# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry
# This journal is © The Royal Society of Chemistry 2012


data_global
_journal_name_full               J.Mater.Chem.
_journal_coden_cambridge         1145
_journal_year                    ?
_journal_volume                  ?
_journal_page_first              ?
_publ_contact_author_name        'Xiaoming Liu'
_publ_contact_author_email       xm_liu@jlu.edu.cn
loop_
_publ_author_name
'XiaoMing Liu'
'Hong Xia'
'Wei Gao'
'Qiaolin Wu'
'Xiao Fan'
'Ying Mu'
'Cunsheng Ma'

# Attachment 'Complex_Re-2.cif'

data_Complex_Re-2
_database_code_depnum_ccdc_archive 'CCDC 841691'
#TrackingRef 'Complex_Re-2.cif'

_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         'C23 H16 Cl3 N2 O4 Re'
_chemical_formula_sum            'C23 H16 Cl3 N2 O4 Re'
_chemical_formula_weight         676.93

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'
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           Triclinic
_symmetry_space_group_name_H-M   P-1

loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'

_cell_length_a                   9.808(2)
_cell_length_b                   11.209(2)
_cell_length_c                   12.043(2)
_cell_angle_alpha                79.92(3)
_cell_angle_beta                 87.34(3)
_cell_angle_gamma                65.46(3)
_cell_volume                     1185.2(4)
_cell_formula_units_Z            2
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.21
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.897
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             652
_exptl_absorpt_coefficient_mu    5.497
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.3403
_exptl_absorpt_correction_T_max  0.3915
_exptl_absorpt_process_details   'ABSCOR by T.Higashi 8 March, 1995'

_exptl_special_details           
;
?
;

_diffrn_ambient_temperature      293(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  'Rigaku R-AXIS RAPID IP diffractometer'
_diffrn_measurement_method       'Oscillation scans'
_diffrn_detector_area_resol_mean '100x100 microns'
_diffrn_standards_number         none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_decay_%        none
_diffrn_reflns_number            9137
_diffrn_reflns_av_R_equivalents  0.0244
_diffrn_reflns_av_sigmaI/netI    0.0298
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_theta_min         3.07
_diffrn_reflns_theta_max         24.71
_reflns_number_total             4033
_reflns_number_gt                3840
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       'RAPID AUTO'
_computing_cell_refinement       'RAPID AUTO'
_computing_data_reduction        'RAPID AUTO'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'

_refine_special_details          
;
Refinement of F^2^ against ALL reflections. The weighted R-factor wR and
goodness of fit S are based on F^2^, conventional R-factors R are based
on F, with F set to zero for negative F^2^. The threshold expression of
F^2^ > 2sigma(F^2^) is used only for calculating R-factors(gt) etc. and is
not relevant to the choice of reflections for refinement. R-factors based
on F^2^ 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/[\s^2^(Fo^2^)+(0.0452P)^2^+6.4044P] where P=(Fo^2^+2Fc^2^)/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         4033
_refine_ls_number_parameters     284
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0360
_refine_ls_R_factor_gt           0.0344
_refine_ls_wR_factor_ref         0.0934
_refine_ls_wR_factor_gt          0.0927
_refine_ls_goodness_of_fit_ref   1.088
_refine_ls_restrained_S_all      1.088
_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
C1 C 0.7389(8) 0.9217(8) 0.5486(7) 0.0485(18) Uani 1 1 d . . .
C2 C 0.5966(8) 0.7628(8) 0.5817(6) 0.0437(16) Uani 1 1 d . . .
C3 C 0.5430(8) 0.9524(7) 0.7103(6) 0.0416(16) Uani 1 1 d . . .
C4 C 1.0139(8) 0.6338(8) 0.5598(6) 0.0435(16) Uani 1 1 d . . .
H4 H 0.9831 0.7057 0.5007 0.052 Uiso 1 1 calc R . .
C5 C 1.1495(8) 0.5289(8) 0.5528(7) 0.0465(18) Uani 1 1 d . . .
H5 H 1.2096 0.5316 0.4913 0.056 Uiso 1 1 calc R . .
C6 C 1.1952(8) 0.4210(8) 0.6370(7) 0.0473(18) Uani 1 1 d . . .
H6 H 1.2859 0.3486 0.6325 0.057 Uiso 1 1 calc R . .
C7 C 1.1051(7) 0.4193(7) 0.7301(6) 0.0388(15) Uani 1 1 d . . .
C8 C 1.1456(8) 0.3116(7) 0.8227(7) 0.0491(18) Uani 1 1 d . . .
H8 H 1.2357 0.2372 0.8222 0.059 Uiso 1 1 calc R . .
C9 C 1.0562(9) 0.3161(7) 0.9095(7) 0.0504(19) Uani 1 1 d . . .
H9 H 1.0866 0.2454 0.9697 0.060 Uiso 1 1 calc R . .
C10 C 0.9134(8) 0.4274(6) 0.9137(6) 0.0389(15) Uani 1 1 d . . .
C11 C 0.9685(7) 0.5306(6) 0.7309(5) 0.0333(14) Uani 1 1 d . . .
C12 C 0.8697(7) 0.5342(6) 0.8233(5) 0.0317(13) Uani 1 1 d . . .
C13 C 0.8146(9) 0.4322(7) 1.0008(6) 0.0485(18) Uani 1 1 d . . .
H13 H 0.8394 0.3623 1.0615 0.058 Uiso 1 1 calc R . .
C14 C 0.6814(8) 0.5400(7) 0.9964(6) 0.0454(17) Uani 1 1 d . . .
H14 H 0.6153 0.5443 1.0551 0.054 Uiso 1 1 calc R . .
C15 C 0.6418(7) 0.6458(6) 0.9037(6) 0.0354(14) Uani 1 1 d . . .
C16 C 0.4938(7) 0.7574(7) 0.9038(6) 0.0365(14) Uani 1 1 d . . .
C17 C 0.4663(9) 0.8436(8) 0.9825(7) 0.0494(18) Uani 1 1 d . . .
H17 H 0.5437 0.8333 1.0302 0.059 Uiso 1 1 calc R . .
C18 C 0.3262(10) 0.9424(9) 0.9892(8) 0.061(2) Uani 1 1 d . . .
H18 H 0.3094 1.0007 1.0397 0.073 Uiso 1 1 calc R . .
C19 C 0.2116(10) 0.9551(8) 0.9215(8) 0.060(2) Uani 1 1 d . . .
H19 H 0.1163 1.0211 0.9280 0.072 Uiso 1 1 calc R . .
C20 C 0.2335(8) 0.8721(8) 0.8436(8) 0.056(2) Uani 1 1 d . . .
H20 H 0.1547 0.8828 0.7971 0.067 Uiso 1 1 calc R . .
C21 C 0.3762(8) 0.7721(7) 0.8363(7) 0.0431(16) Uani 1 1 d . . .
C22 C 0.2928(10) 0.6931(10) 0.6915(8) 0.062(2) Uani 1 1 d . . .
H22A H 0.2136 0.6802 0.7344 0.093 Uiso 1 1 calc R . .
H22B H 0.3334 0.6269 0.6437 0.093 Uiso 1 1 calc R . .
H22C H 0.2539 0.7801 0.6459 0.093 Uiso 1 1 calc R . .
C23 C 0.7225(15) 0.2062(13) 0.7052(12) 0.101(4) Uiso 1 1 d . . .
H23A H 0.7125 0.1419 0.7666 0.121 Uiso 1 1 calc R . .
H23B H 0.6878 0.1935 0.6359 0.121 Uiso 1 1 calc R . .
Cl1 Cl 0.8800(2) 0.84641(17) 0.79726(15) 0.0427(4) Uani 1 1 d . . .
Cl2 Cl 0.6132(6) 0.3705(5) 0.7305(4) 0.1461(16) Uiso 1 1 d . . .
Cl3 Cl 0.9064(5) 0.1830(5) 0.6946(4) 0.1292(13) Uiso 1 1 d . . .
N1 N 0.7357(5) 0.6436(5) 0.8177(4) 0.0301(11) Uani 1 1 d . . .
N2 N 0.9234(6) 0.6380(5) 0.6475(4) 0.0330(11) Uani 1 1 d . . .
O1 O 0.7561(8) 0.9889(7) 0.4707(6) 0.084(2) Uani 1 1 d . . .
O2 O 0.5277(7) 0.7388(7) 0.5209(5) 0.0655(17) Uani 1 1 d . . .
O3 O 0.4451(7) 1.0485(6) 0.7289(6) 0.0693(18) Uani 1 1 d . . .
O4 O 0.4088(6) 0.6810(6) 0.7670(5) 0.0562(14) Uani 1 1 d . . .
Re1 Re 0.71638(3) 0.80363(2) 0.67431(2) 0.03092(11) Uani 1 1 d . . .

loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_23
_atom_site_aniso_U_13
_atom_site_aniso_U_12
C1 0.039(4) 0.044(4) 0.047(4) 0.004(3) 0.004(3) -0.006(3)
C2 0.034(4) 0.049(4) 0.043(4) -0.014(3) 0.004(3) -0.010(3)
C3 0.037(4) 0.036(4) 0.044(4) -0.007(3) 0.010(3) -0.008(3)
C4 0.040(4) 0.048(4) 0.044(4) -0.011(3) 0.003(3) -0.019(3)
C5 0.030(3) 0.060(5) 0.052(4) -0.028(4) 0.015(3) -0.015(3)
C6 0.029(3) 0.052(4) 0.060(5) -0.029(4) 0.004(3) -0.007(3)
C7 0.028(3) 0.034(3) 0.051(4) -0.024(3) 0.001(3) -0.002(3)
C8 0.039(4) 0.038(4) 0.054(4) -0.017(3) -0.001(3) 0.005(3)
C9 0.048(4) 0.032(4) 0.055(5) -0.004(3) -0.014(4) -0.001(3)
C10 0.041(4) 0.027(3) 0.042(4) -0.007(3) -0.004(3) -0.008(3)
C11 0.028(3) 0.036(3) 0.035(3) -0.010(3) -0.001(3) -0.011(3)
C12 0.031(3) 0.027(3) 0.037(3) -0.010(3) -0.001(3) -0.008(3)
C13 0.051(4) 0.036(4) 0.046(4) 0.005(3) 0.000(3) -0.011(3)
C14 0.046(4) 0.046(4) 0.040(4) -0.002(3) 0.008(3) -0.017(3)
C15 0.029(3) 0.033(3) 0.042(4) -0.007(3) 0.003(3) -0.011(3)
C16 0.034(3) 0.034(3) 0.041(4) -0.005(3) 0.009(3) -0.014(3)
C17 0.047(4) 0.046(4) 0.053(4) -0.020(3) 0.011(3) -0.013(3)
C18 0.061(5) 0.051(5) 0.067(5) -0.024(4) 0.022(4) -0.015(4)
C19 0.047(5) 0.040(4) 0.088(6) -0.020(4) 0.027(5) -0.012(4)
C20 0.029(4) 0.040(4) 0.091(6) -0.001(4) 0.001(4) -0.011(3)
C21 0.036(4) 0.037(4) 0.057(4) -0.010(3) 0.007(3) -0.015(3)
C22 0.057(5) 0.074(6) 0.066(5) -0.014(5) -0.006(4) -0.036(5)
Cl1 0.0410(9) 0.0431(9) 0.0479(9) -0.0144(7) 0.0023(7) -0.0187(7)
N1 0.023(2) 0.028(3) 0.037(3) -0.009(2) 0.001(2) -0.006(2)
N2 0.026(3) 0.037(3) 0.036(3) -0.014(2) 0.007(2) -0.010(2)
O1 0.078(5) 0.072(4) 0.072(4) 0.028(4) 0.014(4) -0.020(4)
O2 0.046(3) 0.103(5) 0.053(3) -0.033(3) 0.000(3) -0.029(3)
O3 0.053(3) 0.044(3) 0.081(4) -0.003(3) 0.021(3) 0.005(3)
O4 0.043(3) 0.056(3) 0.073(4) -0.023(3) -0.009(3) -0.018(3)
Re1 0.02503(15) 0.02909(16) 0.03185(16) -0.00364(10) 0.00275(10) -0.00536(11)

_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
C1 O1 1.148(9) . ?
C1 Re1 1.898(8) . ?
C2 O2 1.154(9) . ?
C2 Re1 1.892(7) . ?
C3 O3 1.156(9) . ?
C3 Re1 1.921(7) . ?
C4 N2 1.342(9) . ?
C4 C5 1.372(10) . ?
C4 H4 0.9300 . ?
C5 C6 1.362(11) . ?
C5 H5 0.9300 . ?
C6 C7 1.398(11) . ?
C6 H6 0.9300 . ?
C7 C11 1.402(9) . ?
C7 C8 1.425(11) . ?
C8 C9 1.327(12) . ?
C8 H8 0.9300 . ?
C9 C10 1.444(10) . ?
C9 H9 0.9300 . ?
C10 C13 1.388(11) . ?
C10 C12 1.401(9) . ?
C11 N2 1.353(8) . ?
C11 C12 1.435(9) . ?
C12 N1 1.370(8) . ?
C13 C14 1.358(11) . ?
C13 H13 0.9300 . ?
C14 C15 1.413(10) . ?
C14 H14 0.9300 . ?
C15 N1 1.351(8) . ?
C15 C16 1.471(9) . ?
C16 C21 1.378(10) . ?
C16 C17 1.408(10) . ?
C17 C18 1.370(11) . ?
C17 H17 0.9300 . ?
C18 C19 1.364(13) . ?
C18 H18 0.9300 . ?
C19 C20 1.383(13) . ?
C19 H19 0.9300 . ?
C20 C21 1.394(10) . ?
C20 H20 0.9300 . ?
C21 O4 1.358(9) . ?
C22 O4 1.437(9) . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
C23 Cl3 1.715(14) . ?
C23 Cl2 1.778(14) . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
Cl1 Re1 2.4714(18) . ?
N1 Re1 2.213(5) . ?
N2 Re1 2.166(5) . ?

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
O1 C1 Re1 177.4(8) . . ?
O2 C2 Re1 176.7(7) . . ?
O3 C3 Re1 174.3(7) . . ?
N2 C4 C5 123.4(7) . . ?
N2 C4 H4 118.3 . . ?
C5 C4 H4 118.3 . . ?
C6 C5 C4 119.3(7) . . ?
C6 C5 H5 120.3 . . ?
C4 C5 H5 120.3 . . ?
C5 C6 C7 119.7(7) . . ?
C5 C6 H6 120.1 . . ?
C7 C6 H6 120.1 . . ?
C6 C7 C11 117.3(7) . . ?
C6 C7 C8 123.4(6) . . ?
C11 C7 C8 119.3(6) . . ?
C9 C8 C7 120.8(7) . . ?
C9 C8 H8 119.6 . . ?
C7 C8 H8 119.6 . . ?
C8 C9 C10 122.1(7) . . ?
C8 C9 H9 118.9 . . ?
C10 C9 H9 118.9 . . ?
C13 C10 C12 118.2(6) . . ?
C13 C10 C9 123.4(7) . . ?
C12 C10 C9 118.4(7) . . ?
N2 C11 C7 122.9(6) . . ?
N2 C11 C12 117.0(6) . . ?
C7 C11 C12 120.1(6) . . ?
N1 C12 C10 123.2(6) . . ?
N1 C12 C11 117.4(6) . . ?
C10 C12 C11 119.3(6) . . ?
C14 C13 C10 119.2(7) . . ?
C14 C13 H13 120.4 . . ?
C10 C13 H13 120.4 . . ?
C13 C14 C15 120.8(7) . . ?
C13 C14 H14 119.6 . . ?
C15 C14 H14 119.6 . . ?
N1 C15 C14 121.2(6) . . ?
N1 C15 C16 121.3(6) . . ?
C14 C15 C16 117.5(6) . . ?
C21 C16 C17 118.7(6) . . ?
C21 C16 C15 121.4(6) . . ?
C17 C16 C15 119.5(6) . . ?
C18 C17 C16 120.4(8) . . ?
C18 C17 H17 119.8 . . ?
C16 C17 H17 119.8 . . ?
C19 C18 C17 119.9(8) . . ?
C19 C18 H18 120.1 . . ?
C17 C18 H18 120.1 . . ?
C18 C19 C20 121.6(8) . . ?
C18 C19 H19 119.2 . . ?
C20 C19 H19 119.2 . . ?
C19 C20 C21 118.6(8) . . ?
C19 C20 H20 120.7 . . ?
C21 C20 H20 120.7 . . ?
O4 C21 C16 115.5(6) . . ?
O4 C21 C20 123.6(7) . . ?
C16 C21 C20 120.9(7) . . ?
O4 C22 H22A 109.5 . . ?
O4 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
O4 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
Cl3 C23 Cl2 108.7(8) . . ?
Cl3 C23 H23A 109.9 . . ?
Cl2 C23 H23A 109.9 . . ?
Cl3 C23 H23B 109.9 . . ?
Cl2 C23 H23B 109.9 . . ?
H23A C23 H23B 108.3 . . ?
C15 N1 C12 117.4(5) . . ?
C15 N1 Re1 128.9(4) . . ?
C12 N1 Re1 113.4(4) . . ?
C4 N2 C11 117.2(6) . . ?
C4 N2 Re1 126.8(5) . . ?
C11 N2 Re1 116.0(4) . . ?
C21 O4 C22 118.5(6) . . ?
C2 Re1 C1 88.9(3) . . ?
C2 Re1 C3 90.6(3) . . ?
C1 Re1 C3 87.2(3) . . ?
C2 Re1 N2 94.9(3) . . ?
C1 Re1 N2 94.2(3) . . ?
C3 Re1 N2 174.3(3) . . ?
C2 Re1 N1 95.2(3) . . ?
C1 Re1 N1 169.2(3) . . ?
C3 Re1 N1 102.7(2) . . ?
N2 Re1 N1 75.51(19) . . ?
C2 Re1 Cl1 177.5(2) . . ?
C1 Re1 Cl1 92.6(3) . . ?
C3 Re1 Cl1 91.6(2) . . ?
N2 Re1 Cl1 82.88(15) . . ?
N1 Re1 Cl1 83.03(14) . . ?

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
N2 C4 C5 C6 1.7(11) . . . . ?
C4 C5 C6 C7 -1.3(11) . . . . ?
C5 C6 C7 C11 1.0(10) . . . . ?
C5 C6 C7 C8 -178.8(7) . . . . ?
C6 C7 C8 C9 179.3(7) . . . . ?
C11 C7 C8 C9 -0.6(11) . . . . ?
C7 C8 C9 C10 1.6(12) . . . . ?
C8 C9 C10 C13 176.9(8) . . . . ?
C8 C9 C10 C12 -0.8(11) . . . . ?
C6 C7 C11 N2 -1.3(10) . . . . ?
C8 C7 C11 N2 178.6(6) . . . . ?
C6 C7 C11 C12 179.0(6) . . . . ?
C8 C7 C11 C12 -1.1(10) . . . . ?
C13 C10 C12 N1 1.1(10) . . . . ?
C9 C10 C12 N1 178.9(6) . . . . ?
C13 C10 C12 C11 -178.7(6) . . . . ?
C9 C10 C12 C11 -0.9(9) . . . . ?
N2 C11 C12 N1 2.3(8) . . . . ?
C7 C11 C12 N1 -178.0(6) . . . . ?
N2 C11 C12 C10 -177.9(6) . . . . ?
C7 C11 C12 C10 1.9(9) . . . . ?
C12 C10 C13 C14 -1.1(11) . . . . ?
C9 C10 C13 C14 -178.7(7) . . . . ?
C10 C13 C14 C15 0.9(12) . . . . ?
C13 C14 C15 N1 -0.8(11) . . . . ?
C13 C14 C15 C16 178.4(7) . . . . ?
N1 C15 C16 C21 75.0(9) . . . . ?
C14 C15 C16 C21 -104.2(8) . . . . ?
N1 C15 C16 C17 -111.6(8) . . . . ?
C14 C15 C16 C17 69.3(9) . . . . ?
C21 C16 C17 C18 -1.8(11) . . . . ?
C15 C16 C17 C18 -175.5(7) . . . . ?
C16 C17 C18 C19 1.9(13) . . . . ?
C17 C18 C19 C20 -1.5(14) . . . . ?
C18 C19 C20 C21 1.1(13) . . . . ?
C17 C16 C21 O4 -176.4(7) . . . . ?
C15 C16 C21 O4 -2.9(10) . . . . ?
C17 C16 C21 C20 1.4(11) . . . . ?
C15 C16 C21 C20 174.9(7) . . . . ?
C19 C20 C21 O4 176.6(7) . . . . ?
C19 C20 C21 C16 -1.1(12) . . . . ?
C14 C15 N1 C12 0.7(9) . . . . ?
C16 C15 N1 C12 -178.4(6) . . . . ?
C14 C15 N1 Re1 -171.6(5) . . . . ?
C16 C15 N1 Re1 9.3(9) . . . . ?
C10 C12 N1 C15 -0.9(9) . . . . ?
C11 C12 N1 C15 178.9(6) . . . . ?
C10 C12 N1 Re1 172.6(5) . . . . ?
C11 C12 N1 Re1 -7.6(7) . . . . ?
C5 C4 N2 C11 -1.9(10) . . . . ?
C5 C4 N2 Re1 174.7(5) . . . . ?
C7 C11 N2 C4 1.7(9) . . . . ?
C12 C11 N2 C4 -178.6(6) . . . . ?
C7 C11 N2 Re1 -175.3(5) . . . . ?
C12 C11 N2 Re1 4.4(7) . . . . ?
C16 C21 O4 C22 -177.9(7) . . . . ?
C20 C21 O4 C22 4.2(11) . . . . ?
O2 C2 Re1 C1 32(12) . . . . ?
O2 C2 Re1 C3 119(12) . . . . ?
O2 C2 Re1 N2 -62(12) . . . . ?
O2 C2 Re1 N1 -138(12) . . . . ?
O2 C2 Re1 Cl1 -93(13) . . . . ?
O1 C1 Re1 C2 -72(17) . . . . ?
O1 C1 Re1 C3 -163(17) . . . . ?
O1 C1 Re1 N2 22(17) . . . . ?
O1 C1 Re1 N1 40(18) . . . . ?
O1 C1 Re1 Cl1 106(17) . . . . ?
O3 C3 Re1 C2 -125(7) . . . . ?
O3 C3 Re1 C1 -36(7) . . . . ?
O3 C3 Re1 N2 69(8) . . . . ?
O3 C3 Re1 N1 140(7) . . . . ?
O3 C3 Re1 Cl1 56(7) . . . . ?
C4 N2 Re1 C2 83.0(6) . . . . ?
C11 N2 Re1 C2 -100.3(5) . . . . ?
C4 N2 Re1 C1 -6.2(6) . . . . ?
C11 N2 Re1 C1 170.4(5) . . . . ?
C4 N2 Re1 C3 -111(2) . . . . ?
C11 N2 Re1 C3 66(3) . . . . ?
C4 N2 Re1 N1 177.1(6) . . . . ?
C11 N2 Re1 N1 -6.2(4) . . . . ?
C4 N2 Re1 Cl1 -98.3(5) . . . . ?
C11 N2 Re1 Cl1 78.4(4) . . . . ?
C15 N1 Re1 C2 -86.4(6) . . . . ?
C12 N1 Re1 C2 101.0(5) . . . . ?
C15 N1 Re1 C1 161.8(15) . . . . ?
C12 N1 Re1 C1 -10.8(17) . . . . ?
C15 N1 Re1 C3 5.4(6) . . . . ?
C12 N1 Re1 C3 -167.2(4) . . . . ?
C15 N1 Re1 N2 179.9(6) . . . . ?
C12 N1 Re1 N2 7.3(4) . . . . ?
C15 N1 Re1 Cl1 95.4(5) . . . . ?
C12 N1 Re1 Cl1 -77.2(4) . . . . ?

_diffrn_measured_fraction_theta_max 0.997
_diffrn_reflns_theta_full        24.71
_diffrn_measured_fraction_theta_full 0.997
_refine_diff_density_max         2.836
_refine_diff_density_min         -1.796
_refine_diff_density_rms         0.143