121 C126 C125 179.4(6)
C215 N211 C212 C213 8.1(9)
Re N211 C212 C213 -164.3(6)
C215 O214 C213 C212 6.9(9)
N211 C212 C213 O214 -8.8(9)
C212 N211 C215 O214 -4.2(9)
Re N211 C215 O214 167.9(5)
C212 N211 C215 C221 173.8(7)
Re N211 C215 C221 -14.2(11)
C213 O214 C215 N211 -2.0(10)
C213 O214 C215 C221 179.8(7)
N211 C215 C221 C226 174.9(8)
O214 C215 C221 C226 -7.2(11)
N211 C215 C221 C222 -11.4(12)
O214 C215 C221 C222 166.5(7)
Re O222 C222 C221 27.9(10)
Re O222 C222 C223 -156.4(5)
C226 C221 C222 O222 179.3(7)
C215 C221 C222 O222 5.6(11)
C226 C221 C222 C223 3.5(11)
C215 C221 C222 C223 -170.1(7)
O222 C222 C223 C224 -179.1(7)
C221 C222 C223 C224 -3.2(11)
C222 C223 C224 C225 0.5(12)
C223 C224 C225 C226 2.0(13)
C222 C221 C226 C225 -1.1(12)
C215 C221 C226 C225 172.5(7)
C224 C225 C226 C221 -1.7(12)
