_space_group_crystal_system      monoclinic
_space_group_name_H-M_alt        'P 1 21/n 1'

_cell_length_a                   11.192(4)
_cell_length_b                   15.232(5)
_cell_length_c                   12.035(4)
_cell_angle_beta                 95.257(6)
_cell_volume                     2043.1(12)
_cell_formula_units_Z            4

_diffrn_ambient_temperature      90(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'sealed X-ray tube'

_refine_ls_number_parameters     241
_refine_ls_number_reflns         8742
_refine_ls_R_factor_all          0.0780
_refine_ls_R_factor_gt           0.0580
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
Mo1 Mo 0.82895(4) 0.16626(3) 0.72412(4) 0.01946(12) Uani 1 1 d . . . . .
Co1 Co 0.32373(6) 0.42955(5) 0.75873(6) 0.01526(15) Uani 1 1 d . . . . .
Cl1 Cl 1.02047(15) 0.22909(11) 0.68831(19) 0.0436(5) Uani 1 1 d . . . . .
Cl2 Cl 0.90416(15) 0.09288(11) 0.89665(13) 0.0299(3) Uani 1 1 d . . . . .
O1 O 0.7964(5) 0.0213(4) 0.5579(4) 0.0412(12) Uani 1 1 d . . . . .
N1 N 0.8214(5) 0.0750(3) 0.6249(4) 0.0242(10) Uani 1 1 d . . . . .
C11 C 0.7110(5) 0.2609(4) 0.8319(5) 0.0223(12) Uani 1 1 d . . . . .
C12 C 0.6404(5) 0.1899(4) 0.7838(5) 0.0206(11) Uani 1 1 d . . . . .
C13 C 0.6318(5) 0.1992(4) 0.6657(5) 0.0195(10) Uani 1 1 d . . . . .
C14 C 0.7029(5) 0.2731(4) 0.6413(5) 0.0240(12) Uani 1 1 d . . . . .
C15 C 0.7495(5) 0.3119(3) 0.7434(6) 0.0271(13) Uani 1 1 d . . . . .
C16 C 0.7334(6) 0.2777(5) 0.9538(6) 0.0384(18) Uani 1 1 d . . . . .
H16A H 0.765150 0.224448 0.991355 0.058 Uiso 1 1 calc GR . . . .
H16B H 0.658006 0.294387 0.983608 0.058 Uiso 1 1 calc GR . . . .
H16C H 0.791714 0.325474 0.966655 0.058 Uiso 1 1 calc GR . . . .
C17 C 0.5751(5) 0.1237(4) 0.8485(6) 0.0306(14) Uani 1 1 d . . . . .
H17A H 0.552436 0.073274 0.800610 0.046 Uiso 1 1 calc GR . . . .
H17B H 0.502802 0.150674 0.873663 0.046 Uiso 1 1 calc GR . . . .
H17C H 0.627598 0.104067 0.913402 0.046 Uiso 1 1 calc GR . . . .
C18 C 0.5557(6) 0.1435(5) 0.5855(6) 0.0349(16) Uani 1 1 d . . . . .
H18A H 0.570226 0.159406 0.508958 0.052 Uiso 1 1 calc GR . . . .
H18B H 0.470939 0.152914 0.596212 0.052 Uiso 1 1 calc GR . . . .
H18C H 0.576057 0.081531 0.598549 0.052 Uiso 1 1 calc GR . . . .
C19 C 0.7103(7) 0.3153(5) 0.5286(7) 0.047(2) Uani 1 1 d . . . . .
H19A H 0.793412 0.332777 0.520815 0.071 Uiso 1 1 calc GR . . . .
H19B H 0.658448 0.367186 0.522177 0.071 Uiso 1 1 calc GR . . . .
H19C H 0.684022 0.273217 0.469804 0.071 Uiso 1 1 calc GR . . . .
C20 C 0.8234(6) 0.3935(4) 0.7526(8) 0.048(2) Uani 1 1 d . . . . .
H20A H 0.859276 0.400175 0.829560 0.072 Uiso 1 1 calc GR . . . .
H20B H 0.772430 0.444335 0.732215 0.072 Uiso 1 1 calc GR . . . .
H20C H 0.887187 0.389565 0.702195 0.072 Uiso 1 1 calc GR . . . .
C1 C 0.1528(5) 0.4464(4) 0.6929(6) 0.0274(13) Uani 1 1 d . . . . .
H1 H 0.099578 0.401325 0.665106 0.033 Uiso 1 1 calc R . . . .
C2 C 0.2317(5) 0.4941(4) 0.6312(5) 0.0212(11) Uani 1 1 d . . . . .
H2 H 0.240383 0.487154 0.553865 0.025 Uiso 1 1 calc R . . . .
C3 C 0.2960(5) 0.5543(3) 0.7040(5) 0.0221(11) Uani 1 1 d . . . . .
H3 H 0.355691 0.594287 0.684318 0.026 Uiso 1 1 calc R . . . .
C4 C 0.2555(6) 0.5442(4) 0.8104(5) 0.0281(13) Uani 1 1 d . . . . .
H4 H 0.282993 0.576539 0.875305 0.034 Uiso 1 1 calc R . . . .
C5 C 0.1674(6) 0.4781(4) 0.8044(6) 0.0319(15) Uani 1 1 d . . . . .
H5 H 0.125083 0.458043 0.864382 0.038 Uiso 1 1 calc R . . . .
C6 C 0.3838(5) 0.3358(4) 0.8705(6) 0.0285(13) Uani 1 1 d . . . . .
H6 H 0.348904 0.319222 0.936452 0.034 Uiso 1 1 calc R . . . .
C7 C 0.3567(5) 0.2991(4) 0.7633(6) 0.0277(13) Uani 1 1 d . . . . .
H7 H 0.299956 0.254022 0.744111 0.033 Uiso 1 1 calc R . . . .
C8 C 0.4296(5) 0.3418(4) 0.6894(5) 0.0253(12) Uani 1 1 d . . . . .
H8 H 0.430380 0.329878 0.612043 0.030 Uiso 1 1 calc R . . . .
C9 C 0.5010(5) 0.4052(4) 0.7504(6) 0.0261(13) Uani 1 1 d . . . . .
H9 H 0.557902 0.443254 0.721619 0.031 Uiso 1 1 calc R . . . .
C10 C 0.4719(5) 0.4015(4) 0.8624(5) 0.0252(12) Uani 1 1 d . . . . .
H10 H 0.505743 0.437172 0.921921 0.030 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
Mo1 0.0180(2) 0.0178(2) 0.0238(2) 0.00333(19) 0.00851(17) 0.00583(17)
Co1 0.0160(3) 0.0114(3) 0.0188(3) 0.0025(3) 0.0041(3) 0.0023(2)
Cl1 0.0263(7) 0.0262(8) 0.0815(14) 0.0128(9) 0.0226(8) 0.0029(6)
Cl2 0.0355(8) 0.0292(8) 0.0260(7) 0.0010(6) 0.0081(6) 0.0105(6)
O1 0.052(3) 0.044(3) 0.028(3) 0.003(2) 0.005(2) 0.017(3)
N1 0.032(3) 0.017(2) 0.025(2) 0.009(2) 0.006(2) 0.007(2)
C11 0.014(2) 0.021(3) 0.032(3) -0.008(2) 0.000(2) 0.0041(19)
C12 0.014(2) 0.021(3) 0.028(3) 0.002(2) 0.007(2) 0.0020(18)
C13 0.018(2) 0.017(2) 0.024(3) -0.001(2) 0.004(2) 0.0046(19)
C14 0.025(3) 0.019(3) 0.030(3) 0.009(2) 0.012(2) 0.004(2)
C15 0.016(2) 0.012(2) 0.055(4) -0.004(3) 0.012(2) 0.0005(18)
C16 0.030(3) 0.055(5) 0.030(4) -0.021(3) -0.001(3) 0.017(3)
C17 0.021(3) 0.030(3) 0.042(4) 0.014(3) 0.010(3) 0.004(2)
C18 0.031(3) 0.033(4) 0.040(4) -0.012(3) -0.005(3) 0.009(3)
C19 0.057(5) 0.043(4) 0.047(4) 0.030(4) 0.032(4) 0.031(4)
C20 0.024(3) 0.019(3) 0.103(7) -0.008(4) 0.022(4) -0.003(2)
C1 0.018(3) 0.020(3) 0.043(4) 0.006(3) -0.001(2) 0.002(2)
C2 0.025(3) 0.017(3) 0.021(3) 0.002(2) 0.000(2) 0.004(2)
C3 0.025(3) 0.011(2) 0.029(3) 0.002(2) -0.001(2) 0.0028(19)
C4 0.042(3) 0.023(3) 0.018(3) -0.002(2) -0.001(2) 0.017(3)
C5 0.030(3) 0.033(3) 0.036(3) 0.014(3) 0.018(3) 0.015(3)
C6 0.028(3) 0.019(3) 0.040(4) 0.016(3) 0.012(3) 0.007(2)
C7 0.024(3) 0.012(2) 0.048(4) 0.004(3) 0.004(3) 0.004(2)
C8 0.024(3) 0.020(3) 0.031(3) -0.006(3) 0.004(2) 0.006(2)
C9 0.015(2) 0.023(3) 0.042(4) 0.006(3) 0.008(2) 0.004(2)
C10 0.023(3) 0.021(3) 0.031(3) 0.001(2) -0.002(2) 0.007(2)