# Electronic Supplementary Material (ESI) for Chemical Science.
# This journal is © The Royal Society of Chemistry 2014

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#                                CCDC 
# 
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# 
#  This CIF contains data from an original supplementary publication
#  deposited with the CCDC, and may include chemical, crystal,
#  experimental, refinement, atomic coordinates,
#  anisotropic displacement parameters and molecular geometry data,
#  as required by the journal to which it was submitted.
#
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#  fide research purposes only. It may contain copyright material
#  of the CCDC or of third parties, and may not be copied or further
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#  from this site to visualise CIF-encoded structures and 
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data_m1370a
# Data Collected and refined by Yael Diskin-Posner
# The extra residual density is located next to one of the phosphor atoms between the two t-Butyls 
_audit_creation_method           SHELXL-97
_chemical_name_systematic        
; 
 ? 
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C26 H42 N O4 P2 Re, C H2 Cl2'
_chemical_formula_sum            'C27 H44 Cl2 N O4 P2 Re'
_chemical_formula_weight         765.67

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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           Monoclinic
_symmetry_space_group_name_H-M   P2(1)/c
_symmetry_space_group_name_Hall  -P2ybc

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   13.23210(10)
_cell_length_b                   15.70480(10)
_cell_length_c                   16.7382(2)
_cell_angle_alpha                90.00
_cell_angle_beta                 114.8330(5)
_cell_angle_gamma                90.00
_cell_volume                     3156.70(5)
_cell_formula_units_Z            4
_cell_measurement_temperature    120(2)
_cell_measurement_reflns_used    9124
_cell_measurement_theta_min      1.00
_cell_measurement_theta_max      29.58

_exptl_crystal_description       prism
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.611
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1536
_exptl_absorpt_coefficient_mu    4.152
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.6816
_exptl_absorpt_correction_T_max  0.8193
_exptl_absorpt_process_details   'SHELXL-97 (Sheldrick, 1997)'

_exptl_special_details           
; 
 ? 
;

_diffrn_ambient_temperature      120(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_monochromator  graphite
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'Omega and phi scans'
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            8863
_diffrn_reflns_av_R_equivalents  0.057
_diffrn_reflns_av_sigmaI/netI    0.0415
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_theta_min         2.59
_diffrn_reflns_theta_max         29.57
_reflns_number_total             8863
_reflns_number_gt                7051
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'Collect package Nonius'
_computing_cell_refinement       HKL
_computing_data_reduction        HKL
_computing_structure_solution    'SIR-97 (Altmore et al, 1994)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_refine_special_details          
; 
 Refinement of F² against ALL reflections.  The weighted R-factor wR and 
 goodness of fit S are based on F², conventional R-factors R are based 
 on F, with F set to zero for negative F². The threshold expression of 
 F² > 2sigma(F²) is used only for calculating R-factors(gt) etc. and is 
 not relevant to the choice of reflections for refinement.  R-factors based 
 on F² are statistically about twice as large as those based on F, and R- 
 factors based on ALL data will be even larger. 
;

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'calc w=1/[σ²(Fo²)+(0.0494P)²+5.4269P] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         8863
_refine_ls_number_parameters     347
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0529
_refine_ls_R_factor_gt           0.0384
_refine_ls_wR_factor_ref         0.0995
_refine_ls_wR_factor_gt          0.0939
_refine_ls_goodness_of_fit_ref   1.109
_refine_ls_restrained_S_all      1.109
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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 0.133210(12) 0.152049(9) 0.354066(10) 0.01477(6) Uani 1 1 d . . .
P1 P 0.30816(8) 0.18062(7) 0.47927(7) 0.01634(19) Uani 1 1 d . . .
P2 P -0.02254(8) 0.07160(6) 0.25210(7) 0.01612(19) Uani 1 1 d . . .
N1 N 0.1532(3) 0.03182(19) 0.4230(2) 0.0153(6) Uani 1 1 d . . .
C1 C 0.3483(3) 0.0662(2) 0.4792(3) 0.0179(8) Uani 1 1 d . . .
H1 H 0.4227 0.0525 0.5274 0.021 Uiso 1 1 calc R . .
C2 C 0.2568(3) 0.0086(2) 0.4792(3) 0.0176(8) Uani 1 1 d . . .
C3 C 0.2773(4) -0.0668(3) 0.5269(3) 0.0235(9) Uani 1 1 d . . .
H3 H 0.3506 -0.0815 0.5677 0.028 Uiso 1 1 calc R . .
C4 C 0.1887(4) -0.1196(3) 0.5135(3) 0.0241(9) Uani 1 1 d . . .
H4 H 0.2003 -0.1708 0.5465 0.029 Uiso 1 1 calc R . .
C5 C 0.0825(4) -0.0988(3) 0.4522(3) 0.0218(8) Uani 1 1 d . . .
H5 H 0.0217 -0.1361 0.4418 0.026 Uiso 1 1 calc R . .
C6 C 0.0660(3) -0.0226(2) 0.4061(3) 0.0174(8) Uani 1 1 d . . .
C7 C -0.0443(3) 0.0027(2) 0.3335(3) 0.0189(8) Uani 1 1 d . . .
H7A H -0.0890 0.0337 0.3590 0.023 Uiso 1 1 calc R . .
H7B H -0.0860 -0.0489 0.3038 0.023 Uiso 1 1 calc R . .
C8 C 0.3154(4) 0.2015(3) 0.5924(3) 0.0228(9) Uani 1 1 d . . .
C9 C 0.2463(4) 0.1330(3) 0.6130(3) 0.0276(10) Uani 1 1 d . . .
H9A H 0.2863 0.0786 0.6251 0.041 Uiso 1 1 calc R . .
H9B H 0.1742 0.1265 0.5624 0.041 Uiso 1 1 calc R . .
H9C H 0.2344 0.1503 0.6647 0.041 Uiso 1 1 calc R . .
C10 C 0.2615(4) 0.2879(3) 0.5945(3) 0.0275(9) Uani 1 1 d . . .
H10A H 0.2606 0.2959 0.6523 0.041 Uiso 1 1 calc R . .
H10B H 0.1851 0.2890 0.5487 0.041 Uiso 1 1 calc R . .
H10C H 0.3047 0.3337 0.5840 0.041 Uiso 1 1 calc R . .
C11 C 0.4342(4) 0.1980(3) 0.6647(3) 0.0323(11) Uani 1 1 d . . .
H11A H 0.4773 0.2458 0.6576 0.048 Uiso 1 1 calc R . .
H11B H 0.4692 0.1442 0.6604 0.048 Uiso 1 1 calc R . .
H11C H 0.4321 0.2016 0.7225 0.048 Uiso 1 1 calc R . .
C12 C 0.4235(3) 0.2425(3) 0.4657(3) 0.0215(8) Uani 1 1 d . . .
C13 C 0.5393(4) 0.2045(3) 0.5182(3) 0.0310(10) Uani 1 1 d . . .
H13A H 0.5935 0.2332 0.5017 0.046 Uiso 1 1 calc R . .
H13B H 0.5380 0.1435 0.5052 0.046 Uiso 1 1 calc R . .
H13C H 0.5604 0.2124 0.5813 0.046 Uiso 1 1 calc R . .
C14 C 0.4036(4) 0.2439(3) 0.3682(3) 0.0325(11) Uani 1 1 d . . .
H14A H 0.4600 0.2799 0.3613 0.049 Uiso 1 1 calc R . .
H14B H 0.3294 0.2670 0.3325 0.049 Uiso 1 1 calc R . .
H14C H 0.4089 0.1859 0.3488 0.049 Uiso 1 1 calc R . .
C15 C 0.4210(4) 0.3362(3) 0.4922(4) 0.0336(11) Uani 1 1 d . . .
H15A H 0.4405 0.3394 0.5554 0.050 Uiso 1 1 calc R . .
H15B H 0.3462 0.3594 0.4592 0.050 Uiso 1 1 calc R . .
H15C H 0.4748 0.3692 0.4787 0.050 Uiso 1 1 calc R . .
C16 C 0.0072(3) -0.0023(3) 0.1747(3) 0.0203(8) Uani 1 1 d . . .
C17 C 0.0625(4) 0.0500(3) 0.1267(3) 0.0254(9) Uani 1 1 d . . .
H17A H 0.1286 0.0786 0.1700 0.038 Uiso 1 1 calc R . .
H17B H 0.0098 0.0927 0.0893 0.038 Uiso 1 1 calc R . .
H17C H 0.0843 0.0122 0.0902 0.038 Uiso 1 1 calc R . .
C18 C 0.0909(4) -0.0696(3) 0.2310(3) 0.0225(8) Uani 1 1 d . . .
H18A H 0.0578 -0.1029 0.2636 0.034 Uiso 1 1 calc R . .
H18B H 0.1586 -0.0414 0.2726 0.034 Uiso 1 1 calc R . .
H18C H 0.1096 -0.1076 0.1928 0.034 Uiso 1 1 calc R . .
C19 C -0.0933(4) -0.0507(3) 0.1076(3) 0.0252(9) Uani 1 1 d . . .
H19A H -0.0678 -0.0926 0.0768 0.038 Uiso 1 1 calc R . .
H19B H -0.1442 -0.0103 0.0650 0.038 Uiso 1 1 calc R . .
H19C H -0.1321 -0.0799 0.1383 0.038 Uiso 1 1 calc R . .
C20 C -0.1638(3) 0.1233(3) 0.1899(3) 0.0238(9) Uani 1 1 d . . .
C21 C -0.1642(4) 0.1685(3) 0.1082(3) 0.0325(11) Uani 1 1 d . . .
H21A H -0.1661 0.1259 0.0648 0.049 Uiso 1 1 calc R . .
H21B H -0.0967 0.2032 0.1253 0.049 Uiso 1 1 calc R . .
H21C H -0.2300 0.2052 0.0824 0.049 Uiso 1 1 calc R . .
C22 C -0.2605(4) 0.0607(3) 0.1642(3) 0.0338(11) Uani 1 1 d . . .
H22A H -0.2594 0.0336 0.2174 0.051 Uiso 1 1 calc R . .
H22B H -0.2532 0.0170 0.1252 0.051 Uiso 1 1 calc R . .
H22C H -0.3310 0.0912 0.1337 0.051 Uiso 1 1 calc R . .
C23 C -0.1805(4) 0.1926(3) 0.2483(3) 0.0297(10) Uani 1 1 d . . .
H23A H -0.2555 0.2166 0.2185 0.045 Uiso 1 1 calc R . .
H23B H -0.1253 0.2378 0.2590 0.045 Uiso 1 1 calc R . .
H23C H -0.1714 0.1675 0.3045 0.045 Uiso 1 1 calc R . .
O1 O 0.2579(2) 0.08487(17) 0.32248(17) 0.0172(5) Uani 1 1 d . . .
C24 C 0.3446(3) 0.0543(3) 0.3852(3) 0.0188(8) Uani 1 1 d . . .
O2 O 0.4208(3) 0.0164(2) 0.3767(2) 0.0282(7) Uani 1 1 d . . .
C25 C 0.1169(3) 0.2472(2) 0.2798(3) 0.0190(8) Uani 1 1 d . . .
O3 O 0.1047(3) 0.30262(19) 0.2307(2) 0.0285(7) Uani 1 1 d . . .
C26 C 0.0454(3) 0.2063(2) 0.4029(3) 0.0176(8) Uani 1 1 d . . .
O4 O -0.0037(3) 0.24032(19) 0.4380(2) 0.0248(6) Uani 1 1 d . . .
C27 C 0.6451(6) 0.4710(5) 0.3235(5) 0.0601(19) Uani 1 1 d . . .
H27A H 0.7032 0.5118 0.3600 0.072 Uiso 1 1 calc R . .
H27B H 0.6357 0.4770 0.2619 0.072 Uiso 1 1 calc R . .
Cl1 Cl 0.69077(18) 0.36450(16) 0.36092(16) 0.0926(8) Uani 1 1 d . . .
Cl2 Cl 0.5199(2) 0.49625(17) 0.3291(2) 0.1195(12) Uani 1 1 d . . .


_geom_special_details            
; 
 All esds (except the esd in the dihedral angle between two l.s. planes) 
 are estimated using the full covariance matrix.  The cell esds are taken 
 into account individually in the estimation of esds in distances, angles 
 and torsion angles; correlations between esds in cell parameters are only 
 used when they are defined by crystal symmetry.  An approximate (isotropic) 
 treatment of cell esds is used for estimating esds involving l.s. planes. 
;

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 C26 1.882(4) . ?
Re1 C25 1.898(4) . ?
Re1 N1 2.170(3) . ?
Re1 O1 2.202(3) . ?
Re1 P2 2.4087(10) . ?
Re1 P1 2.4243(10) . ?
P1 C1 1.874(4) . ?
P1 C8 1.884(4) . ?
P1 C12 1.902(4) . ?
P2 C7 1.855(4) . ?
P2 C20 1.898(4) . ?
P2 C16 1.900(4) . ?
N1 C2 1.347(5) . ?
N1 C6 1.367(5) . ?
C1 C2 1.510(6) . ?
C1 C24 1.565(5) . ?
C1 H1 1.0000 . ?
C2 C3 1.390(6) . ?
C3 C4 1.376(6) . ?
C3 H3 0.9500 . ?
C4 C5 1.387(6) . ?
C4 H4 0.9500 . ?
C5 C6 1.390(5) . ?
C5 H5 0.9500 . ?
C6 C7 1.508(6) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C8 C11 1.530(7) . ?
C8 C10 1.540(6) . ?
C8 C9 1.541(6) . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 H11A 0.9800 . ?
C11 H11B 0.9800 . ?
C11 H11C 0.9800 . ?
C12 C13 1.531(6) . ?
C12 C14 1.540(6) . ?
C12 C15 1.541(6) . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 H14A 0.9800 . ?
C14 H14B 0.9800 . ?
C14 H14C 0.9800 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 C17 1.532(6) . ?
C16 C19 1.533(6) . ?
C16 C18 1.534(6) . ?
C17 H17A 0.9800 . ?
C17 H17B 0.9800 . ?
C17 H17C 0.9800 . ?
C18 H18A 0.9800 . ?
C18 H18B 0.9800 . ?
C18 H18C 0.9800 . ?
C19 H19A 0.9800 . ?
C19 H19B 0.9800 . ?
C19 H19C 0.9800 . ?
C20 C22 1.526(6) . ?
C20 C21 1.539(6) . ?
C20 C23 1.539(6) . ?
C21 H21A 0.9800 . ?
C21 H21B 0.9800 . ?
C21 H21C 0.9800 . ?
C22 H22A 0.9800 . ?
C22 H22B 0.9800 . ?
C22 H22C 0.9800 . ?
C23 H23A 0.9800 . ?
C23 H23B 0.9800 . ?
C23 H23C 0.9800 . ?
O1 C24 1.279(5) . ?
C24 O2 1.229(5) . ?
C25 O3 1.160(5) . ?
C26 O4 1.172(5) . ?
C27 Cl2 1.745(7) . ?
C27 Cl1 1.799(8) . ?
C27 H27A 0.9900 . ?
C27 H27B 0.9900 . ?

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
C26 Re1 C25 90.39(16) . . ?
C26 Re1 N1 97.07(14) . . ?
C25 Re1 N1 171.29(14) . . ?
C26 Re1 O1 169.37(14) . . ?
C25 Re1 O1 96.35(13) . . ?
N1 Re1 O1 76.94(11) . . ?
C26 Re1 P2 92.56(12) . . ?
C25 Re1 P2 96.94(13) . . ?
N1 Re1 P2 78.31(9) . . ?
O1 Re1 P2 94.76(8) . . ?
C26 Re1 P1 94.61(12) . . ?
C25 Re1 P1 103.02(13) . . ?
N1 Re1 P1 80.94(9) . . ?
O1 Re1 P1 75.90(7) . . ?
P2 Re1 P1 158.72(3) . . ?
C1 P1 C8 105.80(18) . . ?
C1 P1 C12 104.37(18) . . ?
C8 P1 C12 109.08(19) . . ?
C1 P1 Re1 89.41(13) . . ?
C8 P1 Re1 121.87(14) . . ?
C12 P1 Re1 120.94(13) . . ?
C7 P2 C20 103.39(19) . . ?
C7 P2 C16 106.57(18) . . ?
C20 P2 C16 109.02(19) . . ?
C7 P2 Re1 97.81(13) . . ?
C20 P2 Re1 121.11(14) . . ?
C16 P2 Re1 116.29(13) . . ?
C2 N1 C6 119.9(3) . . ?
C2 N1 Re1 117.9(3) . . ?
C6 N1 Re1 122.0(3) . . ?
C2 C1 C24 104.0(3) . . ?
C2 C1 P1 110.3(3) . . ?
C24 C1 P1 103.1(3) . . ?
C2 C1 H1 112.9 . . ?
C24 C1 H1 112.9 . . ?
P1 C1 H1 112.9 . . ?
N1 C2 C3 121.9(4) . . ?
N1 C2 C1 114.7(3) . . ?
C3 C2 C1 123.2(4) . . ?
C4 C3 C2 118.2(4) . . ?
C4 C3 H3 120.9 . . ?
C2 C3 H3 120.9 . . ?
C3 C4 C5 120.5(4) . . ?
C3 C4 H4 119.7 . . ?
C5 C4 H4 119.7 . . ?
C4 C5 C6 119.2(4) . . ?
C4 C5 H5 120.4 . . ?
C6 C5 H5 120.4 . . ?
N1 C6 C5 120.1(4) . . ?
N1 C6 C7 116.7(3) . . ?
C5 C6 C7 123.1(4) . . ?
C6 C7 P2 110.4(3) . . ?
C6 C7 H7A 109.6 . . ?
P2 C7 H7A 109.6 . . ?
C6 C7 H7B 109.6 . . ?
P2 C7 H7B 109.6 . . ?
H7A C7 H7B 108.1 . . ?
C11 C8 C10 110.2(4) . . ?
C11 C8 C9 107.9(4) . . ?
C10 C8 C9 106.6(3) . . ?
C11 C8 P1 113.0(3) . . ?
C10 C8 P1 110.3(3) . . ?
C9 C8 P1 108.6(3) . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C8 C11 H11A 109.5 . . ?
C8 C11 H11B 109.5 . . ?
H11A C11 H11B 109.5 . . ?
C8 C11 H11C 109.5 . . ?
H11A C11 H11C 109.5 . . ?
H11B C11 H11C 109.5 . . ?
C13 C12 C14 107.4(4) . . ?
C13 C12 C15 110.1(4) . . ?
C14 C12 C15 106.0(4) . . ?
C13 C12 P1 113.1(3) . . ?
C14 C12 P1 110.2(3) . . ?
C15 C12 P1 109.7(3) . . ?
C12 C13 H13A 109.5 . . ?
C12 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C12 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C12 C14 H14A 109.5 . . ?
C12 C14 H14B 109.5 . . ?
H14A C14 H14B 109.5 . . ?
C12 C14 H14C 109.5 . . ?
H14A C14 H14C 109.5 . . ?
H14B C14 H14C 109.5 . . ?
C12 C15 H15A 109.5 . . ?
C12 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C12 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C17 C16 C19 109.8(3) . . ?
C17 C16 C18 108.2(3) . . ?
C19 C16 C18 106.8(3) . . ?
C17 C16 P2 108.1(3) . . ?
C19 C16 P2 115.9(3) . . ?
C18 C16 P2 107.8(3) . . ?
C16 C17 H17A 109.5 . . ?
C16 C17 H17B 109.5 . . ?
H17A C17 H17B 109.5 . . ?
C16 C17 H17C 109.5 . . ?
H17A C17 H17C 109.5 . . ?
H17B C17 H17C 109.5 . . ?
C16 C18 H18A 109.5 . . ?
C16 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C16 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
C16 C19 H19A 109.5 . . ?
C16 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C16 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C22 C20 C21 111.0(4) . . ?
C22 C20 C23 107.9(4) . . ?
C21 C20 C23 106.9(4) . . ?
C22 C20 P2 113.2(3) . . ?
C21 C20 P2 108.6(3) . . ?
C23 C20 P2 109.0(3) . . ?
C20 C21 H21A 109.5 . . ?
C20 C21 H21B 109.5 . . ?
H21A C21 H21B 109.5 . . ?
C20 C21 H21C 109.5 . . ?
H21A C21 H21C 109.5 . . ?
H21B C21 H21C 109.5 . . ?
C20 C22 H22A 109.5 . . ?
C20 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C20 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
C20 C23 H23A 109.5 . . ?
C20 C23 H23B 109.5 . . ?
H23A C23 H23B 109.5 . . ?
C20 C23 H23C 109.5 . . ?
H23A C23 H23C 109.5 . . ?
H23B C23 H23C 109.5 . . ?
C24 O1 Re1 119.2(2) . . ?
O2 C24 O1 125.7(4) . . ?
O2 C24 C1 119.5(4) . . ?
O1 C24 C1 114.7(3) . . ?
O3 C25 Re1 176.5(4) . . ?
O4 C26 Re1 175.9(4) . . ?
Cl2 C27 Cl1 112.3(4) . . ?
Cl2 C27 H27A 109.1 . . ?
Cl1 C27 H27A 109.1 . . ?
Cl2 C27 H27B 109.1 . . ?
Cl1 C27 H27B 109.1 . . ?
H27A C27 H27B 107.9 . . ?

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
C26 Re1 P1 C1 131.61(16) . . . . ?
C25 Re1 P1 C1 -136.92(17) . . . . ?
N1 Re1 P1 C1 35.17(14) . . . . ?
O1 Re1 P1 C1 -43.54(14) . . . . ?
P2 Re1 P1 C1 22.32(16) . . . . ?
C26 Re1 P1 C8 23.3(2) . . . . ?
C25 Re1 P1 C8 114.8(2) . . . . ?
N1 Re1 P1 C8 -73.15(19) . . . . ?
O1 Re1 P1 C8 -151.85(18) . . . . ?
P2 Re1 P1 C8 -86.00(19) . . . . ?
C26 Re1 P1 C12 -121.9(2) . . . . ?
C25 Re1 P1 C12 -30.5(2) . . . . ?
N1 Re1 P1 C12 141.62(18) . . . . ?
O1 Re1 P1 C12 62.92(17) . . . . ?
P2 Re1 P1 C12 128.77(17) . . . . ?
C26 Re1 P2 C7 -67.67(17) . . . . ?
C25 Re1 P2 C7 -158.38(17) . . . . ?
N1 Re1 P2 C7 29.02(15) . . . . ?
O1 Re1 P2 C7 104.62(15) . . . . ?
P1 Re1 P2 C7 41.98(16) . . . . ?
C26 Re1 P2 C20 43.2(2) . . . . ?
C25 Re1 P2 C20 -47.5(2) . . . . ?
N1 Re1 P2 C20 139.87(19) . . . . ?
O1 Re1 P2 C20 -144.54(18) . . . . ?
P1 Re1 P2 C20 152.83(18) . . . . ?
C26 Re1 P2 C16 179.45(18) . . . . ?
C25 Re1 P2 C16 88.74(18) . . . . ?
N1 Re1 P2 C16 -83.86(17) . . . . ?
O1 Re1 P2 C16 -8.27(16) . . . . ?
P1 Re1 P2 C16 -70.90(17) . . . . ?
C26 Re1 N1 C2 -116.7(3) . . . . ?
O1 Re1 N1 C2 54.4(3) . . . . ?
P2 Re1 N1 C2 152.1(3) . . . . ?
P1 Re1 N1 C2 -23.1(3) . . . . ?
C26 Re1 N1 C6 68.1(3) . . . . ?
O1 Re1 N1 C6 -120.8(3) . . . . ?
P2 Re1 N1 C6 -23.1(3) . . . . ?
P1 Re1 N1 C6 161.7(3) . . . . ?
C8 P1 C1 C2 71.4(3) . . . . ?
C12 P1 C1 C2 -173.6(3) . . . . ?
Re1 P1 C1 C2 -51.7(3) . . . . ?
C8 P1 C1 C24 -178.1(3) . . . . ?
C12 P1 C1 C24 -63.0(3) . . . . ?
Re1 P1 C1 C24 58.8(2) . . . . ?
C6 N1 C2 C3 -5.5(6) . . . . ?
Re1 N1 C2 C3 179.2(3) . . . . ?
C6 N1 C2 C1 168.8(3) . . . . ?
Re1 N1 C2 C1 -6.5(4) . . . . ?
C24 C1 C2 N1 -65.6(4) . . . . ?
P1 C1 C2 N1 44.3(4) . . . . ?
C24 C1 C2 C3 108.6(4) . . . . ?
P1 C1 C2 C3 -141.5(3) . . . . ?
N1 C2 C3 C4 2.0(6) . . . . ?
C1 C2 C3 C4 -171.9(4) . . . . ?
C2 C3 C4 C5 1.7(6) . . . . ?
C3 C4 C5 C6 -1.8(6) . . . . ?
C2 N1 C6 C5 5.3(5) . . . . ?
Re1 N1 C6 C5 -179.6(3) . . . . ?
C2 N1 C6 C7 -172.0(3) . . . . ?
Re1 N1 C6 C7 3.1(4) . . . . ?
C4 C5 C6 N1 -1.7(6) . . . . ?
C4 C5 C6 C7 175.4(4) . . . . ?
N1 C6 C7 P2 26.8(4) . . . . ?
C5 C6 C7 P2 -150.4(3) . . . . ?
C20 P2 C7 C6 -162.8(3) . . . . ?
C16 P2 C7 C6 82.3(3) . . . . ?
Re1 P2 C7 C6 -38.2(3) . . . . ?
C1 P1 C8 C11 67.6(4) . . . . ?
C12 P1 C8 C11 -44.2(4) . . . . ?
Re1 P1 C8 C11 167.0(3) . . . . ?
C1 P1 C8 C10 -168.5(3) . . . . ?
C12 P1 C8 C10 79.7(3) . . . . ?
Re1 P1 C8 C10 -69.1(3) . . . . ?
C1 P1 C8 C9 -52.0(3) . . . . ?
C12 P1 C8 C9 -163.8(3) . . . . ?
Re1 P1 C8 C9 47.4(3) . . . . ?
C1 P1 C12 C13 -39.7(3) . . . . ?
C8 P1 C12 C13 73.0(3) . . . . ?
Re1 P1 C12 C13 -137.8(3) . . . . ?
C1 P1 C12 C14 80.5(3) . . . . ?
C8 P1 C12 C14 -166.8(3) . . . . ?
Re1 P1 C12 C14 -17.6(4) . . . . ?
C1 P1 C12 C15 -163.1(3) . . . . ?
C8 P1 C12 C15 -50.4(4) . . . . ?
Re1 P1 C12 C15 98.8(3) . . . . ?
C7 P2 C16 C17 -161.7(3) . . . . ?
C20 P2 C16 C17 87.3(3) . . . . ?
Re1 P2 C16 C17 -53.9(3) . . . . ?
C7 P2 C16 C19 74.5(3) . . . . ?
C20 P2 C16 C19 -36.5(4) . . . . ?
Re1 P2 C16 C19 -177.7(3) . . . . ?
C7 P2 C16 C18 -45.0(3) . . . . ?
C20 P2 C16 C18 -156.0(3) . . . . ?
Re1 P2 C16 C18 62.8(3) . . . . ?
C7 P2 C20 C22 -45.1(4) . . . . ?
C16 P2 C20 C22 68.0(4) . . . . ?
Re1 P2 C20 C22 -152.9(3) . . . . ?
C7 P2 C20 C21 -168.8(3) . . . . ?
C16 P2 C20 C21 -55.7(4) . . . . ?
Re1 P2 C20 C21 83.3(3) . . . . ?
C7 P2 C20 C23 75.0(3) . . . . ?
C16 P2 C20 C23 -171.9(3) . . . . ?
Re1 P2 C20 C23 -32.9(4) . . . . ?
C26 Re1 O1 C24 4.2(8) . . . . ?
C25 Re1 O1 C24 133.3(3) . . . . ?
N1 Re1 O1 C24 -52.3(3) . . . . ?
P2 Re1 O1 C24 -129.1(3) . . . . ?
P1 Re1 O1 C24 31.5(3) . . . . ?
Re1 O1 C24 O2 -179.1(3) . . . . ?
Re1 O1 C24 C1 2.3(4) . . . . ?
C2 C1 C24 O2 -109.9(4) . . . . ?
P1 C1 C24 O2 135.0(4) . . . . ?
C2 C1 C24 O1 68.8(4) . . . . ?
P1 C1 C24 O1 -46.3(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.998
_diffrn_reflns_theta_full        29.57
_diffrn_measured_fraction_theta_full 0.998
_refine_diff_density_max         4.512
_refine_diff_density_min         -1.711
_refine_diff_density_rms         0.170



_database_code_depnum_ccdc_archive 'CCDC 973497'
