# Electronic Supplementary Material (ESI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2016

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
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data_Saldias_et_al
_database_code_depnum_ccdc_archive 'CCDC 1446679'
_audit_update_record             
;
2016-12-15 deposited with the CCDC.
2016-12-16 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         '(C46 H40 Br2 Cl2 N4 O8 P2 Re2) (C H Cl3)'
_chemical_formula_sum            'C94 H82 Br4 Cl10 N8 O16 P4 Re4'
_chemical_formula_weight         3122.50

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'
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'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 21/n'
_space_group_name_Hall           '-P 2yn'

loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
-1.00 1.00 0.00 0.0110
1.00 -1.00 0.00 0.0140
1.00 0.00 -2.00 0.0500
-1.00 0.00 2.00 0.0230
-1.00 2.00 2.00 0.0140
-1.00 -2.00 1.00 0.0250
2.00 1.00 1.00 0.0250
-2.00 -1.00 -1.00 0.0340
0.00 1.00 0.00 0.0270

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

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

_cell_length_a                   14.610(2)
_cell_length_b                   16.549(3)
_cell_length_c                   14.945(2)
_cell_angle_alpha                90
_cell_angle_beta                 106.963(2)
_cell_angle_gamma                90
_cell_volume                     3456.2(9)
_cell_formula_units_Z            1
_cell_measurement_temperature    296(2)
_cell_measurement_reflns_used    3123
_cell_measurement_theta_min      2.32
_cell_measurement_theta_max      17.02

_exptl_crystal_description       plate
_exptl_crystal_colour            'pale orange'
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    1.500
_exptl_crystal_F_000             1499
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_min          0.029
_exptl_crystal_size_mid          0.083
_exptl_crystal_size_max          0.105
_exptl_absorpt_coefficient_mu    4.937
_shelx_estimated_absorpt_T_min   0.404
_shelx_estimated_absorpt_T_max   0.759
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_correction_T_min  0.3112
_exptl_absorpt_correction_T_max  0.6756
_exptl_absorpt_process_details   'Sadabs, Bruker'
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      296(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            25618
_diffrn_reflns_av_unetI/netI     0.1187
_diffrn_reflns_av_R_equivalents  0.1528
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_theta_min         1.715
_diffrn_reflns_theta_max         26.000
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measured_fraction_theta_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_point_group_measured_fraction_full 0.999
_reflns_number_total             6779
_reflns_number_gt                3733
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 Structure factors included contributions from the .fab file.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       'Bruker SMART'
_computing_cell_refinement       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_structure_solution    'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_refine_special_details          ', SQUEEZE'
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0804P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   geom
_refine_ls_hydrogen_treatment    constr
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         6779
_refine_ls_number_parameters     298
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1230
_refine_ls_R_factor_gt           0.0644
_refine_ls_wR_factor_ref         0.1685
_refine_ls_wR_factor_gt          0.1467
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_restrained_S_all      0.999
_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Re1 Re 1.11846(3) 0.06773(3) 0.25856(3) 0.04603(18) Uani 1 1 d . . . . .
Br1 Br 1.16577(10) 0.03489(8) 0.43946(8) 0.0633(4) Uani 1 1 d . . . . .
P1 P 0.9476(2) 0.07851(17) 0.25590(19) 0.0444(7) Uani 1 1 d . . . . .
N1 N 1.1011(7) -0.0638(6) 0.2325(6) 0.052(3) Uani 1 1 d . . . . .
C7 C 0.8779(7) -0.0134(7) 0.2241(7) 0.044(3) Uani 1 1 d . . . . .
C20 C 0.9248(8) 0.1118(7) 0.3636(7) 0.046(3) Uani 1 1 d . . . . .
H20A H 0.8563 0.1134 0.3541 0.055 Uiso 1 1 calc R U . . .
H20B H 0.9519 0.0727 0.4126 0.055 Uiso 1 1 calc R U . . .
Cl1 Cl 1.1779(3) -0.0653(2) 0.0934(3) 0.0888(12) Uani 1 1 d . . . . .
C21 C 0.9669(9) 0.1945(7) 0.3955(7) 0.054(3) Uani 1 1 d . . . . .
H21A H 0.9419 0.2330 0.3453 0.065 Uiso 1 1 calc R U . . .
H21B H 1.0357 0.1921 0.4073 0.065 Uiso 1 1 calc R U . . .
C1 C 0.8754(9) 0.1498(7) 0.1711(8) 0.050(3) Uani 1 1 d . . . . .
C12 C 0.8332(10) -0.0495(8) 0.2824(9) 0.069(4) Uani 1 1 d . . . . .
H12 H 0.8371 -0.0274 0.3407 0.082 Uiso 1 1 calc R U . . .
O4 O 1.0193(8) -0.2200(5) 0.3534(6) 0.083(3) Uani 1 1 d . . . . .
N2 N 1.0645(7) -0.1035(5) 0.2936(6) 0.047(2) Uani 1 1 d . . . . .
O17 O 1.1589(7) 0.2440(6) 0.3047(6) 0.082(3) Uani 1 1 d . . . . .
C16 C 1.0524(10) -0.1817(7) 0.2908(8) 0.062(4) Uani 1 1 d . . . . .
C8 C 0.8761(10) -0.0483(7) 0.1380(8) 0.062(4) Uani 1 1 d . . . . .
H8 H 0.9078 -0.0249 0.0989 0.074 Uiso 1 1 calc R U . . .
C17 C 1.1413(9) 0.1769(6) 0.2876(8) 0.054(3) Uani 1 1 d . . . . .
O19 O 1.0605(8) 0.1119(6) 0.0519(6) 0.083(3) Uani 1 1 d . . . . .
C18 C 1.2567(14) 0.0622(9) 0.2648(12) 0.089(5) Uani 1 1 d . . . . .
O18 O 1.3356(9) 0.0686(9) 0.2698(12) 0.145(6) Uani 1 1 d . . . . .
C22 C 0.9448(9) 0.2258(7) 0.4849(7) 0.057(3) Uani 1 1 d . . . . .
H22A H 0.9679 0.2809 0.4972 0.069 Uiso 1 1 calc R U . . .
H22B H 0.8760 0.2265 0.4743 0.069 Uiso 1 1 calc R U . . .
C2 C 0.9151(11) 0.2198(8) 0.1462(9) 0.075(4) Uani 1 1 d . . . . .
H2 H 0.9796 0.2330 0.1698 0.090 Uiso 1 1 calc R U . . .
C19 C 1.0837(9) 0.0937(8) 0.1322(9) 0.056(3) Uani 1 1 d . . . . .
C13 C 1.1231(9) -0.1107(8) 0.1675(8) 0.056(3) Uani 1 1 d . . . . .
C11 C 0.7812(12) -0.1209(11) 0.2517(11) 0.104(6) Uani 1 1 d . . . . .
H11 H 0.7456 -0.1430 0.2882 0.124 Uiso 1 1 calc R U . . .
C14 C 1.1094(11) -0.1916(7) 0.1585(9) 0.073(4) Uani 1 1 d . . . . .
H14 H 1.1266 -0.2193 0.1118 0.087 Uiso 1 1 calc R U . . .
C6 C 0.7783(10) 0.1399(9) 0.1329(10) 0.079(4) Uani 1 1 d . . . . .
H6 H 0.7482 0.0944 0.1477 0.095 Uiso 1 1 calc R U . . .
C9 C 0.8240(11) -0.1204(10) 0.1139(10) 0.089(5) Uani 1 1 d . . . . .
H9 H 0.8190 -0.1425 0.0554 0.106 Uiso 1 1 calc R U . . .
C5 C 0.7241(12) 0.1987(11) 0.0711(11) 0.099(6) Uani 1 1 d . . . . .
H5 H 0.6588 0.1886 0.0475 0.119 Uiso 1 1 calc R U . . .
C4 C 0.7540(12) 0.2638(12) 0.0439(11) 0.089(6) Uani 1 1 d . . . . .
H4 H 0.7146 0.3010 0.0040 0.107 Uiso 1 1 calc R U . . .
C15 C 1.0721(12) -0.2309(8) 0.2154(9) 0.087(5) Uani 1 1 d . . . . .
H15 H 1.0588 -0.2859 0.2089 0.104 Uiso 1 1 calc R U . . .
C10 C 0.7806(13) -0.1599(12) 0.1693(11) 0.124(8) Uani 1 1 d . . . . .
H10 H 0.7520 -0.2102 0.1533 0.149 Uiso 1 1 calc R U . . .
C23 C 0.9888(10) 0.1762(7) 0.5666(7) 0.064(4) Uani 1 1 d . . . . .
H23A H 0.9562 0.1246 0.5619 0.076 Uiso 1 1 calc R U . . .
H23B H 1.0556 0.1663 0.5716 0.076 Uiso 1 1 calc R U . . .
C3 C 0.8438(18) 0.2719(9) 0.0775(10) 0.114(8) Uani 1 1 d . . . . .
H3 H 0.8695 0.3170 0.0565 0.136 Uiso 1 1 calc R U . . .


_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 C19 1.858(13) . y
Re1 C17 1.865(11) . y
Re1 C18 1.996(19) . y
Re1 N1 2.213(10) . y
Re1 P1 2.491(3) . y
Re1 Br1 2.6442(13) . y
Re1 Re1 9.1467(14) 3_756 y
P1 C7 1.815(11) . ?
P1 C20 1.821(10) . ?
P1 C1 1.825(11) . ?
N1 C13 1.353(13) . ?
N1 N2 1.355(11) . ?
C7 C12 1.369(14) . ?
C7 C8 1.404(14) . ?
C20 C21 1.520(15) . ?
C20 H20A 0.9700 . ?
C20 H20B 0.9700 . ?
Cl1 C13 1.717(11) . ?
C21 C22 1.553(14) . ?
C21 H21A 0.9700 . ?
C21 H21B 0.9700 . ?
C1 C6 1.376(17) . ?
C1 C2 1.394(16) . ?
C12 C11 1.408(19) . ?
C12 H12 0.9300 . ?
O4 C16 1.332(13) . ?
O4 C23 1.434(12) 3_756 ?
N2 C16 1.306(13) . ?
O17 C17 1.152(12) . ?
C16 C15 1.485(15) . ?
C8 C9 1.405(17) . ?
C8 H8 0.9300 . ?
O19 C19 1.187(13) . ?
C18 O18 1.138(18) . ?
C22 C23 1.456(15) . ?
C22 H22A 0.9700 . ?
C22 H22B 0.9700 . ?
C2 C3 1.50(2) . ?
C2 H2 0.9300 . ?
C13 C14 1.353(16) . ?
C11 C10 1.39(2) . ?
C11 H11 0.9300 . ?
C14 C15 1.309(16) . ?
C14 H14 0.9300 . ?
C6 C5 1.414(19) . ?
C6 H6 0.9300 . ?
C9 C10 1.350(19) . ?
C9 H9 0.9300 . ?
C5 C4 1.27(2) . ?
C5 H5 0.9300 . ?
C4 C3 1.27(2) . ?
C4 H4 0.9300 . ?
C15 H15 0.9300 . ?
C10 H10 0.9300 . ?
C23 O4 1.434(12) 3_756 ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C3 H3 0.9300 . ?

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
C19 Re1 C17 89.4(5) . . y
C19 Re1 C18 91.8(6) . . y
C17 Re1 C18 85.6(6) . . y
C19 Re1 N1 93.8(4) . . y
C17 Re1 N1 175.8(5) . . y
C18 Re1 N1 91.5(5) . . y
C19 Re1 P1 89.5(4) . . y
C17 Re1 P1 92.6(4) . . y
C18 Re1 P1 177.7(5) . . y
N1 Re1 P1 90.3(3) . . y
C19 Re1 Br1 178.3(4) . . y
C17 Re1 Br1 89.2(4) . . y
C18 Re1 Br1 89.1(5) . . y
N1 Re1 Br1 87.7(2) . . y
P1 Re1 Br1 89.59(7) . . y
C7 P1 C20 104.6(5) . . ?
C7 P1 C1 101.2(5) . . ?
C20 P1 C1 101.6(5) . . ?
C7 P1 Re1 115.3(4) . . ?
C20 P1 Re1 116.6(4) . . ?
C1 P1 Re1 115.5(4) . . ?
C13 N1 N2 115.4(9) . . ?
C13 N1 Re1 130.7(7) . . ?
N2 N1 Re1 113.9(6) . . ?
C12 C7 C8 121.3(11) . . ?
C12 C7 P1 122.3(9) . . ?
C8 C7 P1 116.3(9) . . ?
C21 C20 P1 112.8(7) . . ?
C21 C20 H20A 109.0 . . ?
P1 C20 H20A 109.0 . . ?
C21 C20 H20B 109.0 . . ?
P1 C20 H20B 109.0 . . ?
H20A C20 H20B 107.8 . . ?
C20 C21 C22 113.8(9) . . ?
C20 C21 H21A 108.8 . . ?
C22 C21 H21A 108.8 . . ?
C20 C21 H21B 108.8 . . ?
C22 C21 H21B 108.8 . . ?
H21A C21 H21B 107.7 . . ?
C6 C1 C2 116.6(12) . . ?
C6 C1 P1 121.9(10) . . ?
C2 C1 P1 121.4(10) . . ?
C7 C12 C11 118.1(12) . . ?
C7 C12 H12 121.0 . . ?
C11 C12 H12 121.0 . . ?
C16 O4 C23 118.7(9) . 3_756 ?
C16 N2 N1 122.3(9) . . ?
N2 C16 O4 121.5(9) . . ?
N2 C16 C15 120.9(11) . . ?
O4 C16 C15 117.6(10) . . ?
C9 C8 C7 116.6(12) . . ?
C9 C8 H8 121.7 . . ?
C7 C8 H8 121.7 . . ?
O17 C17 Re1 177.3(11) . . ?
O18 C18 Re1 172.0(14) . . ?
C23 C22 C21 112.4(9) . . ?
C23 C22 H22A 109.1 . . ?
C21 C22 H22A 109.1 . . ?
C23 C22 H22B 109.1 . . ?
C21 C22 H22B 109.1 . . ?
H22A C22 H22B 107.9 . . ?
C1 C2 C3 113.5(15) . . ?
C1 C2 H2 123.2 . . ?
C3 C2 H2 123.2 . . ?
O19 C19 Re1 178.5(11) . . ?
N1 C13 C14 125.4(11) . . ?
N1 C13 Cl1 117.7(9) . . ?
C14 C13 Cl1 116.9(9) . . ?
C10 C11 C12 122.9(13) . . ?
C10 C11 H11 118.6 . . ?
C12 C11 H11 118.6 . . ?
C15 C14 C13 120.3(12) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C1 C6 C5 120.2(14) . . ?
C1 C6 H6 119.9 . . ?
C5 C6 H6 119.9 . . ?
C10 C9 C8 124.8(13) . . ?
C10 C9 H9 117.6 . . ?
C8 C9 H9 117.6 . . ?
C4 C5 C6 127.7(16) . . ?
C4 C5 H5 116.1 . . ?
C6 C5 H5 116.1 . . ?
C3 C4 C5 112.0(17) . . ?
C3 C4 H4 124.0 . . ?
C5 C4 H4 124.0 . . ?
C14 C15 C16 115.5(11) . . ?
C14 C15 H15 122.3 . . ?
C16 C15 H15 122.3 . . ?
C9 C10 C11 115.9(14) . . ?
C9 C10 H10 122.0 . . ?
C11 C10 H10 122.0 . . ?
O4 C23 C22 106.8(9) 3_756 . ?
O4 C23 H23A 110.4 3_756 . ?
C22 C23 H23A 110.4 . . ?
O4 C23 H23B 110.4 3_756 . ?
C22 C23 H23B 110.4 . . ?
H23A C23 H23B 108.6 . . ?
C4 C3 C2 129.9(18) . . ?
C4 C3 H3 115.1 . . ?
C2 C3 H3 115.1 . . ?

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
C20 P1 C7 C12 -8.5(11) . . . . ?
C1 P1 C7 C12 -113.7(10) . . . . ?
Re1 P1 C7 C12 120.9(9) . . . . ?
C20 P1 C7 C8 174.6(9) . . . . ?
C1 P1 C7 C8 69.4(10) . . . . ?
Re1 P1 C7 C8 -56.0(10) . . . . ?
C7 P1 C20 C21 -172.5(8) . . . . ?
C1 P1 C20 C21 -67.6(9) . . . . ?
Re1 P1 C20 C21 58.9(9) . . . . ?
P1 C20 C21 C22 177.6(8) . . . . ?
C7 P1 C1 C6 26.9(12) . . . . ?
C20 P1 C1 C6 -80.7(11) . . . . ?
Re1 P1 C1 C6 152.1(9) . . . . ?
C7 P1 C1 C2 -157.0(10) . . . . ?
C20 P1 C1 C2 95.4(10) . . . . ?
Re1 P1 C1 C2 -31.8(11) . . . . ?
C8 C7 C12 C11 -3(2) . . . . ?
P1 C7 C12 C11 -179.7(11) . . . . ?
C13 N1 N2 C16 0.8(16) . . . . ?
Re1 N1 N2 C16 -177.7(9) . . . . ?
N1 N2 C16 O4 177.7(11) . . . . ?
N1 N2 C16 C15 -4.3(19) . . . . ?
C23 O4 C16 N2 -10(2) 3_756 . . . ?
C23 O4 C16 C15 172.2(12) 3_756 . . . ?
C12 C7 C8 C9 1.8(19) . . . . ?
P1 C7 C8 C9 178.7(11) . . . . ?
C20 C21 C22 C23 64.7(15) . . . . ?
C6 C1 C2 C3 -2.1(16) . . . . ?
P1 C1 C2 C3 -178.4(8) . . . . ?
N2 N1 C13 C14 1.5(19) . . . . ?
Re1 N1 C13 C14 179.7(10) . . . . ?
N2 N1 C13 Cl1 -175.3(8) . . . . ?
Re1 N1 C13 Cl1 2.9(16) . . . . ?
C7 C12 C11 C10 6(3) . . . . ?
N1 C13 C14 C15 0(2) . . . . ?
Cl1 C13 C14 C15 176.9(13) . . . . ?
C2 C1 C6 C5 0(2) . . . . ?
P1 C1 C6 C5 176.8(11) . . . . ?
C7 C8 C9 C10 -4(3) . . . . ?
C1 C6 C5 C4 0(3) . . . . ?
C6 C5 C4 C3 2(3) . . . . ?
C13 C14 C15 C16 -3(2) . . . . ?
N2 C16 C15 C14 6(2) . . . . ?
O4 C16 C15 C14 -176.4(14) . . . . ?
C8 C9 C10 C11 6(3) . . . . ?
C12 C11 C10 C9 -7(3) . . . . ?
C21 C22 C23 O4 168.0(10) . . . 3_756 ?
C5 C4 C3 C2 -4(3) . . . . ?
C1 C2 C3 C4 4(2) . . . . ?

loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.159 0.335 0.030 1282 610 ' '
_platon_squeeze_void_probe_radius 1.20
_platon_squeeze_details          ?

_refine_diff_density_max         0.862
_refine_diff_density_min         -1.166
_refine_diff_density_rms         0.149



_exptl_crystal_recrystallization_method 
'Re-crystallisation from solvent: Chloroform'
_exptl_crystal_preparation       ', Luminescent'
