_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    P2(1)/c 
  
_cell_length_a                    8.5877(19) 
_cell_length_b                    11.747(3) 
_cell_length_c                    9.730(2) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  114.822(3) 
_cell_angle_gamma                 90.00 
_cell_volume                      890.9(3) 
_cell_formula_units_Z             2 
  
_diffrn_ambient_temperature       150(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 APEX-II CCD' 

_refine_ls_number_reflns          2830 
_refine_ls_number_parameters      136 
_refine_ls_goodness_of_fit_ref    1.041 
_refine_ls_restrained_S_all       1.041 
  
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 
Co Co 0.0000 0.0000 0.0000 0.01409(7) Uani 1 2 d S . . 
F1 F -0.32121(11) 0.17077(7) -0.43676(9) 0.02556(17) Uani 1 1 d . . . 
F2 F -0.38746(10) 0.12978(7) -0.23705(10) 0.02552(17) Uani 1 1 d . . . 
O1 O -0.11279(11) 0.19323(8) -0.19984(10) 0.01863(17) Uani 1 1 d . . . 
O2 O 0.23185(13) -0.00136(7) 0.31658(10) 0.01915(18) Uani 1 1 d . . . 
N1 N -0.02125(13) 0.15415(8) -0.05609(12) 0.01524(18) Uani 1 1 d . . . 
N2 N 0.15393(13) 0.06061(9) 0.18630(11) 0.01564(19) Uani 1 1 d . . . 
N3 N -0.20336(15) 0.02247(9) 0.08803(13) 0.0209(2) Uani 1 1 d . . . 
C1 C 0.06917(18) 0.35207(10) 0.02760(16) 0.0214(2) Uani 1 1 d . . . 
H1A H 0.0070 0.3709 -0.0800 0.032 Uiso 1 1 calc R . . 
H1B H 0.1876 0.3795 0.0645 0.032 Uiso 1 1 calc R . . 
H1C H 0.0127 0.3885 0.0851 0.032 Uiso 1 1 calc R . . 
C2 C 0.06947(15) 0.22633(10) 0.04752(13) 0.0159(2) Uani 1 1 d . . . 
C3 C 0.17500(15) 0.17014(10) 0.19321(14) 0.0160(2) Uani 1 1 d . . . 
C4 C 0.29358(16) 0.23488(11) 0.32733(14) 0.0198(2) Uani 1 1 d . . . 
H4A H 0.3500 0.1825 0.4123 0.030 Uiso 1 1 calc R . . 
H4B H 0.2286 0.2919 0.3552 0.030 Uiso 1 1 calc R . . 
H4C H 0.3804 0.2730 0.3031 0.030 Uiso 1 1 calc R . . 
C5 C -0.29203(16) 0.05468(10) 0.13977(14) 0.0189(2) Uani 1 1 d . . . 
C6 C -0.40689(18) 0.09405(12) 0.20546(18) 0.0263(3) Uani 1 1 d . . . 
H6A H -0.4820 0.1538 0.1413 0.039 Uiso 1 1 calc R . . 
H6B H -0.3391 0.1246 0.3070 0.039 Uiso 1 1 calc R . . 
H6C H -0.4767 0.0302 0.2123 0.039 Uiso 1 1 calc R . . 
B B -0.26527(18) 0.12304(12) -0.29506(16) 0.0188(2) 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 
Co 0.01604(11) 0.01060(11) 0.01480(11) -0.00033(7) 0.00567(8) -0.00040(7) 
F1 0.0288(4) 0.0220(4) 0.0197(4) 0.0048(3) 0.0041(3) 0.0031(3) 
F2 0.0230(4) 0.0212(4) 0.0368(4) -0.0004(3) 0.0168(3) 0.0010(3) 
O1 0.0210(4) 0.0162(4) 0.0163(4) 0.0035(3) 0.0055(3) 0.0000(3) 
O2 0.0231(4) 0.0157(4) 0.0152(4) 0.0010(3) 0.0046(3) 0.0033(3) 
N1 0.0163(4) 0.0139(4) 0.0162(4) 0.0016(3) 0.0074(4) 0.0012(3) 
N2 0.0159(4) 0.0150(4) 0.0163(4) 0.0004(3) 0.0071(4) 0.0014(3) 
N3 0.0223(5) 0.0183(5) 0.0233(5) -0.0006(4) 0.0108(4) -0.0006(4) 
C1 0.0273(6) 0.0127(5) 0.0262(6) -0.0006(4) 0.0131(5) -0.0019(4) 
C2 0.0169(5) 0.0134(5) 0.0198(5) -0.0004(4) 0.0100(4) -0.0003(4) 
C3 0.0158(5) 0.0156(5) 0.0183(5) -0.0019(4) 0.0087(4) -0.0007(4) 
C4 0.0188(5) 0.0185(5) 0.0217(6) -0.0053(4) 0.0081(4) -0.0033(4) 
C5 0.0198(5) 0.0161(5) 0.0205(5) -0.0003(4) 0.0082(4) -0.0022(4) 
C6 0.0266(6) 0.0234(6) 0.0363(7) -0.0054(5) 0.0205(6) -0.0031(5) 
B 0.0186(6) 0.0170(6) 0.0193(6) 0.0011(5) 0.0066(5) 0.0017(5)