#------------------------------------------------------------------------------
#$Date: 2015-12-10 14:39:00 +0200 (Thu, 10 Dec 2015) $
#$Revision: 171417 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/81/7118153.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_7118153
loop_
_publ_author_name
'Vladimir Bulicanu'
'Kasper S. Pedersen'
'Mathieu Rouzieres'
'Jesper Bendix'
'Pierre Dechambenoit'
'Rodolphe Clerac'
'Elizabeth A. Hillard'
_publ_section_title
;
 One-dimensional coordination polymers of [Co3(dpa)4]²⁺ and [MF6]²⁻ (M
 = ReIV, ZrIV and SnIV)
;
_journal_coden_Cambridge         182
_journal_name_full               Chem.Commun.
_journal_page_first              17748
_journal_paper_doi               10.1039/C5cc06704A
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'F6 Re, 2(C24 H20 P), C2 H3 N'
_chemical_formula_sum            'C50 H43 F6 N P2 Re'
_chemical_formula_weight         1020.05
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     iterative
_audit_creation_date             2015-07-10
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3151 for OlexSys, GUI svn.r4998)
;
_audit_update_record
;
2015-07-29 deposited with the CCDC.
2015-10-16 downloaded from the CCDC.
;
_cell_angle_alpha                104.686(1)
_cell_angle_beta                 92.005(1)
_cell_angle_gamma                106.919(1)
_cell_formula_units_Z            2
_cell_length_a                   9.9941(3)
_cell_length_b                   10.9876(4)
_cell_length_c                   21.1474(7)
_cell_measurement_temperature    100.0
_cell_volume                     2134.23(12)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'olex2.refine (Bourhis et al., 2015)'
_computing_structure_solution    'olex2.solve (Bourhis et al., 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_detector                 'Bruker APEX2 area detector'
_diffrn_detector_area_resol_mean 7.9
_diffrn_detector_type            'CCD area detector'
_diffrn_measured_fraction_theta_full 0.9978
_diffrn_measured_fraction_theta_max 0.9978
_diffrn_measurement_device       'three-circle diffractometer'
_diffrn_measurement_device_type  'Bruker APEX2 microsource'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  'mirror optics'
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0365
_diffrn_reflns_av_unetI/netI     0.0220
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            52904
_diffrn_reflns_theta_full        25.3786
_diffrn_reflns_theta_max         25.38
_diffrn_reflns_theta_min         1.00
_diffrn_source                   'microfocus sealed X-ray tube'
_diffrn_source_type              'Incoatec I\ms'
_exptl_absorpt_coefficient_mu    2.985
_exptl_absorpt_correction_T_max  0.7452
_exptl_absorpt_correction_T_min  0.6300
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'clear yellowish'
_exptl_crystal_colour_lustre     clear
_exptl_crystal_colour_modifier   yellowish
_exptl_crystal_density_diffrn    1.5872
_exptl_crystal_description       block
_exptl_crystal_F_000             1017.1629
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.06
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.6162
_refine_diff_density_min         -1.0381
_refine_diff_density_rms         0.0922
_refine_ls_d_res_high            0.8291
_refine_ls_d_res_low             20.3147
_refine_ls_goodness_of_fit_ref   1.0544
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_constraints    84
_refine_ls_number_parameters     541
_refine_ls_number_reflns         7816
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.0544
_refine_ls_R_factor_all          0.0205
_refine_ls_R_factor_gt           0.0190
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0165P)²+3.0033P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0439
_refine_ls_wR_factor_ref         0.0461
_reflns_Friedel_coverage         0.0
_reflns_limit_h_max              12
_reflns_limit_h_min              -12
_reflns_limit_k_max              12
_reflns_limit_k_min              -13
_reflns_limit_l_max              25
_reflns_limit_l_min              0
_reflns_number_gt                7493
_reflns_number_total             7816
_reflns_threshold_expression     I>=2u(I)
_cod_data_source_file            c5cc06704a2.cif
_cod_data_source_block           global
_cod_database_code               7118153
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Aromatic/amide H refined with riding coordinates:
 C1(H1), C2(H2), C3(H3), C7(H7), C8(H8), C9(H9), C10(H10), C11(H11), C12(H12),
 C13(H13), C14(H14), C16(H16), C17(H17), C18(H18), C19(H19), C20(H20), C21(H21),
  C22(H22), C23(H23), C24(H24), C25(H25), C26(H26), C27(H27), C30(H30),
 C31(H31), C32(H32), C33(H33), C34(H34), C35(H35), C38(H38), C39(H39), C40(H40),
  C41(H41), C42(H42), C43(H43), C44(H44), C45(H45), C46(H46), C47(H47), C48(H48)
2.b Idealised Me refined as rotating group:
 C50(H50a,H50b,H50c)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -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_refinement_flags_posn
Re1 Re 0.005208(9) 0.251277(8) 0.257731(4) 0.01117(4) Uani 1.000000 .
F1 F 0.06547(14) 0.22144(13) 0.16977(6) 0.0150(3) Uani 1.000000 .
F2 F -0.05426(14) 0.28399(14) 0.34571(6) 0.0183(3) Uani 1.000000 .
F3 F -0.19100(14) 0.18243(13) 0.21810(6) 0.0161(3) Uani 1.000000 .
F4 F -0.00153(14) 0.07225(13) 0.25836(7) 0.0176(3) Uani 1.000000 .
F5 F 0.01589(14) 0.43268(13) 0.25775(7) 0.0171(3) Uani 1.000000 .
F6 F 0.20237(14) 0.31912(14) 0.29709(7) 0.0169(3) Uani 1.000000 .
C51 C 0.4221(2) -0.3387(2) 0.12124(11) 0.0120(5) Uani 1.000000 .
P1 P -0.44289(6) 0.74446(6) 0.42572(3) 0.01030(12) Uani 1.000000 .
N3 N -0.1287(3) 0.7453(3) 0.23116(13) 0.0361(6) Uani 1.000000 .
C1 C 0.1630(3) -0.4078(3) -0.12023(12) 0.0259(6) Uani 1.000000 .
H1 H 0.1049(3) -0.4454(3) -0.16122(12) 0.0311(7) Uiso 1.000000 R
C2 C 0.2316(3) -0.4826(3) -0.09606(13) 0.0278(6) Uani 1.000000 .
H2 H 0.2183(3) -0.5718(3) -0.11989(13) 0.0334(7) Uiso 1.000000 R
C3 C 0.3196(3) -0.4272(3) -0.03709(12) 0.0214(5) Uani 1.000000 .
H3 H 0.3676(3) -0.4779(3) -0.02074(12) 0.0257(7) Uiso 1.000000 R
C4 C 0.3371(2) -0.2967(2) -0.00203(11) 0.0145(5) Uani 1.000000 .
P2 P 0.45544(6) -0.22346(6) 0.07258(3) 0.01057(12) Uani 1.000000 .
C6 C 0.6348(2) -0.1838(2) 0.05490(11) 0.0134(5) Uani 1.000000 .
C7 C 0.7431(3) -0.1054(2) 0.10534(12) 0.0165(5) Uani 1.000000 .
H7 H 0.7212(3) -0.0704(2) 0.14819(12) 0.0198(6) Uiso 1.000000 R
C8 C 0.8822(3) -0.0789(3) 0.09257(13) 0.0213(5) Uani 1.000000 .
H8 H 0.9560(3) -0.0264(3) 0.12675(13) 0.0256(7) Uiso 1.000000 R
C9 C 0.9135(3) -0.1292(3) 0.02986(14) 0.0249(6) Uani 1.000000 .
H9 H 1.0091(3) -0.1121(3) 0.02150(14) 0.0298(7) Uiso 1.000000 R
C10 C 0.3613(3) -0.4988(2) 0.20588(12) 0.0214(6) Uani 1.000000 .
H10 H 0.3402(3) -0.5520(2) 0.23551(12) 0.0256(7) Uiso 1.000000 R
C11 C 0.4974(3) -0.4201(2) 0.20714(12) 0.0213(6) Uani 1.000000 .
H11 H 0.5702(3) -0.4216(2) 0.23679(12) 0.0255(7) Uiso 1.000000 R
C12 C 0.5294(3) -0.3385(2) 0.16537(12) 0.0170(5) Uani 1.000000 .
H12 H 0.6231(3) -0.2833(2) 0.16692(12) 0.0204(6) Uiso 1.000000 R
C13 C 0.1784(3) -0.2791(3) -0.08521(12) 0.0215(6) Uani 1.000000 .
H13 H 0.1295(3) -0.2291(3) -0.10162(12) 0.0258(7) Uiso 1.000000 R
C14 C 0.2655(2) -0.2229(3) -0.02598(12) 0.0168(5) Uani 1.000000 .
H14 H 0.2764(2) -0.1343(3) -0.00180(12) 0.0201(6) Uiso 1.000000 R
C15 C 0.4180(3) -0.0768(2) 0.11671(11) 0.0140(5) Uani 1.000000 .
C16 C 0.5071(3) 0.0490(2) 0.12031(12) 0.0170(5) Uani 1.000000 .
H16 H 0.5926(3) 0.0592(2) 0.10095(12) 0.0204(6) Uiso 1.000000 R
C17 C 0.4705(3) 0.1594(3) 0.15232(13) 0.0218(6) Uani 1.000000 .
H17 H 0.5311(3) 0.2455(3) 0.15494(13) 0.0262(7) Uiso 1.000000 R
C18 C 0.3453(3) 0.1445(3) 0.18057(12) 0.0221(6) Uani 1.000000 .
H18 H 0.3202(3) 0.2204(3) 0.20199(12) 0.0266(7) Uiso 1.000000 R
C19 C 0.2566(3) 0.0190(3) 0.17768(12) 0.0213(6) Uani 1.000000 .
H19 H 0.1716(3) 0.0092(3) 0.19749(12) 0.0256(7) Uiso 1.000000 R
C20 C 0.2927(3) -0.0915(2) 0.14576(12) 0.0177(5) Uani 1.000000 .
H20 H 0.2323(3) -0.1774(2) 0.14357(12) 0.0212(6) Uiso 1.000000 R
C21 C 0.6673(3) -0.2325(2) -0.00847(12) 0.0183(5) Uani 1.000000 .
H21 H 0.5940(3) -0.2848(2) -0.04291(12) 0.0219(6) Uiso 1.000000 R
C22 C 0.8069(3) -0.2042(3) -0.02094(13) 0.0256(6) Uani 1.000000 .
H22 H 0.8294(3) -0.2361(3) -0.06404(13) 0.0307(7) Uiso 1.000000 R
C23 C 0.2848(3) -0.4211(2) 0.11899(12) 0.0176(5) Uani 1.000000 .
H23 H 0.2121(3) -0.4226(2) 0.08837(12) 0.0211(6) Uiso 1.000000 R
C24 C 0.2548(3) -0.5003(2) 0.16131(12) 0.0199(5) Uani 1.000000 .
H24 H 0.1613(3) -0.5558(2) 0.15994(12) 0.0239(6) Uiso 1.000000 R
C25 C -0.4342(3) 1.0147(2) 0.29175(11) 0.0178(5) Uani 1.000000 .
H25 H -0.4325(3) 1.0708(2) 0.26398(11) 0.0214(6) Uiso 1.000000 R
C26 C -0.5464(3) 0.9853(2) 0.32785(12) 0.0189(5) Uani 1.000000 .
H26 H -0.6208(3) 1.0220(2) 0.32499(12) 0.0226(6) Uiso 1.000000 R
C27 C -0.5509(3) 0.9024(2) 0.36829(12) 0.0158(5) Uani 1.000000 .
H27 H -0.6275(3) 0.8833(2) 0.39339(12) 0.0189(6) Uiso 1.000000 R
C28 C -0.4423(2) 0.8476(2) 0.37170(11) 0.0121(5) Uani 1.000000 .
C29 C -0.3062(2) 0.8335(2) 0.49299(11) 0.0141(5) Uani 1.000000 .
C30 C -0.2717(3) 0.7635(3) 0.53469(12) 0.0219(6) Uani 1.000000 .
H30 H -0.3204(3) 0.6719(3) 0.52701(12) 0.0263(7) Uiso 1.000000 R
C31 C -0.1665(3) 0.8279(3) 0.58712(13) 0.0258(6) Uani 1.000000 .
H31 H -0.1438(3) 0.7810(3) 0.61583(13) 0.0309(7) Uiso 1.000000 R
C32 C -0.0946(3) 0.9615(3) 0.59740(12) 0.0244(6) Uani 1.000000 .
H32 H -0.0225(3) 1.0057(3) 0.63329(12) 0.0293(7) Uiso 1.000000 R
C33 C -0.8738(3) 0.6514(3) 0.50095(13) 0.0212(6) Uani 1.000000 .
H33 H -0.9637(3) 0.6342(3) 0.51641(13) 0.0254(7) Uiso 1.000000 R
C34 C -0.8631(3) 0.6008(2) 0.43435(13) 0.0194(5) Uani 1.000000 .
H34 H -0.9452(3) 0.5471(2) 0.40503(13) 0.0233(6) Uiso 1.000000 R
C35 C -0.7332(3) 0.6288(2) 0.41112(12) 0.0154(5) Uani 1.000000 .
H35 H -0.7259(3) 0.5972(2) 0.36560(12) 0.0185(6) Uiso 1.000000 R
C36 C -0.6121(2) 0.7044(2) 0.45533(11) 0.0123(5) Uani 1.000000 .
C37 C -0.4018(2) 0.5978(2) 0.38479(11) 0.0129(5) Uani 1.000000 .
C38 C -0.2630(3) 0.6109(2) 0.36997(12) 0.0160(5) Uani 1.000000 .
H38 H -0.1924(3) 0.6947(2) 0.38455(12) 0.0192(6) Uiso 1.000000 R
C39 C -0.2297(3) 0.5023(3) 0.33430(12) 0.0195(5) Uani 1.000000 .
H39 H -0.1364(3) 0.5117(3) 0.32348(12) 0.0233(6) Uiso 1.000000 R
C40 C -0.3320(3) 0.3788(2) 0.31399(12) 0.0195(5) Uani 1.000000 .
H40 H -0.3089(3) 0.3043(2) 0.28883(12) 0.0234(6) Uiso 1.000000 R
C41 C -0.4674(3) 0.3647(2) 0.33059(12) 0.0189(5) Uani 1.000000 .
H41 H -0.5361(3) 0.2798(2) 0.31789(12) 0.0227(6) Uiso 1.000000 R
C42 C -0.5040(2) 0.4736(2) 0.36566(11) 0.0144(5) Uani 1.000000 .
H42 H -0.5973(2) 0.4634(2) 0.37644(11) 0.0173(6) Uiso 1.000000 R
C43 C -0.1270(3) 1.0305(3) 0.55586(13) 0.0228(6) Uani 1.000000 .
H43 H -0.0763(3) 1.1215(3) 0.56304(13) 0.0274(7) Uiso 1.000000 R
C44 C -0.2335(3) 0.9672(2) 0.50358(12) 0.0166(5) Uani 1.000000 .
H44 H -0.2564(3) 1.0148(2) 0.47533(12) 0.0200(6) Uiso 1.000000 R
C45 C -0.3243(3) 0.9626(2) 0.29598(12) 0.0187(5) Uani 1.000000 .
H45 H -0.2461(3) 0.9849(2) 0.27217(12) 0.0224(6) Uiso 1.000000 R
C46 C -0.3290(3) 0.8779(2) 0.33500(11) 0.0161(5) Uani 1.000000 .
H46 H -0.2552(3) 0.8402(2) 0.33697(11) 0.0193(6) Uiso 1.000000 R
C47 C -0.6232(3) 0.7523(2) 0.52196(12) 0.0161(5) Uani 1.000000 .
H47 H -0.5409(3) 0.8025(2) 0.55186(12) 0.0193(6) Uiso 1.000000 R
C48 C -0.7547(3) 0.7264(2) 0.54462(12) 0.0193(5) Uani 1.000000 .
H48 H -0.7627(3) 0.7601(2) 0.58988(12) 0.0232(6) Uiso 1.000000 R
C49 C -0.0226(3) 0.7406(2) 0.24952(13) 0.0264(6) Uani 1.000000 .
C50 C 0.1131(3) 0.7339(3) 0.27394(14) 0.0275(6) Uani 1.000000 .
H50a H 0.1877(4) 0.7805(17) 0.2518(7) 0.0412(9) Uiso 1.000000 GR
H50b H 0.1324(10) 0.7756(17) 0.3215(2) 0.0412(9) Uiso 1.000000 GR
H50c H 0.1103(7) 0.6411(3) 0.2649(9) 0.0412(9) Uiso 1.000000 GR
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
_atom_type_scat_dispersion_source
C 0.00347 0.00161 2.31000 1.02000 1.58860 0.86500 20.84390 10.20750 0.56870
51.65120 0.215599998832
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
F 0.01794 0.01033 3.53920 2.64120 1.51700 1.02430 10.28250 4.29440 0.26150
26.14760 0.277599990368
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
H 0.00000 0.00000 0.49300 0.32291 0.14019 0.04081 10.51090 26.12570 3.14236
57.79970 0.0030380000826
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
N 0.00653 0.00323 12.21260 3.13220 2.01250 1.16630 0.00570 9.89330 28.99750
0.58260 -11.5290002823
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
P 0.10434 0.09671 6.43450 4.17910 1.78000 1.49080 1.90670 27.15700 0.52600
68.16450 1.11489999294
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
Re -0.86767 7.12843 28.76210 15.71890 14.55640 5.44174 1.67191 9.09227 0.35050
52.08610 10.4720001221
'International Tables Volume C Table 6.1.1.4 (pp. 500-502)'
'Henke, Gullikson and Davis, At. Data and Nucl. Data Tables, 1993, 54, 2'
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
F2 Re1 F1 179.12(5) . .
F3 Re1 F1 89.47(5) . .
F3 Re1 F2 90.72(6) . .
F4 Re1 F1 90.20(6) . .
F4 Re1 F2 90.67(6) . .
F4 Re1 F3 89.17(6) . .
F5 Re1 F1 89.73(6) . .
F5 Re1 F2 89.40(6) . .
F5 Re1 F3 91.94(6) . .
F5 Re1 F4 178.89(5) . .
F6 Re1 F1 90.26(5) . .
F6 Re1 F2 89.55(6) . .
F6 Re1 F3 179.55(5) . .
F6 Re1 F4 90.47(6) . .
F6 Re1 F5 88.42(6) . .
C12 C51 P2 120.43(18) . .
C23 C51 P2 119.37(17) . .
C23 C51 C12 120.0(2) . .
C29 P1 C28 108.59(11) . .
C36 P1 C28 108.77(11) . .
C36 P1 C29 110.62(11) . .
C37 P1 C28 111.22(11) . .
C37 P1 C29 106.34(11) . .
C37 P1 C36 111.27(11) . .
C2 C1 H1 119.74(16) . .
C13 C1 H1 119.74(15) . .
C13 C1 C2 120.5(2) . .
H2 C2 C1 119.96(16) . .
C3 C2 C1 120.1(3) . .
C3 C2 H2 119.96(16) . .
H3 C3 C2 120.20(16) . .
C4 C3 C2 119.6(2) . .
C4 C3 H3 120.20(14) . .
P2 C4 C3 119.57(18) . .
C14 C4 C3 120.0(2) . .
C14 C4 P2 120.38(19) . .
C4 P2 C51 108.08(11) . .
C6 P2 C51 110.63(11) . .
C6 P2 C4 110.59(11) . .
C15 P2 C51 108.75(11) . .
C15 P2 C4 108.26(11) . .
C15 P2 C6 110.46(11) . .
C7 C6 P2 119.60(18) . .
C21 C6 P2 120.52(18) . .
C21 C6 C7 119.9(2) . .
H7 C7 C6 120.08(14) . .
C8 C7 C6 119.8(2) . .
C8 C7 H7 120.08(15) . .
H8 C8 C7 120.06(15) . .
C9 C8 C7 119.9(2) . .
C9 C8 H8 120.06(15) . .
H9 C9 C8 119.61(15) . .
C22 C9 C8 120.8(2) . .
C22 C9 H9 119.61(16) . .
C11 C10 H10 119.95(14) . .
C24 C10 H10 119.95(15) . .
C24 C10 C11 120.1(2) . .
H11 C11 C10 119.66(14) . .
C12 C11 C10 120.7(2) . .
C12 C11 H11 119.66(15) . .
C11 C12 C51 119.2(2) . .
H12 C12 C51 120.40(14) . .
H12 C12 C11 120.40(15) . .
H13 C13 C1 120.05(15) . .
C14 C13 C1 119.9(2) . .
C14 C13 H13 120.05(15) . .
C13 C14 C4 119.8(2) . .
H14 C14 C4 120.08(14) . .
H14 C14 C13 120.08(15) . .
C16 C15 P2 121.71(19) . .
C20 C15 P2 118.25(18) . .
C20 C15 C16 120.0(2) . .
H16 C16 C15 120.17(14) . .
C17 C16 C15 119.7(2) . .
C17 C16 H16 120.17(15) . .
H17 C17 C16 119.91(15) . .
C18 C17 C16 120.2(2) . .
C18 C17 H17 119.91(15) . .
H18 C18 C17 119.81(15) . .
C19 C18 C17 120.4(2) . .
C19 C18 H18 119.81(15) . .
H19 C19 C18 120.18(15) . .
C20 C19 C18 119.6(2) . .
C20 C19 H19 120.18(16) . .
C19 C20 C15 120.1(2) . .
H20 C20 C15 119.94(14) . .
H20 C20 C19 119.94(16) . .
H21 C21 C6 120.07(14) . .
C22 C21 C6 119.9(2) . .
C22 C21 H21 120.07(15) . .
C21 C22 C9 119.8(2) . .
H22 C22 C9 120.12(16) . .
H22 C22 C21 120.12(15) . .
H23 C23 C51 120.00(13) . .
C24 C23 C51 120.0(2) . .
C24 C23 H23 120.00(15) . .
C23 C24 C10 120.0(2) . .
H24 C24 C10 119.99(15) . .
H24 C24 C23 119.99(15) . .
C26 C25 H25 119.87(14) . .
C45 C25 H25 119.87(14) . .
C45 C25 C26 120.3(2) . .
H26 C26 C25 119.77(14) . .
C27 C26 C25 120.5(2) . .
C27 C26 H26 119.77(15) . .
H27 C27 C26 120.23(15) . .
C28 C27 C26 119.5(2) . .
C28 C27 H27 120.23(13) . .
C27 C28 P1 120.33(18) . .
C46 C28 P1 119.96(18) . .
C46 C28 C27 119.6(2) . .
C30 C29 P1 117.92(19) . .
C44 C29 P1 122.03(18) . .
C44 C29 C30 120.0(2) . .
H30 C30 C29 119.99(15) . .
C31 C30 C29 120.0(2) . .
C31 C30 H30 119.99(16) . .
H31 C31 C30 120.22(16) . .
C32 C31 C30 119.6(2) . .
C32 C31 H31 120.22(15) . .
H32 C32 C31 119.70(15) . .
C43 C32 C31 120.6(2) . .
C43 C32 H32 119.70(15) . .
C34 C33 H33 119.69(15) . .
C48 C33 H33 119.69(15) . .
C48 C33 C34 120.6(2) . .
H34 C34 C33 119.99(15) . .
C35 C34 C33 120.0(2) . .
C35 C34 H34 119.99(15) . .
H35 C35 C34 120.26(15) . .
C36 C35 C34 119.5(2) . .
C36 C35 H35 120.26(14) . .
C35 C36 P1 120.04(18) . .
C47 C36 P1 119.75(18) . .
C47 C36 C35 120.2(2) . .
C38 C37 P1 118.16(18) . .
C42 C37 P1 121.92(18) . .
C42 C37 C38 119.9(2) . .
H38 C38 C37 120.05(14) . .
C39 C38 C37 119.9(2) . .
C39 C38 H38 120.05(15) . .
H39 C39 C38 119.82(15) . .
C40 C39 C38 120.4(2) . .
C40 C39 H39 119.82(15) . .
H40 C40 C39 120.11(15) . .
C41 C40 C39 119.8(2) . .
C41 C40 H40 120.11(15) . .
H41 C41 C40 119.59(15) . .
C42 C41 C40 120.8(2) . .
C42 C41 H41 119.59(14) . .
C41 C42 C37 119.2(2) . .
H42 C42 C37 120.41(14) . .
H42 C42 C41 120.41(14) . .
H43 C43 C32 119.87(15) . .
C44 C43 C32 120.3(2) . .
C44 C43 H43 119.87(15) . .
C43 C44 C29 119.5(2) . .
H44 C44 C29 120.25(13) . .
H44 C44 C43 120.25(15) . .
H45 C45 C25 120.12(14) . .
C46 C45 C25 119.8(2) . .
C46 C45 H45 120.12(15) . .
C45 C46 C28 120.3(2) . .
H46 C46 C28 119.85(13) . .
H46 C46 C45 119.85(15) . .
H47 C47 C36 120.02(14) . .
C48 C47 C36 120.0(2) . .
C48 C47 H47 120.02(14) . .
C47 C48 C33 119.7(2) . .
H48 C48 C33 120.14(15) . .
H48 C48 C47 120.14(14) . .
C50 C49 N3 179.2(3) . .
H50a C50 C49 109.5 . .
H50b C50 C49 109.5 . .
H50b C50 H50a 109.5 . .
H50c C50 C49 109.5 . .
H50c C50 H50a 109.5 . .
H50c C50 H50b 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 F1 1.9530(13) .
Re1 F2 1.9509(13) .
Re1 F3 1.9544(13) .
Re1 F4 1.9521(13) .
Re1 F5 1.9647(13) .
Re1 F6 1.9613(13) .
C51 P2 1.793(2) .
C51 C12 1.395(3) .
C51 C23 1.399(3) .
P1 C28 1.801(2) .
P1 C29 1.797(2) .
P1 C36 1.796(2) .
P1 C37 1.794(2) .
N3 C49 1.136(4) .
C1 H1 0.9500 .
C1 C2 1.387(4) .
C1 C13 1.381(4) .
C2 H2 0.9500 .
C2 C3 1.388(4) .
C3 H3 0.9500 .
C3 C4 1.393(3) .
C4 P2 1.791(2) .
C4 C14 1.396(3) .
P2 C6 1.794(2) .
P2 C15 1.794(2) .
C6 C7 1.401(3) .
C6 C21 1.398(3) .
C7 H7 0.9500 .
C7 C8 1.386(3) .
C8 H8 0.9500 .
C8 C9 1.386(4) .
C9 H9 0.9500 .
C9 C22 1.389(4) .
C10 H10 0.9500 .
C10 C11 1.378(4) .
C10 C24 1.390(4) .
C11 H11 0.9500 .
C11 C12 1.394(3) .
C12 H12 0.9500 .
C13 H13 0.9500 .
C13 C14 1.388(3) .
C14 H14 0.9500 .
C15 C16 1.391(3) .
C15 C20 1.399(3) .
C16 H16 0.9500 .
C16 C17 1.387(4) .
C17 H17 0.9500 .
C17 C18 1.390(4) .
C18 H18 0.9500 .
C18 C19 1.390(4) .
C19 H19 0.9500 .
C19 C20 1.385(4) .
C20 H20 0.9500 .
C21 H21 0.9500 .
C21 C22 1.388(4) .
C22 H22 0.9500 .
C23 H23 0.9500 .
C23 C24 1.382(3) .
C24 H24 0.9500 .
C25 H25 0.9500 .
C25 C26 1.385(4) .
C25 C45 1.389(4) .
C26 H26 0.9500 .
C26 C27 1.391(3) .
C27 H27 0.9500 .
C27 C28 1.394(3) .
C28 C46 1.403(3) .
C29 C30 1.402(3) .
C29 C44 1.391(3) .
C30 H30 0.9500 .
C30 C31 1.386(4) .
C31 H31 0.9500 .
C31 C32 1.390(4) .
C32 H32 0.9500 .
C32 C43 1.383(4) .
C33 H33 0.9500 .
C33 C34 1.397(4) .
C33 C48 1.384(4) .
C34 H34 0.9500 .
C34 C35 1.383(3) .
C35 H35 0.9500 .
C35 C36 1.404(3) .
C36 C47 1.394(3) .
C37 C38 1.407(3) .
C37 C42 1.396(3) .
C38 H38 0.9500 .
C38 C39 1.377(3) .
C39 H39 0.9500 .
C39 C40 1.392(4) .
C40 H40 0.9500 .
C40 C41 1.385(4) .
C41 H41 0.9500 .
C41 C42 1.392(3) .
C42 H42 0.9500 .
C43 H43 0.9500 .
C43 C44 1.391(3) .
C44 H44 0.9500 .
C45 H45 0.9500 .
C45 C46 1.383(3) .
C46 H46 0.9500 .
C47 H47 0.9500 .
C47 C48 1.391(3) .
C48 H48 0.9500 .
C49 C50 1.463(4) .
C50 H50a 0.9800 .
C50 H50b 0.9800 .
C50 H50c 0.9800 .
