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


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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 
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data_1
_database_code_depnum_ccdc_archive 'CCDC 826740'
#TrackingRef '1.cif'


_audit_creation_method           SHELXL-97
_chemical_name_systematic        
;
?
;
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'C32 H26 Cl N4 O4 Re'
_chemical_formula_weight         752.22

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'
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'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   P21/c

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                   7.0443(14)
_cell_length_b                   26.056(5)
_cell_length_c                   17.159(3)
_cell_angle_alpha                90.00
_cell_angle_beta                 107.024(7)
_cell_angle_gamma                90.00
_cell_volume                     3011.5(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    293(2)
_cell_measurement_reflns_used    ?
_cell_measurement_theta_min      ?
_cell_measurement_theta_max      ?

_exptl_crystal_description       ?
_exptl_crystal_colour            ?
_exptl_crystal_size_max          0.14
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.13
_exptl_crystal_density_meas      ?
_exptl_crystal_density_diffrn    1.659
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1480
_exptl_absorpt_coefficient_mu    4.167
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  0.5931
_exptl_absorpt_correction_T_max  0.6134
_exptl_absorpt_process_details   ?

_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  ?
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
_diffrn_reflns_number            13547
_diffrn_reflns_av_R_equivalents  0.0480
_diffrn_reflns_av_sigmaI/netI    0.0569
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_k_max       30
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_theta_min         2.48
_diffrn_reflns_theta_max         25.00
_reflns_number_total             5201
_reflns_number_gt                4287
_reflns_threshold_expression     >2sigma(I)

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_molecular_graphics    ?
_computing_publication_material  ?

_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^)+(0.0984P)^2^+2.5408P] 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    mixed
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       ?
_refine_ls_number_reflns         5201
_refine_ls_number_parameters     379
_refine_ls_number_restraints     3
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0518
_refine_ls_wR_factor_ref         0.1489
_refine_ls_wR_factor_gt          0.1416
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_restrained_S_all      1.035
_refine_ls_shift/su_max          0.002
_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 1.07374(4) 0.167343(11) 0.331724(16) 0.03600(15) Uani 1 1 d . . .
Cl1 Cl 1.3238(3) 0.23650(10) 0.34591(13) 0.0544(5) Uani 1 1 d . . .
C1 C 1.2402(12) 0.1423(4) 0.5184(5) 0.051(2) Uani 1 1 d . . .
H1 H 1.2893 0.1131 0.4999 0.061 Uiso 1 1 calc R . .
C2 C 1.2773(14) 0.1490(4) 0.6001(5) 0.056(2) Uani 1 1 d . . .
H2 H 1.3499 0.1248 0.6366 0.067 Uiso 1 1 calc R . .
C3 C 1.2047(12) 0.1927(4) 0.6277(4) 0.050(2) Uani 1 1 d . . .
H3 H 1.2297 0.1986 0.6833 0.060 Uiso 1 1 calc R . .
C4 C 1.0955(11) 0.2272(3) 0.5719(4) 0.0424(18) Uani 1 1 d . . .
H4 H 1.0434 0.2563 0.5895 0.051 Uiso 1 1 calc R . .
C5 C 1.0627(10) 0.2188(3) 0.4894(4) 0.0319(15) Uani 1 1 d . . .
C6 C 0.9428(10) 0.2532(3) 0.4246(4) 0.0361(16) Uani 1 1 d . . .
C7 C 0.8880(10) 0.3013(3) 0.4425(4) 0.0375(16) Uani 1 1 d . . .
H7 H 0.9303 0.3134 0.4957 0.045 Uiso 1 1 calc R . .
C8 C 0.4766(14) 0.1760(4) 0.1203(6) 0.063(3) Uani 1 1 d . . .
H8 H 0.4026 0.1458 0.1123 0.076 Uiso 1 1 calc R . .
C9 C 0.4950(13) 0.2034(5) 0.0551(5) 0.066(3) Uani 1 1 d . . .
H9 H 0.4386 0.1912 0.0024 0.079 Uiso 1 1 calc R . .
C10 C 0.5988(13) 0.2497(4) 0.0678(5) 0.060(3) Uani 1 1 d . . .
H10 H 0.6051 0.2693 0.0233 0.072 Uiso 1 1 calc R . .
C11 C 0.6880(10) 0.2659(3) 0.1421(4) 0.0350(16) Uani 1 1 d . . .
H11 H 0.7600 0.2964 0.1498 0.042 Uiso 1 1 calc RD . .
C12 C 0.6757(10) 0.2391(3) 0.2060(4) 0.0406(18) Uani 1 1 d . . .
C13 C 0.7659(11) 0.2618(3) 0.2892(4) 0.0350(16) Uani 1 1 d . . .
C14 C 0.7070(11) 0.3103(3) 0.3026(4) 0.0386(16) Uani 1 1 d . . .
H14 H 0.6253 0.3289 0.2596 0.046 Uiso 1 1 calc R . .
C15 C 0.7685(12) 0.3319(3) 0.3804(5) 0.0394(18) Uani 1 1 d . . .
C16 C 0.7975(13) 0.4080(3) 0.4688(5) 0.051(2) Uani 1 1 d . . .
C17 C 0.9996(13) 0.4163(4) 0.4938(5) 0.054(2) Uani 1 1 d . . .
H17 H 1.0785 0.4035 0.4633 0.065 Uiso 1 1 calc R . .
C18 C 1.0855(16) 0.4440(4) 0.5650(6) 0.068(3) Uani 1 1 d . . .
H18 H 1.2215 0.4500 0.5814 0.082 Uiso 1 1 calc R . .
C19 C 0.9724(19) 0.4621(4) 0.6101(6) 0.076(3) Uani 1 1 d . . .
H19 H 1.0317 0.4788 0.6590 0.091 Uiso 1 1 calc R . .
C20 C 0.769(2) 0.4558(5) 0.5840(6) 0.084(3) Uani 1 1 d . . .
H20 H 0.6913 0.4700 0.6139 0.100 Uiso 1 1 calc R . .
C21 C 0.6801(14) 0.4286(4) 0.5138(6) 0.061(2) Uani 1 1 d . . .
H21 H 0.5432 0.4241 0.4966 0.074 Uiso 1 1 calc R . .
C22 C 0.5322(13) 0.4029(3) 0.3394(4) 0.048(2) Uani 1 1 d . . .
C23 C 0.5551(16) 0.4473(4) 0.2996(6) 0.067(3) Uani 1 1 d . . .
H23 H 0.6803 0.4616 0.3075 0.081 Uiso 1 1 calc R . .
C24 C 0.390(2) 0.4702(5) 0.2479(7) 0.090(4) Uani 1 1 d . . .
H24 H 0.4061 0.4997 0.2199 0.108 Uiso 1 1 calc R . .
C25 C 0.212(2) 0.4517(6) 0.2371(6) 0.088(4) Uani 1 1 d . . .
H25 H 0.1025 0.4681 0.2026 0.105 Uiso 1 1 calc R . .
C26 C 0.1895(16) 0.4078(6) 0.2772(7) 0.080(3) Uani 1 1 d . . .
H26 H 0.0627 0.3947 0.2702 0.096 Uiso 1 1 calc R . .
C27 C 0.3505(14) 0.3826(4) 0.3278(5) 0.059(2) Uani 1 1 d . . .
H27 H 0.3340 0.3522 0.3534 0.070 Uiso 1 1 calc R . .
C28 C 1.0214(14) 0.1660(3) 0.2154(6) 0.051(2) Uani 1 1 d . . .
C29 C 0.8845(14) 0.1154(4) 0.3243(6) 0.057(2) Uani 1 1 d . . .
C30 C 1.2553(13) 0.1141(4) 0.3323(6) 0.057(2) Uani 1 1 d . . .
C31 C 0.751(4) 0.4042(14) 0.0455(12) 0.43(5) Uani 1 1 d D . .
H31A H 0.8694 0.3941 0.0317 0.519 Uiso 1 1 calc R . .
H31B H 0.6383 0.3900 0.0039 0.519 Uiso 1 1 calc R . .
C32 C 0.736(13) 0.4597(14) 0.040(5) 0.58(6) Uani 1 1 d D . .
H32A H 0.8290 0.4755 0.0857 0.876 Uiso 1 1 d R . .
H32B H 0.6033 0.4694 0.0382 0.876 Uiso 1 1 d R . .
H32C H 0.7618 0.4709 -0.0096 0.876 Uiso 1 1 d R . .
N1 N 1.1357(10) 0.1760(2) 0.4635(4) 0.0391(15) Uani 1 1 d . . .
N2 N 0.8866(8) 0.2324(3) 0.3478(3) 0.0347(13) Uani 1 1 d . . .
N3 N 0.5689(11) 0.1934(4) 0.1988(5) 0.067(2) Uani 1 1 d . . .
N4 N 0.7073(10) 0.3805(3) 0.3955(4) 0.0497(17) Uani 1 1 d . . .
O1 O 0.9859(11) 0.1639(2) 0.1446(3) 0.0583(17) Uani 1 1 d . . .
O2 O 0.7755(14) 0.0818(4) 0.3212(7) 0.110(3) Uani 1 1 d . . .
O3 O 1.3592(14) 0.0786(4) 0.3333(6) 0.113(3) Uani 1 1 d . . .
O4 O 0.757(2) 0.3783(4) 0.1267(11) 0.209(7) Uani 1 1 d D . .
H4A H 0.6443 0.3710 0.1269 0.313 Uiso 1 1 d RD . .

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
Re1 0.0463(2) 0.0332(2) 0.0297(2) -0.00249(11) 0.01301(14) 0.00034(11)
Cl1 0.0581(12) 0.0608(15) 0.0481(11) -0.0068(10) 0.0216(9) -0.0149(10)
C1 0.065(5) 0.041(5) 0.046(5) 0.009(4) 0.016(4) 0.006(4)
C2 0.070(5) 0.050(5) 0.039(4) 0.010(4) 0.003(4) 0.000(4)
C3 0.057(5) 0.066(6) 0.024(3) 0.005(4) 0.007(3) 0.003(4)
C4 0.052(4) 0.049(5) 0.027(3) 0.001(3) 0.012(3) 0.002(3)
C5 0.043(4) 0.029(4) 0.024(3) 0.002(3) 0.011(3) -0.003(3)
C6 0.045(4) 0.036(4) 0.029(4) -0.004(3) 0.013(3) -0.007(3)
C7 0.051(4) 0.038(4) 0.020(3) -0.002(3) 0.006(3) -0.001(3)
C8 0.061(5) 0.067(7) 0.057(6) -0.035(5) 0.008(5) -0.006(4)
C9 0.059(5) 0.090(8) 0.042(5) -0.029(5) 0.003(4) 0.015(5)
C10 0.062(5) 0.083(8) 0.030(4) 0.002(4) 0.007(4) 0.022(5)
C11 0.040(4) 0.040(4) 0.023(3) -0.005(3) 0.006(3) 0.000(3)
C12 0.038(4) 0.051(5) 0.029(3) -0.017(3) 0.003(3) 0.004(3)
C13 0.045(4) 0.039(4) 0.021(3) 0.001(3) 0.010(3) -0.002(3)
C14 0.052(4) 0.035(4) 0.025(3) 0.007(3) 0.006(3) 0.002(3)
C15 0.051(4) 0.033(5) 0.033(4) -0.005(3) 0.010(3) -0.002(3)
C16 0.080(6) 0.036(5) 0.037(4) 0.000(4) 0.016(4) -0.001(4)
C17 0.068(5) 0.043(5) 0.048(5) -0.006(4) 0.011(4) 0.000(4)
C18 0.086(7) 0.048(6) 0.059(6) -0.006(5) 0.004(5) -0.019(5)
C19 0.114(9) 0.064(7) 0.041(5) -0.018(5) 0.011(5) -0.018(6)
C20 0.138(10) 0.069(8) 0.055(6) -0.027(6) 0.045(6) -0.010(7)
C21 0.068(6) 0.058(6) 0.057(5) -0.017(5) 0.017(4) -0.005(5)
C22 0.070(5) 0.042(5) 0.028(4) -0.001(3) 0.007(3) 0.012(4)
C23 0.100(7) 0.031(5) 0.064(6) -0.002(4) 0.012(5) 0.001(5)
C24 0.146(12) 0.045(7) 0.062(6) 0.008(5) 0.006(7) 0.031(7)
C25 0.110(9) 0.090(10) 0.048(6) -0.008(6) -0.001(6) 0.050(8)
C26 0.070(6) 0.103(10) 0.065(6) -0.030(7) 0.016(5) 0.007(6)
C27 0.074(6) 0.057(6) 0.039(4) -0.009(4) 0.008(4) 0.011(5)
C28 0.051(5) 0.044(6) 0.060(6) -0.009(4) 0.022(4) 0.000(3)
C29 0.078(6) 0.029(5) 0.067(6) -0.003(4) 0.028(5) -0.003(4)
C30 0.064(5) 0.053(6) 0.054(5) 0.002(4) 0.017(4) 0.007(4)
C31 0.21(3) 0.99(14) 0.113(18) -0.10(4) 0.069(19) -0.28(5)
C32 0.84(13) 0.20(5) 0.62(13) 0.22(7) 0.07(10) 0.03(7)
N1 0.049(4) 0.036(4) 0.032(3) 0.004(3) 0.012(3) 0.003(3)
N2 0.042(3) 0.038(4) 0.025(3) -0.003(3) 0.011(2) -0.003(3)
N3 0.058(4) 0.079(7) 0.060(5) -0.020(4) 0.010(4) 0.000(4)
N4 0.068(4) 0.037(4) 0.035(3) -0.006(3) 0.001(3) 0.011(3)
O1 0.096(5) 0.059(5) 0.024(3) -0.009(2) 0.025(3) 0.003(3)
O2 0.118(7) 0.082(7) 0.144(9) -0.036(6) 0.058(6) -0.054(6)
O3 0.115(7) 0.104(8) 0.124(8) 0.006(6) 0.043(6) 0.056(6)
O4 0.202(14) 0.189(17) 0.25(2) -0.089(15) 0.095(14) -0.047(12)

_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 C29 1.879(9) . ?
Re1 C30 1.885(10) . ?
Re1 C28 1.921(11) . ?
Re1 N1 2.185(7) . ?
Re1 N2 2.213(6) . ?
Re1 Cl1 2.482(2) . ?
C1 N1 1.340(11) . ?
C1 C2 1.359(12) . ?
C1 H1 0.9300 . ?
C2 C3 1.388(14) . ?
C2 H2 0.9300 . ?
C3 C4 1.373(11) . ?
C3 H3 0.9300 . ?
C4 C5 1.384(9) . ?
C4 H4 0.9300 . ?
C5 N1 1.355(10) . ?
C5 C6 1.484(9) . ?
C6 N2 1.371(8) . ?
C6 C7 1.372(10) . ?
C7 C15 1.399(10) . ?
C7 H7 0.9300 . ?
C8 C9 1.366(16) . ?
C8 N3 1.389(11) . ?
C8 H8 0.9300 . ?
C9 C10 1.395(15) . ?
C9 H9 0.9300 . ?
C10 C11 1.316(10) . ?
C10 H10 0.9300 . ?
C11 C12 1.324(11) . ?
C11 H11 0.9300 . ?
C12 N3 1.395(12) . ?
C12 C13 1.503(9) . ?
C13 N2 1.350(9) . ?
C13 C14 1.369(11) . ?
C14 C15 1.396(10) . ?
C14 H14 0.9300 . ?
C15 N4 1.385(10) . ?
C16 C17 1.379(12) . ?
C16 C21 1.393(13) . ?
C16 N4 1.426(10) . ?
C17 C18 1.395(12) . ?
C17 H17 0.9300 . ?
C18 C19 1.347(16) . ?
C18 H18 0.9300 . ?
C19 C20 1.380(16) . ?
C19 H19 0.9300 . ?
C20 C21 1.379(13) . ?
C20 H20 0.9300 . ?
C21 H21 0.9300 . ?
C22 C27 1.346(13) . ?
C22 C23 1.376(13) . ?
C22 N4 1.447(9) . ?
C23 C24 1.373(15) . ?
C23 H23 0.9300 . ?
C24 C25 1.305(18) . ?
C24 H24 0.9300 . ?
C25 C26 1.368(18) . ?
C25 H25 0.9300 . ?
C26 C27 1.376(14) . ?
C26 H26 0.9300 . ?
C27 H27 0.9300 . ?
C28 O1 1.167(12) . ?
C29 O2 1.155(12) . ?
C30 O3 1.177(12) . ?
C31 C32 1.452(10) . ?
C31 O4 1.536(10) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 H32A 0.9600 . ?
C32 H32B 0.9600 . ?
C32 H32C 0.9600 . ?
O4 H4A 0.8200 . ?

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
C29 Re1 C30 86.4(5) . . ?
C29 Re1 C28 90.0(4) . . ?
C30 Re1 C28 85.1(4) . . ?
C29 Re1 N1 93.9(3) . . ?
C30 Re1 N1 98.1(3) . . ?
C28 Re1 N1 175.1(3) . . ?
C29 Re1 N2 97.1(3) . . ?
C30 Re1 N2 172.2(3) . . ?
C28 Re1 N2 101.7(3) . . ?
N1 Re1 N2 74.8(2) . . ?
C29 Re1 Cl1 178.2(3) . . ?
C30 Re1 Cl1 94.2(3) . . ?
C28 Re1 Cl1 91.7(3) . . ?
N1 Re1 Cl1 84.38(19) . . ?
N2 Re1 Cl1 82.14(17) . . ?
N1 C1 C2 122.8(9) . . ?
N1 C1 H1 118.6 . . ?
C2 C1 H1 118.6 . . ?
C1 C2 C3 118.6(8) . . ?
C1 C2 H2 120.7 . . ?
C3 C2 H2 120.7 . . ?
C4 C3 C2 119.1(7) . . ?
C4 C3 H3 120.5 . . ?
C2 C3 H3 120.5 . . ?
C3 C4 C5 120.1(8) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
N1 C5 C4 120.1(7) . . ?
N1 C5 C6 116.0(6) . . ?
C4 C5 C6 123.9(7) . . ?
N2 C6 C7 123.7(6) . . ?
N2 C6 C5 115.0(6) . . ?
C7 C6 C5 121.3(6) . . ?
C6 C7 C15 119.9(6) . . ?
C6 C7 H7 120.1 . . ?
C15 C7 H7 120.1 . . ?
C9 C8 N3 119.7(10) . . ?
C9 C8 H8 120.2 . . ?
N3 C8 H8 120.2 . . ?
C8 C9 C10 119.7(8) . . ?
C8 C9 H9 120.2 . . ?
C10 C9 H9 120.2 . . ?
C11 C10 C9 120.6(9) . . ?
C11 C10 H10 119.7 . . ?
C9 C10 H10 119.7 . . ?
C10 C11 C12 120.3(8) . . ?
C10 C11 H11 119.8 . . ?
C12 C11 H11 119.8 . . ?
C11 C12 N3 122.8(7) . . ?
C11 C12 C13 117.8(7) . . ?
N3 C12 C13 119.2(7) . . ?
N2 C13 C14 123.6(6) . . ?
N2 C13 C12 118.8(7) . . ?
C14 C13 C12 117.3(6) . . ?
C13 C14 C15 120.6(6) . . ?
C13 C14 H14 119.7 . . ?
C15 C14 H14 119.7 . . ?
N4 C15 C14 121.4(7) . . ?
N4 C15 C7 122.1(7) . . ?
C14 C15 C7 116.5(7) . . ?
C17 C16 C21 119.6(8) . . ?
C17 C16 N4 120.4(8) . . ?
C21 C16 N4 120.0(8) . . ?
C16 C17 C18 119.8(9) . . ?
C16 C17 H17 120.1 . . ?
C18 C17 H17 120.1 . . ?
C19 C18 C17 120.4(10) . . ?
C19 C18 H18 119.8 . . ?
C17 C18 H18 119.8 . . ?
C18 C19 C20 120.3(9) . . ?
C18 C19 H19 119.9 . . ?
C20 C19 H19 119.9 . . ?
C21 C20 C19 120.5(10) . . ?
C21 C20 H20 119.8 . . ?
C19 C20 H20 119.8 . . ?
C20 C21 C16 119.4(10) . . ?
C20 C21 H21 120.3 . . ?
C16 C21 H21 120.3 . . ?
C27 C22 C23 120.2(8) . . ?
C27 C22 N4 121.9(8) . . ?
C23 C22 N4 118.0(9) . . ?
C24 C23 C22 119.1(11) . . ?
C24 C23 H23 120.5 . . ?
C22 C23 H23 120.5 . . ?
C25 C24 C23 121.8(12) . . ?
C25 C24 H24 119.1 . . ?
C23 C24 H24 119.1 . . ?
C24 C25 C26 119.1(11) . . ?
C24 C25 H25 120.4 . . ?
C26 C25 H25 120.4 . . ?
C25 C26 C27 121.3(12) . . ?
C25 C26 H26 119.3 . . ?
C27 C26 H26 119.3 . . ?
C22 C27 C26 118.5(11) . . ?
C22 C27 H27 120.7 . . ?
C26 C27 H27 120.7 . . ?
O1 C28 Re1 178.0(8) . . ?
O2 C29 Re1 176.7(10) . . ?
O3 C30 Re1 175.5(10) . . ?
C32 C31 O4 119(3) . . ?
C32 C31 H31A 107.6 . . ?
O4 C31 H31A 107.6 . . ?
C32 C31 H31B 107.6 . . ?
O4 C31 H31B 107.6 . . ?
H31A C31 H31B 107.0 . . ?
C31 C32 H32A 110.6 . . ?
C31 C32 H32B 108.4 . . ?
H32A C32 H32B 109.5 . . ?
C31 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
C1 N1 C5 119.4(7) . . ?
C1 N1 Re1 124.2(6) . . ?
C5 N1 Re1 116.4(5) . . ?
C13 N2 C6 115.7(6) . . ?
C13 N2 Re1 127.6(5) . . ?
C6 N2 Re1 114.0(4) . . ?
C8 N3 C12 116.9(9) . . ?
C15 N4 C16 122.7(6) . . ?
C15 N4 C22 119.8(6) . . ?
C16 N4 C22 117.2(7) . . ?
C31 O4 H4A 109.5 . . ?

_diffrn_measured_fraction_theta_max 0.979
_diffrn_reflns_theta_full        25.00
_diffrn_measured_fraction_theta_full 0.979
_refine_diff_density_max         3.533
_refine_diff_density_min         -2.351
_refine_diff_density_rms         0.176