#------------------------------------------------------------------------------
#$Date: 2016-02-20 18:35:30 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176787 $
#$URL: svn://www.crystallography.net/cod/cif/2/21/26/2212685.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2212685
loop_
_publ_author_name
'Michael A. Beckett'
'Mark E. Light'
'David S. Brassington'
'Mark Thornton-Pett'
_publ_section_title
;
 fac,cis-Bromidotricarbonylbis(tribenzylphosphine)rhenium(I)
;
_journal_coeditor_code           SG2132
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m785
_journal_page_last               m786
_journal_paper_doi               10.1107/S160053680700726X
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Re Br (C21 H21 P)2 (C O)3]'
_chemical_formula_moiety         'C45 H42 Br O3 P2 Re'
_chemical_formula_sum            'C45 H42 Br O3 P2 Re'
_chemical_formula_weight         958.84
_chemical_name_systematic
;
fac-Bromidootricarbonylbis(tribenzylphosphine-\kP)rhenium(I)
;
_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                103.046(5)
_cell_angle_beta                 94.822(6)
_cell_angle_gamma                92.164(6)
_cell_formula_units_Z            2
_cell_length_a                   10.1580(10)
_cell_length_b                   10.3730(10)
_cell_length_c                   19.289(2)
_cell_measurement_reflns_used    6638
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      25.02
_cell_measurement_theta_min      2.94
_cell_volume                     1969.6(3)
_computing_cell_refinement
'DENZO (Otwinowski & Minor, 1997) and COLLECT'
_computing_data_collection       'COLLECT (Hooft, 1998)'
_computing_data_reduction        'DENZO and COLLECT'
_computing_molecular_graphics    'CAMERON (Watkin et al.,  1993)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 9.091
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_diffrn_measurement_device_type  'Bruker--Nonius CCD camera on κ-goniostat'
_diffrn_measurement_method       'φ and ω scans to fill the asymmetric unit'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.0274
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            6638
_diffrn_reflns_theta_full        25.02
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.94
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.220
_exptl_absorpt_correction_T_max  0.714
_exptl_absorpt_correction_T_min  0.664
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SORTAV; Blessing, 1995)'
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    1.617
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             952
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.689
_refine_diff_density_min         -1.093
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.066
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     469
_refine_ls_number_reflns         6638
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.066
_refine_ls_R_factor_all          0.0204
_refine_ls_R_factor_gt           0.0196
_refine_ls_shift/su_max          0.005
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0155P)²+2.6094P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0487
_refine_ls_wR_factor_ref         0.0491
_reflns_number_gt                6477
_reflns_number_total             6638
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sg2132.cif
_cod_data_source_block           I
_cod_database_code               2212685
_cod_database_fobs_code          2212685
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_type_symbol
_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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
C C1 1.0450(3) -0.0953(3) 0.87704(16) 0.0255(6) Uani d . 1
C C2 1.0029(3) 0.1519(3) 0.87778(14) 0.0198(6) Uani d . 1
C C3 1.2052(3) 0.0217(3) 0.80536(14) 0.0207(6) Uani d . 1
C C4 0.7497(3) -0.2293(2) 0.81734(14) 0.0183(5) Uani d . 1
H H4A 0.7059 -0.2979 0.7769 0.022 Uiso calc R 1
H H4B 0.8376 -0.2600 0.8302 0.022 Uiso calc R 1
C C5 0.6690(3) -0.2190(3) 0.88019(14) 0.0227(6) Uani d . 1
C C6 0.5342(3) -0.2461(3) 0.87048(19) 0.0349(7) Uani d . 1
H H6 0.4901 -0.2736 0.8237 0.042 Uiso calc R 1
C C7 0.4621(4) -0.2324(4) 0.9311(3) 0.0591(12) Uani d . 1
H H7 0.3689 -0.2505 0.9256 0.071 Uiso calc R 1
C C8 0.5298(6) -0.1919(5) 0.9989(2) 0.0699(15) Uani d . 1
H H8 0.4815 -0.1801 1.0398 0.084 Uiso calc R 1
C C9 0.6626(6) -0.1692(5) 1.0079(2) 0.0679(14) Uani d . 1
H H9 0.7072 -0.1450 1.0547 0.081 Uiso calc R 1
C C10 0.7327(4) -0.1811(3) 0.94939(16) 0.0419(8) Uani d . 1
H H10 0.8259 -0.1633 0.9559 0.050 Uiso calc R 1
C C11 0.7020(3) -0.1151(3) 0.69143(13) 0.0178(5) Uani d . 1
H H11A 0.6616 -0.0355 0.6808 0.021 Uiso calc R 1
H H11B 0.7750 -0.1356 0.6605 0.021 Uiso calc R 1
C C12 0.5990(3) -0.2295(2) 0.67042(13) 0.0166(5) Uani d . 1
C C13 0.6381(3) -0.3553(3) 0.63834(14) 0.0231(6) Uani d . 1
H H13 0.7280 -0.3668 0.6296 0.028 Uiso calc R 1
C C14 0.5470(3) -0.4631(3) 0.61921(15) 0.0283(7) Uani d . 1
H H14 0.5745 -0.5476 0.5966 0.034 Uiso calc R 1
C C15 0.4164(3) -0.4482(3) 0.63291(16) 0.0304(7) Uani d . 1
H H15 0.3544 -0.5225 0.6204 0.036 Uiso calc R 1
C C16 0.3762(3) -0.3245(3) 0.66499(16) 0.0282(7) Uani d . 1
H H16 0.2866 -0.3139 0.6747 0.034 Uiso calc R 1
C C17 0.4675(3) -0.2158(3) 0.68306(14) 0.0224(6) Uani d . 1
H H17 0.4391 -0.1309 0.7044 0.027 Uiso calc R 1
C C18 0.6525(3) 0.0344(2) 0.83373(13) 0.0166(5) Uani d . 1
H H18A 0.5655 -0.0156 0.8242 0.020 Uiso calc R 1
H H18B 0.6785 0.0503 0.8857 0.020 Uiso calc R 1
C C19 0.6353(3) 0.1670(2) 0.81524(13) 0.0169(5) Uani d . 1
C C20 0.6965(3) 0.2821(3) 0.85946(14) 0.0227(6) Uani d . 1
H H20 0.7524 0.2762 0.9005 0.027 Uiso calc R 1
C C21 0.6775(3) 0.4054(3) 0.84466(16) 0.0293(7) Uani d . 1
H H21 0.7192 0.4830 0.8758 0.035 Uiso calc R 1
C C22 0.5979(3) 0.4151(3) 0.78459(16) 0.0282(7) Uani d . 1
H H22 0.5862 0.4992 0.7739 0.034 Uiso calc R 1
C C23 0.5354(3) 0.3023(3) 0.74003(15) 0.0241(6) Uani d . 1
H H23 0.4807 0.3087 0.6987 0.029 Uiso calc R 1
C C24 0.5529(3) 0.1797(3) 0.75586(14) 0.0191(5) Uani d . 1
H H24 0.5078 0.1029 0.7256 0.023 Uiso calc R 1
C C25 0.8579(3) 0.2131(3) 0.69043(14) 0.0195(6) Uani d . 1
H H25A 0.7844 0.1445 0.6826 0.023 Uiso calc R 1
H H25B 0.8426 0.2813 0.7335 0.023 Uiso calc R 1
C C26 0.8495(3) 0.2773(3) 0.62743(14) 0.0195(6) Uani d . 1
C C27 0.9074(3) 0.4030(3) 0.63119(14) 0.0200(6) Uani d . 1
H H27 0.9521 0.4518 0.6750 0.024 Uiso calc R 1
C C28 0.9006(3) 0.4578(3) 0.57154(15) 0.0247(6) Uani d . 1
H H28 0.9425 0.5426 0.5745 0.030 Uiso calc R 1
C C29 0.8326(3) 0.3891(3) 0.50777(15) 0.0264(6) Uani d . 1
H H29 0.8273 0.4266 0.4671 0.032 Uiso calc R 1
C C30 0.7728(3) 0.2654(3) 0.50383(15) 0.0284(7) Uani d . 1
H H30 0.7253 0.2183 0.4604 0.034 Uiso calc R 1
C C31 0.7814(3) 0.2095(3) 0.56274(15) 0.0236(6) Uani d . 1
H H31 0.7405 0.1241 0.5591 0.028 Uiso calc R 1
C C32 1.1414(3) 0.2737(3) 0.73241(13) 0.0189(5) Uani d . 1
H H32A 1.2289 0.2357 0.7274 0.023 Uiso calc R 1
H H32B 1.1284 0.3283 0.6967 0.023 Uiso calc R 1
C C33 1.1447(3) 0.3643(3) 0.80622(14) 0.0217(6) Uani d . 1
C C34 1.2524(3) 0.3653(3) 0.85597(15) 0.0274(6) Uani d . 1
H H34 1.3228 0.3096 0.8432 0.033 Uiso calc R 1
C C35 1.2580(3) 0.4472(3) 0.92417(17) 0.0368(8) Uani d . 1
H H35 1.3321 0.4470 0.9576 0.044 Uiso calc R 1
C C36 1.1566(4) 0.5286(3) 0.94344(16) 0.0359(8) Uani d . 1
H H36 1.1602 0.5833 0.9903 0.043 Uiso calc R 1
C C37 1.0501(3) 0.5304(3) 0.89464(16) 0.0318(7) Uani d . 1
H H37 0.9805 0.5870 0.9077 0.038 Uiso calc R 1
C C38 1.0446(3) 0.4490(3) 0.82605(15) 0.0258(6) Uani d . 1
H H38 0.9714 0.4515 0.7924 0.031 Uiso calc R 1
C C39 1.0502(3) 0.0409(3) 0.62038(14) 0.0218(6) Uani d . 1
H H39A 1.0709 -0.0498 0.6245 0.026 Uiso calc R 1
H H39B 0.9686 0.0326 0.5875 0.026 Uiso calc R 1
C C40 1.1609(3) 0.0950(3) 0.58586(13) 0.0193(6) Uani d . 1
C C41 1.2900(3) 0.0610(3) 0.59931(14) 0.0273(6) Uani d . 1
H H41 1.3084 0.0059 0.6317 0.033 Uiso calc R 1
C C42 1.3923(3) 0.1064(4) 0.56616(17) 0.0385(8) Uani d . 1
H H42 1.4798 0.0812 0.5755 0.046 Uiso calc R 1
C C43 1.3676(4) 0.1882(3) 0.51945(17) 0.0397(9) Uani d . 1
H H43 1.4377 0.2197 0.4968 0.048 Uiso calc R 1
C C44 1.2404(4) 0.2234(3) 0.50620(16) 0.0352(8) Uani d . 1
H H44 1.2226 0.2798 0.4744 0.042 Uiso calc R 1
C C45 1.1380(3) 0.1773(3) 0.53878(14) 0.0248(6) Uani d . 1
H H45 1.0506 0.2023 0.5289 0.030 Uiso calc R 1
O O1 1.0737(2) -0.1429(2) 0.92452(12) 0.0407(6) Uani d . 1
O O2 0.9960(2) 0.23532(19) 0.92824(10) 0.0272(4) Uani d . 1
O O3 1.3187(2) 0.0273(2) 0.80676(11) 0.0312(5) Uani d . 1
P P1 0.77483(7) -0.07233(6) 0.78622(3) 0.01423(13) Uani d . 1
P P2 1.01289(7) 0.13525(6) 0.71007(3) 0.01552(14) Uani d . 1
Br Br1 1.02464(3) -0.22602(3) 0.706163(15) 0.02625(7) Uani d . 1
Re Re1 1.015147(9) 0.000364(9) 0.801968(5) 0.01501(5) Uani d . 1
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'
Br Br -0.2901 2.4595 '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_publ_flag
O1 C1 Re1 172.9(2) n
O2 C2 Re1 173.2(2) n
O3 C3 Re1 176.4(2) n
C5 C4 P1 115.43(18) n
C5 C4 H4A 108.4 n
P1 C4 H4A 108.4 n
C5 C4 H4B 108.4 n
P1 C4 H4B 108.4 n
H4A C4 H4B 107.5 n
C6 C5 C10 119.8(3) n
C6 C5 C4 121.1(3) n
C10 C5 C4 119.1(3) n
C5 C6 C7 119.1(4) n
C5 C6 H6 120.4 n
C7 C6 H6 120.4 n
C8 C7 C6 119.0(4) n
C8 C7 H7 120.5 n
C6 C7 H7 120.5 n
C9 C8 C7 121.4(4) n
C9 C8 H8 119.3 n
C7 C8 H8 119.3 n
C8 C9 C10 119.8(4) n
C8 C9 H9 120.1 n
C10 C9 H9 120.1 n
C9 C10 C5 120.9(4) n
C9 C10 H10 119.6 n
C5 C10 H10 119.6 n
C12 C11 P1 116.92(17) n
C12 C11 H11A 108.1 n
P1 C11 H11A 108.1 n
C12 C11 H11B 108.1 n
P1 C11 H11B 108.1 n
H11A C11 H11B 107.3 n
C17 C12 C13 118.4(2) n
C17 C12 C11 122.7(2) n
C13 C12 C11 118.9(2) n
C14 C13 C12 120.7(3) n
C14 C13 H13 119.6 n
C12 C13 H13 119.6 n
C15 C14 C13 120.2(3) n
C15 C14 H14 119.9 n
C13 C14 H14 119.9 n
C14 C15 C16 119.8(3) n
C14 C15 H15 120.1 n
C16 C15 H15 120.1 n
C15 C16 C17 119.9(3) n
C15 C16 H16 120.1 n
C17 C16 H16 120.1 n
C12 C17 C16 121.0(3) n
C12 C17 H17 119.5 n
C16 C17 H17 119.5 n
C19 C18 P1 116.85(17) n
C19 C18 H18A 108.1 n
P1 C18 H18A 108.1 n
C19 C18 H18B 108.1 n
P1 C18 H18B 108.1 n
H18A C18 H18B 107.3 n
C20 C19 C24 117.7(2) n
C20 C19 C18 120.5(2) n
C24 C19 C18 121.7(2) n
C21 C20 C19 121.2(3) n
C21 C20 H20 119.4 n
C19 C20 H20 119.4 n
C22 C21 C20 120.0(3) n
C22 C21 H21 120.0 n
C20 C21 H21 120.0 n
C21 C22 C23 119.9(3) n
C21 C22 H22 120.0 n
C23 C22 H22 120.0 n
C22 C23 C24 119.8(3) n
C22 C23 H23 120.1 n
C24 C23 H23 120.1 n
C23 C24 C19 121.3(2) n
C23 C24 H24 119.3 n
C19 C24 H24 119.3 n
C26 C25 P2 117.58(18) n
C26 C25 H25A 107.9 n
P2 C25 H25A 107.9 n
C26 C25 H25B 107.9 n
P2 C25 H25B 107.9 n
H25A C25 H25B 107.2 n
C27 C26 C31 118.2(2) n
C27 C26 C25 122.4(2) n
C31 C26 C25 119.4(2) n
C28 C27 C26 120.8(3) n
C28 C27 H27 119.6 n
C26 C27 H27 119.6 n
C29 C28 C27 120.2(3) n
C29 C28 H28 119.9 n
C27 C28 H28 119.9 n
C30 C29 C28 119.5(3) n
C30 C29 H29 120.3 n
C28 C29 H29 120.3 n
C29 C30 C31 120.5(3) n
C29 C30 H30 119.7 n
C31 C30 H30 119.7 n
C30 C31 C26 120.8(3) n
C30 C31 H31 119.6 n
C26 C31 H31 119.6 n
C33 C32 P2 116.41(18) n
C33 C32 H32A 108.2 n
P2 C32 H32A 108.2 n
C33 C32 H32B 108.2 n
P2 C32 H32B 108.2 n
H32A C32 H32B 107.3 n
C38 C33 C34 118.3(3) n
C38 C33 C32 122.3(3) n
C34 C33 C32 119.4(3) n
C35 C34 C33 120.6(3) n
C35 C34 H34 119.7 n
C33 C34 H34 119.7 n
C36 C35 C34 120.4(3) n
C36 C35 H35 119.8 n
C34 C35 H35 119.8 n
C37 C36 C35 119.9(3) n
C37 C36 H36 120.1 n
C35 C36 H36 120.1 n
C36 C37 C38 119.9(3) n
C36 C37 H37 120.1 n
C38 C37 H37 120.1 n
C33 C38 C37 120.9(3) n
C33 C38 H38 119.5 n
C37 C38 H38 119.5 n
C40 C39 P2 118.06(18) n
C40 C39 H39A 107.8 n
P2 C39 H39A 107.8 n
C40 C39 H39B 107.8 n
P2 C39 H39B 107.8 n
H39A C39 H39B 107.1 n
C41 C40 C45 117.9(3) n
C41 C40 C39 120.2(3) n
C45 C40 C39 121.9(3) n
C42 C41 C40 121.0(3) n
C42 C41 H41 119.5 n
C40 C41 H41 119.5 n
C43 C42 C41 120.3(3) n
C43 C42 H42 119.8 n
C41 C42 H42 119.8 n
C44 C43 C42 119.2(3) n
C44 C43 H43 120.4 n
C42 C43 H43 120.4 n
C43 C44 C45 120.5(3) n
C43 C44 H44 119.7 n
C45 C44 H44 119.7 n
C44 C45 C40 121.1(3) n
C44 C45 H45 119.5 n
C40 C45 H45 119.5 n
C18 P1 C11 103.78(12) n
C18 P1 C4 102.14(12) n
C11 P1 C4 104.09(12) n
C18 P1 Re1 120.77(9) n
C11 P1 Re1 114.05(9) n
C4 P1 Re1 110.19(9) n
C25 P2 C32 104.72(13) n
C25 P2 C39 103.24(13) n
C32 P2 C39 103.34(12) n
C25 P2 Re1 117.55(8) n
C32 P2 Re1 112.68(9) n
C39 P2 Re1 113.82(9) n
C2 Re1 C3 93.80(11) y
C2 Re1 C1 85.52(11) y
C3 Re1 C1 86.38(12) y
C2 Re1 P2 92.78(8) y
C3 Re1 P2 85.19(8) y
C1 Re1 P2 171.28(9) y
C2 Re1 P1 96.39(8) y
C3 Re1 P1 169.03(8) y
C1 Re1 P1 90.37(9) y
P2 Re1 P1 98.32(2) y
C2 Re1 Br1 173.81(8) y
C3 Re1 Br1 88.40(8) y
C1 Re1 Br1 88.85(9) y
P2 Re1 Br1 93.160(18) y
P1 Re1 Br1 81.055(18) y
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
C1 O1 1.156(4) n
C1 Re1 1.942(3) n
C2 O2 1.156(3) n
C2 Re1 1.906(3) n
C3 O3 1.149(3) n
C3 Re1 1.929(3) n
C4 C5 1.507(4) n
C4 P1 1.874(2) n
C4 H4A 0.9900 n
C4 H4B 0.9900 n
C5 C6 1.376(5) n
C5 C10 1.398(4) n
C6 C7 1.414(5) n
C6 H6 0.9500 n
C7 C8 1.393(7) n
C7 H7 0.9500 n
C8 C9 1.350(7) n
C8 H8 0.9500 n
C9 C10 1.369(5) n
C9 H9 0.9500 n
C10 H10 0.9500 n
C11 C12 1.512(4) n
C11 P1 1.862(3) n
C11 H11A 0.9900 n
C11 H11B 0.9900 n
C12 C17 1.385(4) n
C12 C13 1.399(4) n
C13 C14 1.386(4) n
C13 H13 0.9500 n
C14 C15 1.382(5) n
C14 H14 0.9500 n
C15 C16 1.385(4) n
C15 H15 0.9500 n
C16 C17 1.394(4) n
C16 H16 0.9500 n
C17 H17 0.9500 n
C18 C19 1.510(4) n
C18 P1 1.856(3) n
C18 H18A 0.9900 n
C18 H18B 0.9900 n
C19 C20 1.391(4) n
C19 C24 1.395(4) n
C20 C21 1.389(4) n
C20 H20 0.9500 n
C21 C22 1.381(4) n
C21 H21 0.9500 n
C22 C23 1.381(4) n
C22 H22 0.9500 n
C23 C24 1.388(4) n
C23 H23 0.9500 n
C24 H24 0.9500 n
C25 C26 1.510(4) n
C25 P2 1.846(3) n
C25 H25A 0.9900 n
C25 H25B 0.9900 n
C26 C27 1.393(4) n
C26 C31 1.397(4) n
C27 C28 1.392(4) n
C27 H27 0.9500 n
C28 C29 1.386(4) n
C28 H28 0.9500 n
C29 C30 1.382(4) n
C29 H29 0.9500 n
C30 C31 1.385(4) n
C30 H30 0.9500 n
C31 H31 0.9500 n
C32 C33 1.515(3) n
C32 P2 1.854(3) n
C32 H32A 0.9900 n
C32 H32B 0.9900 n
C33 C38 1.391(4) n
C33 C34 1.391(4) n
C34 C35 1.391(4) n
C34 H34 0.9500 n
C35 C36 1.378(5) n
C35 H35 0.9500 n
C36 C37 1.377(5) n
C36 H36 0.9500 n
C37 C38 1.395(4) n
C37 H37 0.9500 n
C38 H38 0.9500 n
C39 C40 1.506(4) n
C39 P2 1.862(3) n
C39 H39A 0.9900 n
C39 H39B 0.9900 n
C40 C41 1.389(4) n
C40 C45 1.392(4) n
C41 C42 1.386(5) n
C41 H41 0.9500 n
C42 C43 1.385(5) n
C42 H42 0.9500 n
C43 C44 1.375(5) n
C43 H43 0.9500 n
C44 C45 1.383(4) n
C44 H44 0.9500 n
C45 H45 0.9500 n
P1 Re1 2.5005(7) n
P2 Re1 2.4931(7) n
Br1 Re1 2.6508(4) n
