# Supplementary Information (SI) for Dalton Transactions.
# This journal is © The Royal Society of Chemistry 2024

####################################################################### 
# 
# 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. 
# 
#######################################################################

data_re_tp2_auto
_database_code_depnum_ccdc_archive 'CCDC 2333273'
loop_
_audit_author_name
_audit_author_address
'Dr. Samya Banerjee'
;Indian Institute of Technology (BHU)
India
;
_audit_update_record             
;
2024-06-20 deposited with the CCDC.	2024-07-25 downloaded from the CCDC.
;
_audit_creation_date             2024-06-11
_audit_creation_method           
;
Olex2 1.5
(compiled 2024.02.16 svn.r378c4104 for OlexSys, GUI svn.r6928)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C32 H19 Cl N3 O3 Re, 0.334[C7H8]'
_chemical_formula_sum            'C34.33 H21.67 Cl N3 O3 Re'
_chemical_formula_weight         745.83
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_H-M_alt        'P -1'
_space_group_name_Hall           '-P 1'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   7.7233(2)
_cell_length_b                   13.4308(4)
_cell_length_c                   14.3953(5)
_cell_angle_alpha                89.027(2)
_cell_angle_beta                 82.586(3)
_cell_angle_gamma                79.332(2)
_cell_volume                     1455.11(8)
_cell_formula_units_Z            2
_cell_measurement_reflns_used    10771
_cell_measurement_temperature    293
_cell_measurement_theta_max      25.0740
_cell_measurement_theta_min      2.6960
_shelx_estimated_absorpt_T_max   0.958
_shelx_estimated_absorpt_T_min   0.882
_exptl_absorpt_coefficient_mu    4.308
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.47940
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
CrysAlisPro 1.171.42.83a (Rigaku Oxford Diffraction, 2023)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            'metallic reddish brown'
_exptl_crystal_colour_lustre     metallic
_exptl_crystal_colour_modifier   reddish
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.702
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             729
_exptl_crystal_size_max          0.03
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0691
_diffrn_reflns_av_unetI/netI     0.0748
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.982
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21186
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.982
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         2.706
_diffrn_ambient_temperature      293.00
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix3000
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_details      
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω     44.00  76.00   0.50    3.54    --   11.61-148.00  86.00   64
  2  ω     20.00  60.00   0.50    3.54    --   11.61-124.00-108.00   80
  3  ω    -23.00   3.00   0.50    3.54    --  -11.38 -99.00-120.00   52
  4  ω    -23.00  23.00   0.50    3.54    --  -11.38 -99.00 -60.00   92
  5  ω    -79.00  10.00   0.50    3.54    --  -11.38 -57.00  30.00  178
  6  ω    -76.00 -23.00   0.50    3.54    --  -11.38 -77.00-150.00  106
  7  ω    -20.00   6.00   0.50    3.54    --  -11.38 -77.00   0.00   52
  8  ω    -78.00 -28.00   0.50    3.54    --  -11.38 -77.00   0.00  100
  9  ω    -17.00   8.00   0.50    3.54    --  -11.38 -99.00   0.00   50
 10  ω    -75.00 -50.00   0.50    3.54    --  -11.38 -38.00 -90.00   50
 11  ω     -9.00  16.00   0.50    3.54    --  -11.38 -77.00-150.00   50
 12  ω    -61.00   4.00   0.50    3.54    --  -11.38 -38.00-180.00  130
 13  ω    -14.00  22.00   0.50    3.54    --  -11.38 -99.00  90.00   72
 14  ω    -69.00  13.00   0.50    3.54    --  -11.38 -77.00  30.00  164
 15  ω     -6.00  19.00   0.50    3.54    --  -11.38 -99.00-180.00   50
 16  ω    -35.00 -10.00   0.50    3.54    --  -11.38 -38.00 -90.00   50
 17  ω    -16.00  10.00   0.50    3.54    --  -11.38 -99.00 120.00   52
 18  ω    -38.00   0.00   0.50    3.54    --   11.61 -19.00-150.00   76
 19  ω    -28.00  -3.00   0.50    3.54    --   11.61 -19.00  30.00   50
 20  ω     13.00  42.00   0.50    3.54    --   11.61-125.00 150.00   58
 21  ω     12.00  37.00   0.50    3.54    --   11.61-125.00  30.00   50
 22  ω    -60.00 -34.00   0.50    3.54    --   11.61 -19.00  30.00   52
 23  ω    -15.00  19.00   0.50    3.54    --   11.61 -38.00 120.00   68
 24  ω    -50.00 -24.00   0.50    3.54    --   11.61 -38.00 120.00   52
 25  ω    -48.00  28.00   0.50    3.54    --   11.61 -57.00 -90.00  152
 26  ω    -61.00 -30.00   0.50    3.54    --   11.61 -19.00 -90.00   62
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy, Dualflex, HyPix3000'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3706
_reflns_number_total             5030
_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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'CrysAlisPro 1.171.42.83a (Rigaku OD, 2023)'
_computing_data_collection       'CrysAlisPro 1.171.42.83a (Rigaku OD, 2023)'
_computing_data_reduction        'CrysAlisPro 1.171.42.83a (Rigaku OD, 2023)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'ShelXT (Sheldrick, 2015)'
_refine_diff_density_max         1.105
_refine_diff_density_min         -0.715
_refine_diff_density_rms         0.125
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.044
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     331
_refine_ls_number_reflns         5030
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0743
_refine_ls_R_factor_gt           0.0508
_refine_ls_restrained_S_all      1.044
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0544P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1070
_refine_ls_wR_factor_ref         0.1153
_refine_special_details          ?
_olex2_refinement_description    
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
2. Uiso/Uaniso restraints and constraints
Uanis(C20) = Uanis(C19) = Uanis(C18) = Uanis(C17) = Uanis(C22) = Uanis(C21)
3.a Aromatic/amide H refined with riding coordinates:
 C4(H4), C1(H1), C3(H3), C9(H9), C12(H12), C15(H15), C7(H7), C2(H2), C14(H14),
 C13(H13), C23(H23), C18(H18), C25(H25), C28(H28), C21(H21), C20(H20), C27(H27),
  C19(H19), C26(H26)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
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 0.37622(4) 0.37663(2) 0.27825(2) 0.05496(16) Uani 1 1 d . . . . .
Cl1 Cl 0.1372(3) 0.50957(17) 0.22989(15) 0.0669(6) Uani 1 1 d . . . . .
N2 N 0.5177(8) 0.5067(5) 0.2652(5) 0.0497(16) Uani 1 1 d . . . . .
N1 N 0.8156(9) 0.3624(5) 0.1785(5) 0.0590(18) Uani 1 1 d . . . . .
N3 N 0.3113(8) 0.4561(5) 0.4116(5) 0.0596(18) Uani 1 1 d . . . . .
O2 O 0.6738(9) 0.2176(5) 0.3408(5) 0.089(2) Uani 1 1 d . . . . .
O3 O 0.4510(10) 0.2969(5) 0.0766(5) 0.097(2) Uani 1 1 d . . . . .
O1 O 0.1336(9) 0.2226(5) 0.3240(5) 0.099(2) Uani 1 1 d . . . . .
C6 C 0.6322(10) 0.5264(6) 0.1905(6) 0.055(2) Uani 1 1 d . . . . .
C5 C 0.7397(10) 0.4423(6) 0.1302(6) 0.053(2) Uani 1 1 d . . . . .
C11 C 0.3432(10) 0.5523(7) 0.4137(6) 0.058(2) Uani 1 1 d . . . . .
C10 C 0.4477(10) 0.5811(6) 0.3269(6) 0.0512(19) Uani 1 1 d . . . . .
C31 C 0.5644(12) 0.2782(6) 0.3175(6) 0.064(2) Uani 1 1 d . . . . .
C4 C 0.7701(13) 0.4480(7) 0.0345(7) 0.077(3) Uani 1 1 d . . . . .
H4 H 0.716467 0.504239 0.003282 0.092 Uiso 1 1 calc R U . . .
C32 C 0.4270(12) 0.3254(7) 0.1531(7) 0.067(3) Uani 1 1 d . . . . .
C1 C 0.9264(12) 0.2907(7) 0.1281(7) 0.072(3) Uani 1 1 d . . . . .
H1 H 0.984291 0.236125 0.159752 0.087 Uiso 1 1 calc R U . . .
C3 C 0.8818(13) 0.3687(8) -0.0150(7) 0.080(3) Uani 1 1 d . . . . .
H3 H 0.901468 0.368854 -0.080141 0.096 Uiso 1 1 calc R U . . .
C9 C 0.4771(11) 0.6790(6) 0.3124(7) 0.066(2) Uani 1 1 d . . . . .
H9 H 0.429025 0.728923 0.357285 0.080 Uiso 1 1 calc R U . . .
C12 C 0.2924(11) 0.6124(7) 0.4916(7) 0.069(2) Uani 1 1 d . . . . .
H12 H 0.315352 0.677935 0.491384 0.082 Uiso 1 1 calc R U . . .
C15 C 0.2283(11) 0.4208(8) 0.4913(7) 0.073(3) Uani 1 1 d . . . . .
H15 H 0.207326 0.354765 0.491289 0.087 Uiso 1 1 calc R U . . .
C7 C 0.6606(11) 0.6246(6) 0.1711(7) 0.070(2) Uani 1 1 d . . . . .
H7 H 0.734862 0.637557 0.117864 0.084 Uiso 1 1 calc R U . . .
C8 C 0.5770(11) 0.7027(6) 0.2320(7) 0.065(2) Uani 1 1 d . . . . .
C2 C 0.9613(13) 0.2911(7) 0.0343(7) 0.079(3) Uani 1 1 d . . . . .
H2 H 1.040399 0.237728 0.003262 0.095 Uiso 1 1 calc R U . . .
C30 C 0.2249(12) 0.2818(7) 0.3048(6) 0.071(3) Uani 1 1 d . . . . .
C14 C 0.1746(11) 0.4772(9) 0.5706(7) 0.075(3) Uani 1 1 d . . . . .
H14 H 0.117579 0.450410 0.623462 0.091 Uiso 1 1 calc R U . . .
C13 C 0.2057(11) 0.5744(9) 0.5715(7) 0.080(3) Uani 1 1 d . . . . .
H13 H 0.169391 0.614513 0.625033 0.096 Uiso 1 1 calc R U . . .
C29 C 0.4784(16) 0.8735(7) 0.1658(7) 0.090(3) Uani 1 1 d . . . . .
C16 C 0.6056(14) 0.8122(6) 0.2151(7) 0.083(3) Uani 1 1 d . . . . .
C17 C 0.7410(17) 0.8445(10) 0.2496(14) 0.170(3) Uani 1 1 d . . . . .
C22 C 0.7515(17) 0.9493(10) 0.2389(15) 0.170(3) Uani 1 1 d . . . . .
C23 C 0.6308(19) 1.0104(9) 0.1958(9) 0.127(5) Uani 1 1 d . . . . .
H23 H 0.641540 1.078188 0.190141 0.153 Uiso 1 1 calc R U . . .
C24 C 0.488(2) 0.9809(8) 0.1578(8) 0.118(4) Uani 1 1 d . . . . .
C18 C 0.8650(16) 0.7828(9) 0.2904(12) 0.170(3) Uani 1 1 d . . . . .
H18 H 0.863049 0.713796 0.291924 0.204 Uiso 1 1 calc R U . . .
C25 C 0.366(3) 1.0449(9) 0.1081(11) 0.169(7) Uani 1 1 d . . . . .
H25 H 0.376969 1.112259 0.098332 0.202 Uiso 1 1 calc R U . . .
C28 C 0.3371(19) 0.8417(8) 0.1267(9) 0.141(6) Uani 1 1 d . . . . .
H28 H 0.323288 0.774447 0.132231 0.169 Uiso 1 1 calc R U . . .
C21 C 0.8848(16) 0.9889(10) 0.2733(13) 0.170(3) Uani 1 1 d . . . . .
H21 H 0.891128 1.057116 0.265550 0.204 Uiso 1 1 calc R U . . .
C20 C 1.0049(16) 0.9267(9) 0.3181(13) 0.170(3) Uani 1 1 d . . . . .
H20 H 1.094305 0.952612 0.341562 0.204 Uiso 1 1 calc R U . . .
C27 C 0.224(3) 0.9072(11) 0.0822(12) 0.214(10) Uani 1 1 d . . . . .
H27 H 0.135454 0.884163 0.055375 0.257 Uiso 1 1 calc R U . . .
C19 C 0.9967(15) 0.8176(9) 0.3307(12) 0.170(3) Uani 1 1 d . . . . .
H19 H 1.075700 0.774814 0.363755 0.204 Uiso 1 1 calc R U . . .
C26 C 0.237(3) 1.0088(11) 0.0751(12) 0.239(12) Uani 1 1 d . . . . .
H26 H 0.152220 1.052999 0.046551 0.287 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 Cl1 2.480(2) . ?
Re1 N2 2.219(6) . ?
Re1 N3 2.167(7) . ?
Re1 C31 1.912(10) . ?
Re1 C32 1.906(11) . ?
Re1 C30 1.885(9) . ?
N2 C6 1.356(10) . ?
N2 C10 1.336(9) . ?
N1 C5 1.352(9) . ?
N1 C1 1.321(10) . ?
N3 C11 1.362(10) . ?
N3 C15 1.362(10) . ?
O2 C31 1.139(9) . ?
O3 C32 1.153(10) . ?
O1 C30 1.165(9) . ?
C6 C5 1.490(11) . ?
C6 C7 1.395(10) . ?
C5 C4 1.371(11) . ?
C11 C10 1.483(10) . ?
C11 C12 1.365(11) . ?
C10 C9 1.384(10) . ?
C4 H4 0.9300 . ?
C4 C3 1.383(12) . ?
C1 H1 0.9300 . ?
C1 C2 1.342(12) . ?
C3 H3 0.9300 . ?
C3 C2 1.348(12) . ?
C9 H9 0.9300 . ?
C9 C8 1.373(11) . ?
C12 H12 0.9300 . ?
C12 C13 1.393(12) . ?
C15 H15 0.9300 . ?
C15 C14 1.357(12) . ?
C7 H7 0.9300 . ?
C7 C8 1.385(12) . ?
C8 C16 1.538(11) . ?
C2 H2 0.9300 . ?
C14 H14 0.9300 . ?
C14 C13 1.371(13) . ?
C13 H13 0.9300 . ?
C29 C16 1.416(13) . ?
C29 C24 1.459(13) . ?
C29 C28 1.425(14) . ?
C16 C17 1.356(15) . ?
C17 C22 1.429(17) . ?
C17 C18 1.336(18) . ?
C22 C23 1.333(17) . ?
C22 C21 1.390(16) . ?
C23 H23 0.9300 . ?
C23 C24 1.416(16) . ?
C24 C25 1.407(17) . ?
C18 H18 0.9300 . ?
C18 C19 1.387(15) . ?
C25 H25 0.9300 . ?
C25 C26 1.33(2) . ?
C28 H28 0.9300 . ?
C28 C27 1.337(14) . ?
C21 H21 0.9300 . ?
C21 C20 1.351(19) . ?
C20 H20 0.9300 . ?
C20 C19 1.485(16) . ?
C27 H27 0.9300 . ?
C27 C26 1.387(18) . ?
C19 H19 0.9300 . ?
C26 H26 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
N2 Re1 Cl1 80.40(16) . . ?
N3 Re1 Cl1 83.62(16) . . ?
N3 Re1 N2 73.8(3) . . ?
C31 Re1 Cl1 177.8(2) . . ?
C31 Re1 N2 97.6(3) . . ?
C31 Re1 N3 94.9(3) . . ?
C32 Re1 Cl1 89.8(3) . . ?
C32 Re1 N2 100.4(3) . . ?
C32 Re1 N3 171.8(3) . . ?
C32 Re1 C31 91.5(4) . . ?
C30 Re1 Cl1 93.6(3) . . ?
C30 Re1 N2 169.4(3) . . ?
C30 Re1 N3 97.0(3) . . ?
C30 Re1 C31 88.3(3) . . ?
C30 Re1 C32 88.2(4) . . ?
C6 N2 Re1 125.9(5) . . ?
C10 N2 Re1 113.4(5) . . ?
C10 N2 C6 118.7(7) . . ?
C1 N1 C5 115.9(8) . . ?
C11 N3 Re1 117.1(6) . . ?
C15 N3 Re1 125.3(7) . . ?
C15 N3 C11 117.4(8) . . ?
N2 C6 C5 120.5(7) . . ?
N2 C6 C7 121.3(8) . . ?
C7 C6 C5 118.1(8) . . ?
N1 C5 C6 114.0(7) . . ?
N1 C5 C4 122.6(8) . . ?
C4 C5 C6 123.2(8) . . ?
N3 C11 C10 113.5(8) . . ?
N3 C11 C12 121.9(8) . . ?
C12 C11 C10 124.5(8) . . ?
N2 C10 C11 116.6(7) . . ?
N2 C10 C9 121.8(8) . . ?
C9 C10 C11 121.6(8) . . ?
O2 C31 Re1 178.1(7) . . ?
C5 C4 H4 120.5 . . ?
C5 C4 C3 118.9(8) . . ?
C3 C4 H4 120.5 . . ?
O3 C32 Re1 177.1(9) . . ?
N1 C1 H1 117.7 . . ?
N1 C1 C2 124.6(9) . . ?
C2 C1 H1 117.7 . . ?
C4 C3 H3 121.1 . . ?
C2 C3 C4 117.8(9) . . ?
C2 C3 H3 121.1 . . ?
C10 C9 H9 119.9 . . ?
C8 C9 C10 120.1(8) . . ?
C8 C9 H9 119.9 . . ?
C11 C12 H12 120.3 . . ?
C11 C12 C13 119.3(9) . . ?
C13 C12 H12 120.3 . . ?
N3 C15 H15 118.4 . . ?
C14 C15 N3 123.2(9) . . ?
C14 C15 H15 118.4 . . ?
C6 C7 H7 120.4 . . ?
C8 C7 C6 119.3(8) . . ?
C8 C7 H7 120.4 . . ?
C9 C8 C7 118.3(7) . . ?
C9 C8 C16 120.0(8) . . ?
C7 C8 C16 121.6(8) . . ?
C1 C2 C3 120.1(9) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
O1 C30 Re1 177.7(8) . . ?
C15 C14 H14 120.6 . . ?
C15 C14 C13 118.9(9) . . ?
C13 C14 H14 120.6 . . ?
C12 C13 H13 120.3 . . ?
C14 C13 C12 119.4(10) . . ?
C14 C13 H13 120.3 . . ?
C16 C29 C24 117.0(11) . . ?
C16 C29 C28 126.5(9) . . ?
C28 C29 C24 116.5(11) . . ?
C29 C16 C8 115.0(9) . . ?
C17 C16 C8 120.0(10) . . ?
C17 C16 C29 124.9(10) . . ?
C16 C17 C22 117.4(13) . . ?
C18 C17 C16 123.1(12) . . ?
C18 C17 C22 119.5(13) . . ?
C23 C22 C17 119.6(13) . . ?
C23 C22 C21 119.2(14) . . ?
C21 C22 C17 121.1(15) . . ?
C22 C23 H23 117.3 . . ?
C22 C23 C24 125.4(12) . . ?
C24 C23 H23 117.3 . . ?
C23 C24 C29 115.5(12) . . ?
C25 C24 C29 119.4(13) . . ?
C25 C24 C23 124.9(13) . . ?
C17 C18 H18 118.7 . . ?
C17 C18 C19 122.6(13) . . ?
C19 C18 H18 118.7 . . ?
C24 C25 H25 120.1 . . ?
C26 C25 C24 119.9(13) . . ?
C26 C25 H25 120.1 . . ?
C29 C28 H28 119.5 . . ?
C27 C28 C29 120.9(11) . . ?
C27 C28 H28 119.5 . . ?
C22 C21 H21 120.6 . . ?
C20 C21 C22 118.8(13) . . ?
C20 C21 H21 120.6 . . ?
C21 C20 H20 119.4 . . ?
C21 C20 C19 121.2(12) . . ?
C19 C20 H20 119.4 . . ?
C28 C27 H27 119.3 . . ?
C28 C27 C26 121.3(14) . . ?
C26 C27 H27 119.3 . . ?
C18 C19 C20 116.5(13) . . ?
C18 C19 H19 121.8 . . ?
C20 C19 H19 121.8 . . ?
C25 C26 C27 121.8(15) . . ?
C25 C26 H26 119.1 . . ?
C27 C26 H26 119.1 . . ?

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
Re1 N2 C6 C5 -29.2(9) . . . . ?
Re1 N2 C6 C7 154.6(6) . . . . ?
Re1 N2 C10 C11 23.5(8) . . . . ?
Re1 N2 C10 C9 -159.1(6) . . . . ?
Re1 N3 C11 C10 -10.2(8) . . . . ?
Re1 N3 C11 C12 173.9(5) . . . . ?
Re1 N3 C15 C14 -173.3(6) . . . . ?
N2 C6 C5 N1 -45.1(9) . . . . ?
N2 C6 C5 C4 139.5(8) . . . . ?
N2 C6 C7 C8 3.3(12) . . . . ?
N2 C10 C9 C8 1.5(12) . . . . ?
N1 C5 C4 C3 0.5(12) . . . . ?
N1 C1 C2 C3 0.4(15) . . . . ?
N3 C11 C10 N2 -9.4(9) . . . . ?
N3 C11 C10 C9 173.2(7) . . . . ?
N3 C11 C12 C13 0.2(11) . . . . ?
N3 C15 C14 C13 -0.4(13) . . . . ?
C6 N2 C10 C11 -171.9(6) . . . . ?
C6 N2 C10 C9 5.6(11) . . . . ?
C6 C5 C4 C3 175.5(8) . . . . ?
C6 C7 C8 C9 3.8(12) . . . . ?
C6 C7 C8 C16 179.0(8) . . . . ?
C5 N1 C1 C2 -2.6(13) . . . . ?
C5 C6 C7 C8 -173.0(8) . . . . ?
C5 C4 C3 C2 -2.7(13) . . . . ?
C11 N3 C15 C14 1.1(11) . . . . ?
C11 C10 C9 C8 178.9(7) . . . . ?
C11 C12 C13 C14 0.5(13) . . . . ?
C10 N2 C6 C5 168.3(7) . . . . ?
C10 N2 C6 C7 -8.0(11) . . . . ?
C10 C11 C12 C13 -175.3(7) . . . . ?
C10 C9 C8 C7 -6.2(12) . . . . ?
C10 C9 C8 C16 178.5(8) . . . . ?
C4 C3 C2 C1 2.3(14) . . . . ?
C1 N1 C5 C6 -173.4(7) . . . . ?
C1 N1 C5 C4 2.0(11) . . . . ?
C9 C8 C16 C29 -91.1(11) . . . . ?
C9 C8 C16 C17 86.5(14) . . . . ?
C12 C11 C10 N2 166.4(7) . . . . ?
C12 C11 C10 C9 -11.0(11) . . . . ?
C15 N3 C11 C10 175.0(6) . . . . ?
C15 N3 C11 C12 -0.9(10) . . . . ?
C15 C14 C13 C12 -0.4(13) . . . . ?
C7 C6 C5 N1 131.2(7) . . . . ?
C7 C6 C5 C4 -44.2(11) . . . . ?
C7 C8 C16 C29 93.8(11) . . . . ?
C7 C8 C16 C17 -88.6(14) . . . . ?
C8 C16 C17 C22 -174.6(13) . . . . ?
C8 C16 C17 C18 7(2) . . . . ?
C29 C16 C17 C22 3(2) . . . . ?
C29 C16 C17 C18 -175.6(14) . . . . ?
C29 C24 C25 C26 5(3) . . . . ?
C29 C28 C27 C26 -2(3) . . . . ?
C16 C29 C24 C23 3.7(16) . . . . ?
C16 C29 C24 C25 178.8(12) . . . . ?
C16 C29 C28 C27 179.5(14) . . . . ?
C16 C17 C22 C23 0(3) . . . . ?
C16 C17 C22 C21 179.2(15) . . . . ?
C16 C17 C18 C19 -176.0(16) . . . . ?
C17 C22 C23 C24 0(3) . . . . ?
C17 C22 C21 C20 0(3) . . . . ?
C17 C18 C19 C20 -6(3) . . . . ?
C22 C17 C18 C19 6(3) . . . . ?
C22 C23 C24 C29 -2(2) . . . . ?
C22 C23 C24 C25 -176.5(16) . . . . ?
C22 C21 C20 C19 0(3) . . . . ?
C23 C22 C21 C20 179.0(16) . . . . ?
C23 C24 C25 C26 179.7(17) . . . . ?
C24 C29 C16 C8 172.9(9) . . . . ?
C24 C29 C16 C17 -4.5(18) . . . . ?
C24 C29 C28 C27 2(2) . . . . ?
C24 C25 C26 C27 -5(3) . . . . ?
C18 C17 C22 C23 178.1(16) . . . . ?
C18 C17 C22 C21 -2(3) . . . . ?
C28 C29 C16 C8 -4.1(16) . . . . ?
C28 C29 C16 C17 178.5(14) . . . . ?
C28 C29 C24 C23 -179.0(11) . . . . ?
C28 C29 C24 C25 -3.8(19) . . . . ?
C28 C27 C26 C25 3(4) . . . . ?
C21 C22 C23 C24 -179.6(15) . . . . ?
C21 C20 C19 C18 3(3) . . . . ?

_smtbx_masks_special_details     ?
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
_smtbx_masks_void_content
1 -0.103 0.000 0.500 176.0 32.9 '0.667 Toluene'

_smtbx_masks_void_probe_radius   1.2
_smtbx_masks_void_truncation_radius 1.2
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details 
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
####################################################################### 
# 
# 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. 
# 
#######################################################################

data_re_tp1_auto
_database_code_depnum_ccdc_archive 'CCDC 2333274'
loop_
_audit_author_name
_audit_author_address
'Dr. Samya Banerjee'
;Indian Institute of Technology (BHU)
India
;
_audit_update_record             
;
2024-06-20 deposited with the CCDC.	2024-07-25 downloaded from the CCDC.
;
_audit_creation_date             2024-01-25
_audit_creation_method           
;
Olex2 1.3
(compiled 2020.11.12 svn.r5f609507 for OlexSys, GUI svn.r6408)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'C24 H15 Cl N3 O3 Re'
_chemical_formula_sum            'C24 H15 Cl N3 O3 Re'
_chemical_formula_weight         615.04
_chemical_melting_point          ?
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'
Cl Cl 0.1484 0.1585 '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'
Re Re -1.0185 7.2310 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_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.
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_H-M_alt        'P 1 21/c 1'
_space_group_name_Hall           '-P 2ybc'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'

_cell_length_a                   11.5938(2)
_cell_length_b                   11.5936(3)
_cell_length_c                   15.8191(3)
_cell_angle_alpha                90
_cell_angle_beta                 101.8760(10)
_cell_angle_gamma                90
_cell_volume                     2080.79(8)
_cell_formula_units_Z            4
_cell_measurement_reflns_used    9912
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      28.31
_cell_measurement_theta_min      2.66
_shelx_estimated_absorpt_T_max   0.942
_shelx_estimated_absorpt_T_min   0.889
_exptl_absorpt_coefficient_mu    6.001
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.5773
_exptl_absorpt_correction_type   none
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1728 before and 0.0388 after correction.
The Ratio of minimum to maximum transmission is 0.7742.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            brown
_exptl_crystal_colour_primary    brown
_exptl_crystal_density_diffrn    1.963
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1184
_exptl_crystal_size_max          0.02
_exptl_crystal_size_mid          0.01
_exptl_crystal_size_min          0.01
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_unetI/netI     0.0219
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            22113
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.311
_diffrn_reflns_theta_min         2.195
_diffrn_ambient_temperature      100.0
_diffrn_detector_area_resol_mean 8
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed tube'
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                4718
_reflns_number_total             5171
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _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.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40A (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40A (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015)'
_computing_structure_solution    'XT (Sheldrick, 2015)'
_refine_diff_density_max         0.503
_refine_diff_density_min         -0.451
_refine_diff_density_rms         0.084
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         5171
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0193
_refine_ls_R_factor_gt           0.0160
_refine_ls_restrained_S_all      1.032
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0089P)²+1.7469P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0324
_refine_ls_wR_factor_ref         0.0334
_refine_special_details          ?
_olex2_refinement_description    
;
1.a Aromatic/amide H refined with riding coordinates:
 C00C(H00C), C00E(H00E), C00F(H00F), C00H(H00H), C00I(H00I), C00K(H00K),
 C00M(H00M), C00N(H00N), C00P(H00P), C00Q(H00Q), C00R(H00R), C00S(H00S),
 C00U(H00U), C00V(H00V), C00W(H00W)
;
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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 0.21707(2) 0.31706(2) 0.18418(2) 0.01115(3) Uani 1 1 d . . . . .
Cl00 Cl 0.39180(4) 0.31622(4) 0.11558(3) 0.01500(10) Uani 1 1 d . . . . .
O003 O 0.20465(14) 0.05134(14) 0.18057(10) 0.0218(3) Uani 1 1 d . . . . .
O004 O 0.00147(13) 0.31451(14) 0.26811(10) 0.0218(3) Uani 1 1 d . . . . .
O006 O 0.03584(14) 0.31875(14) 0.01369(10) 0.0241(4) Uani 1 1 d . . . . .
N005 N 0.35188(14) 0.34912(14) 0.30357(11) 0.0112(3) Uani 1 1 d . . . . .
N007 N 0.24377(14) 0.50244(15) 0.18942(11) 0.0131(3) Uani 1 1 d . . . . .
N008 N 0.22579(15) 0.16599(14) 0.37172(11) 0.0138(4) Uani 1 1 d . . . . .
C00A C 0.08520(18) 0.31739(18) 0.23917(13) 0.0159(4) Uani 1 1 d . . . . .
C00B C 0.34081(18) 0.15934(17) 0.37076(13) 0.0128(4) Uani 1 1 d . . . . .
C00C C 0.71494(18) 0.54039(18) 0.50191(13) 0.0143(4) Uani 1 1 d . . . . .
H00C H 0.670832 0.602419 0.472043 0.017 Uiso 1 1 calc R . . . .
C00D C 0.40133(18) 0.27127(18) 0.36486(13) 0.0130(4) Uani 1 1 d . . . . .
C00E C 0.16936(19) 0.06681(18) 0.37872(14) 0.0173(4) Uani 1 1 d . . . . .
H00E H 0.087579 0.070038 0.379050 0.021 Uiso 1 1 calc R . . . .
C00F C 0.50491(17) 0.48335(17) 0.36601(13) 0.0126(4) Uani 1 1 d . . . . .
H00F H 0.538214 0.558068 0.364906 0.015 Uiso 1 1 calc R . . . .
C00G C 0.10706(18) 0.31552(18) 0.07688(14) 0.0158(4) Uani 1 1 d . . . . .
C00H C 0.17631(18) 0.57808(18) 0.13646(13) 0.0151(4) Uani 1 1 d . . . . .
H00H H 0.113241 0.549223 0.093578 0.018 Uiso 1 1 calc R . . . .
C00I C 0.50299(17) 0.29601(17) 0.42528(13) 0.0133(4) Uani 1 1 d . . . . .
H00I H 0.534389 0.239471 0.467195 0.016 Uiso 1 1 calc R . . . .
C00J C 0.33562(17) 0.54306(18) 0.24875(13) 0.0126(4) Uani 1 1 d . . . . .
C00K C 0.82060(19) 0.56275(18) 0.55875(14) 0.0174(4) Uani 1 1 d . . . . .
H00K H 0.848474 0.639773 0.567442 0.021 Uiso 1 1 calc R . . . .
C00L C 0.67251(17) 0.42740(17) 0.48803(13) 0.0118(4) Uani 1 1 d . . . . .
C00M C 0.22347(19) -0.04014(19) 0.38550(14) 0.0193(4) Uani 1 1 d . . . . .
H00M H 0.179835 -0.108402 0.390056 0.023 Uiso 1 1 calc R . . . .
C00N C 0.40316(18) 0.05610(18) 0.37840(13) 0.0155(4) Uani 1 1 d . . . . .
H00N H 0.485188 0.055165 0.378747 0.019 Uiso 1 1 calc R . . . .
C00O C 0.56042(17) 0.40213(17) 0.42606(13) 0.0117(4) Uani 1 1 d . . . . .
C00P C 0.88571(19) 0.47302(19) 0.60296(14) 0.0185(4) Uani 1 1 d . . . . .
H00P H 0.958424 0.488360 0.641505 0.022 Uiso 1 1 calc R . . . .
C00Q C 0.34283(19) -0.04521(19) 0.38548(14) 0.0194(4) Uani 1 1 d . . . . .
H00Q H 0.382698 -0.117242 0.390267 0.023 Uiso 1 1 calc R . . . .
C00R C 0.19479(19) 0.69584(18) 0.14175(14) 0.0169(4) Uani 1 1 d . . . . .
H00R H 0.144034 0.746926 0.104440 0.020 Uiso 1 1 calc R . . . .
C00S C 0.73889(19) 0.33851(18) 0.53358(14) 0.0170(4) Uani 1 1 d . . . . .
H00S H 0.711492 0.261275 0.525388 0.020 Uiso 1 1 calc R . . . .
C00T C 0.40171(17) 0.45602(17) 0.30800(12) 0.0118(4) Uani 1 1 d . . . . .
C00U C 0.28913(19) 0.73808(19) 0.20275(14) 0.0169(4) Uani 1 1 d . . . . .
H00U H 0.304165 0.818599 0.207807 0.020 Uiso 1 1 calc R . . . .
C00V C 0.36092(18) 0.66050(17) 0.25610(14) 0.0148(4) Uani 1 1 d . . . . .
H00V H 0.426895 0.687310 0.297377 0.018 Uiso 1 1 calc R . . . .
C00W C 0.84433(19) 0.36118(19) 0.59068(15) 0.0202(5) Uani 1 1 d . . . . .
H00W H 0.888225 0.299655 0.621424 0.024 Uiso 1 1 calc R . . . .
C009 C 0.21020(18) 0.15024(19) 0.18279(13) 0.0151(4) 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 Cl00 2.4873(5) . ?
Re1 N005 2.2211(16) . ?
Re1 N007 2.1706(17) . ?
Re1 C00A 1.908(2) . ?
Re1 C00G 1.902(2) . ?
Re1 C009 1.936(2) . ?
O003 C009 1.149(3) . ?
O004 C00A 1.156(3) . ?
O006 C00G 1.159(3) . ?
N005 C00D 1.362(3) . ?
N005 C00T 1.363(3) . ?
N007 C00H 1.346(3) . ?
N007 C00J 1.351(2) . ?
N008 C00B 1.339(3) . ?
N008 C00E 1.339(3) . ?
C00B C00D 1.487(3) . ?
C00B C00N 1.391(3) . ?
C00C C00K 1.387(3) . ?
C00C C00L 1.401(3) . ?
C00D C00I 1.386(3) . ?
C00E C00M 1.384(3) . ?
C00F C00O 1.397(3) . ?
C00F C00T 1.386(3) . ?
C00H C00R 1.382(3) . ?
C00I C00O 1.398(3) . ?
C00J C00T 1.479(3) . ?
C00J C00V 1.392(3) . ?
C00K C00P 1.387(3) . ?
C00L C00O 1.487(3) . ?
C00L C00S 1.395(3) . ?
C00M C00Q 1.385(3) . ?
C00N C00Q 1.383(3) . ?
C00P C00W 1.382(3) . ?
C00R C00U 1.390(3) . ?
C00S C00W 1.387(3) . ?
C00U C00V 1.387(3) . ?

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
N005 Re1 Cl00 82.99(4) . . ?
N007 Re1 Cl00 84.14(4) . . ?
N007 Re1 N005 74.45(6) . . ?
C00A Re1 Cl00 178.78(6) . . ?
C00A Re1 N005 95.83(7) . . ?
C00A Re1 N007 95.85(8) . . ?
C00A Re1 C009 88.41(9) . . ?
C00G Re1 Cl00 93.86(6) . . ?
C00G Re1 N005 170.33(8) . . ?
C00G Re1 N007 96.17(8) . . ?
C00G Re1 C00A 87.35(9) . . ?
C00G Re1 C009 87.82(9) . . ?
C009 Re1 Cl00 91.52(6) . . ?
C009 Re1 N005 101.36(7) . . ?
C009 Re1 N007 174.28(7) . . ?
C00D N005 Re1 127.88(13) . . ?
C00D N005 C00T 117.01(17) . . ?
C00T N005 Re1 114.36(12) . . ?
C00H N007 Re1 124.13(14) . . ?
C00H N007 C00J 118.63(18) . . ?
C00J N007 Re1 117.23(13) . . ?
C00E N008 C00B 117.14(18) . . ?
O004 C00A Re1 175.92(18) . . ?
N008 C00B C00D 115.74(17) . . ?
N008 C00B C00N 123.35(18) . . ?
C00N C00B C00D 120.86(18) . . ?
C00K C00C C00L 120.76(19) . . ?
N005 C00D C00B 119.21(17) . . ?
N005 C00D C00I 121.83(18) . . ?
C00I C00D C00B 118.85(18) . . ?
N008 C00E C00M 123.7(2) . . ?
C00T C00F C00O 120.66(18) . . ?
O006 C00G Re1 175.99(19) . . ?
N007 C00H C00R 122.87(19) . . ?
C00D C00I C00O 121.61(19) . . ?
N007 C00J C00T 115.71(18) . . ?
N007 C00J C00V 121.41(18) . . ?
C00V C00J C00T 122.77(18) . . ?
C00C C00K C00P 120.2(2) . . ?
C00C C00L C00O 121.25(18) . . ?
C00S C00L C00C 118.13(18) . . ?
C00S C00L C00O 120.63(18) . . ?
C00E C00M C00Q 118.4(2) . . ?
C00Q C00N C00B 118.38(19) . . ?
C00F C00O C00I 115.81(18) . . ?
C00F C00O C00L 122.22(18) . . ?
C00I C00O C00L 121.96(18) . . ?
C00W C00P C00K 119.7(2) . . ?
C00N C00Q C00M 119.1(2) . . ?
C00H C00R C00U 118.69(19) . . ?
C00W C00S C00L 120.99(19) . . ?
N005 C00T C00F 122.74(18) . . ?
N005 C00T C00J 115.40(17) . . ?
C00F C00T C00J 121.82(18) . . ?
C00V C00U C00R 118.8(2) . . ?
C00U C00V C00J 119.56(19) . . ?
C00P C00W C00S 120.2(2) . . ?
O003 C009 Re1 178.76(19) . . ?

_olex2_submission_special_instructions 'No special instructions were received'
