_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    C2/c 
    
_cell_length_a                    22.2922(10) 
_cell_length_b                    19.3663(9) 
_cell_length_c                    12.6188(6) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  95.5609(5) 
_cell_angle_gamma                 90.00 
_cell_volume                      5422.1(4) 
_cell_formula_units_Z             8 
  
_diffrn_ambient_temperature       88(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   'Bruker SMART APEX II CCD' 

_refine_ls_number_reflns          6742 
_refine_ls_number_parameters      299 
_refine_ls_goodness_of_fit_ref    1.036 
  
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 
Ta1 Ta 0.886629(3) 0.883396(3) 1.138462(5) 0.01175(2) Uani 1 1 d . . . 
Cl1 Cl 0.964395(19) 0.95971(2) 1.10701(3) 0.02047(8) Uani 1 1 d . . . 
Cl2 Cl 0.90024(2) 0.81264(2) 1.28819(3) 0.02323(9) Uani 1 1 d . . . 
N1 N 0.80456(6) 0.86588(7) 1.04940(11) 0.0124(3) Uani 1 1 d . . . 
N2 N 0.90212(6) 0.81694(7) 1.02588(11) 0.0139(3) Uani 1 1 d . . . 
N3 N 0.83018(6) 0.95199(7) 1.18668(11) 0.0132(3) Uani 1 1 d . . . 
C1 C 0.80314(7) 0.82542(8) 0.95622(12) 0.0126(3) Uani 1 1 d . . . 
C2 C 0.85991(7) 0.79681(8) 0.94330(13) 0.0131(3) Uani 1 1 d . . . 
C3 C 0.87006(7) 0.75763(8) 0.85394(13) 0.0141(3) Uani 1 1 d . . . 
H3A H 0.9088 0.7382 0.8483 0.017 Uiso 1 1 calc R . . 
C4 C 0.82390(7) 0.74671(8) 0.77283(12) 0.0130(3) Uani 1 1 d . . . 
C5 C 0.76766(7) 0.77513(9) 0.78629(13) 0.0154(3) Uani 1 1 d . . . 
H5A H 0.7354 0.7676 0.7326 0.018 Uiso 1 1 calc R . . 
C6 C 0.75679(7) 0.81413(9) 0.87524(13) 0.0151(3) Uani 1 1 d . . . 
H6A H 0.7179 0.8330 0.8809 0.018 Uiso 1 1 calc R . . 
C7 C 0.96473(8) 0.79098(9) 1.04071(14) 0.0190(3) Uani 1 1 d . . . 
H7A H 0.9827 0.8120 1.1089 0.023 Uiso 1 1 calc R . . 
C8 C 0.96738(9) 0.71297(10) 1.05916(17) 0.0281(4) Uani 1 1 d . . . 
H8A H 0.9439 0.7010 1.1183 0.042 Uiso 1 1 calc R . . 
H8B H 1.0094 0.6988 1.0766 0.042 Uiso 1 1 calc R . . 
H8C H 0.9506 0.6891 0.9945 0.042 Uiso 1 1 calc R . . 
C9 C 1.00360(8) 0.81667(11) 0.95533(16) 0.0257(4) Uani 1 1 d . . . 
H9A H 0.9992 0.8668 0.9477 0.039 Uiso 1 1 calc R . . 
H9B H 0.9906 0.7943 0.8873 0.039 Uiso 1 1 calc R . . 
H9C H 1.0459 0.8053 0.9763 0.039 Uiso 1 1 calc R . . 
C10 C 0.83465(7) 0.70958(8) 0.66920(13) 0.0148(3) Uani 1 1 d . . . 
C11 C 0.82913(8) 0.76303(9) 0.57836(13) 0.0181(3) Uani 1 1 d . . . 
H11A H 0.7883 0.7823 0.5710 0.027 Uiso 1 1 calc R . . 
H11B H 0.8372 0.7406 0.5116 0.027 Uiso 1 1 calc R . . 
H11C H 0.8584 0.8002 0.5947 0.027 Uiso 1 1 calc R . . 
C12 C 0.89734(8) 0.67630(9) 0.67476(14) 0.0194(3) Uani 1 1 d . . . 
H12A H 0.9283 0.7121 0.6872 0.029 Uiso 1 1 calc R . . 
H12B H 0.9022 0.6527 0.6074 0.029 Uiso 1 1 calc R . . 
H12C H 0.9016 0.6428 0.7332 0.029 Uiso 1 1 calc R . . 
C13 C 0.78726(8) 0.65257(9) 0.64525(14) 0.0183(3) Uani 1 1 d . . . 
H13A H 0.7468 0.6729 0.6407 0.027 Uiso 1 1 calc R . . 
H13B H 0.7912 0.6181 0.7024 0.027 Uiso 1 1 calc R . . 
H13C H 0.7935 0.6304 0.5774 0.027 Uiso 1 1 calc R . . 
C14 C 0.75345(7) 0.90303(8) 1.07647(12) 0.0121(3) Uani 1 1 d . . . 
C15 C 0.76910(7) 0.95609(8) 1.15052(12) 0.0130(3) Uani 1 1 d . . . 
C16 C 0.72610(7) 1.00156(8) 1.18202(13) 0.0142(3) Uani 1 1 d . . . 
H16A H 0.7380 1.0389 1.2282 0.017 Uiso 1 1 calc R . . 
C17 C 0.66491(7) 0.99253(9) 1.14582(13) 0.0139(3) Uani 1 1 d . . . 
C18 C 0.64948(7) 0.93584(9) 1.08138(13) 0.0146(3) Uani 1 1 d . . . 
H18A H 0.6081 0.9273 1.0600 0.018 Uiso 1 1 calc R . . 
C19 C 0.69273(7) 0.89105(8) 1.04703(13) 0.0142(3) Uani 1 1 d . . . 
H19A H 0.6806 0.8525 1.0036 0.017 Uiso 1 1 calc R . . 
C20 C 0.85983(7) 0.99110(9) 1.27841(13) 0.0167(3) Uani 1 1 d . . . 
H20A H 0.9013 0.9713 1.2912 0.020 Uiso 1 1 calc R . . 
C21 C 0.83077(8) 0.97903(10) 1.38189(14) 0.0222(4) Uani 1 1 d . . . 
H21A H 0.8267 0.9293 1.3938 0.033 Uiso 1 1 calc R . . 
H21B H 0.7908 1.0006 1.3766 0.033 Uiso 1 1 calc R . . 
H21C H 0.8561 0.9994 1.4416 0.033 Uiso 1 1 calc R . . 
C22 C 0.86878(8) 1.06705(9) 1.25172(16) 0.0233(4) Uani 1 1 d . . . 
H22A H 0.8882 1.0706 1.1855 0.035 Uiso 1 1 calc R . . 
H22B H 0.8943 1.0891 1.3097 0.035 Uiso 1 1 calc R . . 
H22C H 0.8296 1.0903 1.2428 0.035 Uiso 1 1 calc R . . 
C23 C 0.61816(7) 1.04289(9) 1.18280(13) 0.0157(3) Uani 1 1 d . . . 
C24 C 0.61756(8) 1.03706(10) 1.30423(14) 0.0211(4) Uani 1 1 d . . . 
H24A H 0.6056 0.9902 1.3227 0.032 Uiso 1 1 calc R . . 
H24B H 0.5888 1.0704 1.3286 0.032 Uiso 1 1 calc R . . 
H24C H 0.6579 1.0468 1.3388 0.032 Uiso 1 1 calc R . . 
C25 C 0.55442(8) 1.02822(10) 1.13034(15) 0.0226(4) Uani 1 1 d . . . 
H25A H 0.5421 0.9817 1.1497 0.034 Uiso 1 1 calc R . . 
H25B H 0.5542 1.0314 1.0528 0.034 Uiso 1 1 calc R . . 
H25C H 0.5263 1.0622 1.1550 0.034 Uiso 1 1 calc R . . 
C26 C 0.63513(9) 1.11708(9) 1.15416(16) 0.0215(4) Uani 1 1 d . . . 
H26A H 0.6755 1.1278 1.1878 0.032 Uiso 1 1 calc R . . 
H26B H 0.6059 1.1494 1.1797 0.032 Uiso 1 1 calc R . . 
H26C H 0.6348 1.1213 1.0767 0.032 Uiso 1 1 calc R . . 
  
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 
Ta1 0.01020(4) 0.01215(4) 0.01239(4) -0.00144(2) -0.00145(2) 0.00093(2) 
Cl1 0.01830(19) 0.01967(19) 0.0238(2) -0.00117(16) 0.00416(16) -0.00249(15) 
Cl2 0.0237(2) 0.0237(2) 0.0215(2) 0.00307(16) -0.00209(16) 0.00065(17) 
N1 0.0120(6) 0.0123(6) 0.0126(6) -0.0004(5) -0.0002(5) 0.0009(5) 
N2 0.0111(6) 0.0148(6) 0.0154(6) -0.0022(5) -0.0014(5) 0.0022(5) 
N3 0.0128(6) 0.0131(6) 0.0133(6) -0.0023(5) -0.0011(5) 0.0000(5) 
C1 0.0132(7) 0.0117(7) 0.0131(7) 0.0013(6) 0.0019(6) -0.0005(6) 
C2 0.0129(7) 0.0123(7) 0.0137(7) 0.0021(6) -0.0008(6) -0.0004(6) 
C3 0.0132(7) 0.0129(7) 0.0161(8) 0.0001(6) 0.0015(6) 0.0013(6) 
C4 0.0150(7) 0.0123(7) 0.0120(7) -0.0002(6) 0.0021(6) -0.0015(6) 
C5 0.0141(7) 0.0177(8) 0.0138(7) -0.0007(6) -0.0014(6) -0.0011(6) 
C6 0.0120(7) 0.0174(8) 0.0158(8) -0.0007(6) 0.0006(6) 0.0008(6) 
C7 0.0135(8) 0.0213(9) 0.0212(8) -0.0070(7) -0.0040(6) 0.0051(6) 
C8 0.0269(10) 0.0217(9) 0.0331(10) -0.0052(8) -0.0100(8) 0.0106(8) 
C9 0.0139(8) 0.0346(11) 0.0289(10) -0.0114(8) 0.0034(7) 0.0003(7) 
C10 0.0158(8) 0.0150(7) 0.0138(7) -0.0019(6) 0.0023(6) -0.0008(6) 
C11 0.0216(8) 0.0181(8) 0.0150(8) 0.0008(6) 0.0036(6) -0.0016(7) 
C12 0.0205(8) 0.0213(8) 0.0167(8) -0.0047(7) 0.0028(6) 0.0028(7) 
C13 0.0218(8) 0.0165(8) 0.0169(8) -0.0029(6) 0.0034(6) -0.0035(7) 
C14 0.0128(7) 0.0125(7) 0.0111(7) 0.0013(6) 0.0011(6) 0.0002(6) 
C15 0.0123(7) 0.0143(7) 0.0122(7) 0.0009(6) 0.0001(6) -0.0012(6) 
C16 0.0148(7) 0.0144(7) 0.0133(7) -0.0014(6) 0.0005(6) -0.0003(6) 
C17 0.0129(7) 0.0167(8) 0.0124(7) 0.0015(6) 0.0021(6) 0.0017(6) 
C18 0.0112(7) 0.0190(8) 0.0135(7) -0.0002(6) 0.0005(6) -0.0012(6) 
C19 0.0139(7) 0.0162(8) 0.0125(7) -0.0019(6) 0.0013(6) -0.0018(6) 
C20 0.0137(7) 0.0172(8) 0.0186(8) -0.0059(6) -0.0022(6) -0.0001(6) 
C21 0.0194(8) 0.0300(10) 0.0168(8) -0.0071(7) -0.0001(7) -0.0012(7) 
C22 0.0194(9) 0.0159(8) 0.0345(10) -0.0077(7) 0.0023(7) -0.0018(7) 
C23 0.0123(7) 0.0179(8) 0.0169(8) -0.0015(6) 0.0013(6) 0.0018(6) 
C24 0.0209(9) 0.0238(9) 0.0192(8) -0.0016(7) 0.0055(7) 0.0042(7) 
C25 0.0130(8) 0.0276(9) 0.0268(9) -0.0059(8) 0.0009(7) 0.0033(7) 
C26 0.0198(9) 0.0184(8) 0.0262(9) 0.0018(7) 0.0017(7) 0.0040(7)