_symmetry_cell_setting            Monoclinic 
_symmetry_space_group_name_H-M    Cc 
  
_cell_length_a                    9.6785(5) 
_cell_length_b                    13.9686(8) 
_cell_length_c                    19.8210(11) 
_cell_angle_alpha                 90.00 
_cell_angle_beta                  91.3540(10) 
_cell_angle_gamma                 90.00 
_cell_volume                      2679.0(3) 
_cell_formula_units_Z             4 

_diffrn_ambient_temperature       113(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          4116 
_refine_ls_number_parameters      295 
_refine_ls_number_restraints      2 
_refine_ls_R_factor_all           0.0197 
_refine_ls_R_factor_gt            0.0193 
_refine_ls_wR_factor_ref          0.0450 
_refine_ls_wR_factor_gt           0.0446 
_refine_ls_goodness_of_fit_ref    1.032 
_refine_ls_restrained_S_all       1.032 
_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 
Co1 Co 0.44596(3) 0.77369(2) 0.525401(17) 0.01834(8) Uani 1 1 d . . . 
Co2 Co 0.25625(3) 0.74047(2) 0.250260(16) 0.01558(7) Uani 1 1 d . . . 
S1 S 0.10032(6) 0.74533(4) 0.35095(3) 0.01937(13) Uani 1 1 d . . . 
S2 S 0.76503(7) 1.02353(6) 0.48869(4) 0.03783(18) Uani 1 1 d . . . 
S3 S 0.77265(7) 0.52325(6) 0.51647(4) 0.03844(18) Uani 1 1 d . . . 
S4 S 0.24031(7) 0.87740(5) 0.72263(3) 0.03327(16) Uani 1 1 d . . . 
N1 N 0.38905(18) 0.64229(14) 0.29945(10) 0.0189(4) Uani 1 1 d . . . 
N2 N 0.14749(18) 0.62381(14) 0.20797(9) 0.0197(4) Uani 1 1 d . . . 
N3 N 0.3767(2) 0.73889(14) 0.16211(11) 0.0214(5) Uani 1 1 d . . . 
N4 N 0.12253(19) 0.83868(15) 0.20323(9) 0.0213(4) Uani 1 1 d . . . 
N5 N 0.37194(18) 0.85481(15) 0.29276(10) 0.0202(4) Uani 1 1 d . . . 
N6 N 0.3045(2) 0.76695(13) 0.45228(11) 0.0222(4) Uani 1 1 d . . . 
N7 N 0.56674(19) 0.88339(14) 0.51094(10) 0.0244(4) Uani 1 1 d . . . 
N8 N 0.56795(18) 0.66323(14) 0.51893(9) 0.0220(4) Uani 1 1 d . . . 
N9 N 0.3520(2) 0.78788(16) 0.61100(10) 0.0244(5) Uani 1 1 d . . . 
N10 N -0.2294(2) 0.89561(17) 0.28168(13) 0.0404(6) Uani 1 1 d . . . 
C1 C 0.5387(2) 0.51144(17) 0.35811(13) 0.0264(6) Uani 1 1 d . . . 
C2 C 0.4538(2) 0.58461(17) 0.32536(11) 0.0186(5) Uani 1 1 d . . . 
C3 C 0.0440(2) 0.46876(17) 0.15513(12) 0.0255(5) Uani 1 1 d . . . 
C4 C 0.1014(2) 0.55575(17) 0.18461(12) 0.0190(5) Uani 1 1 d . . . 
C5 C 0.4930(3) 0.7271(2) 0.04562(13) 0.0384(7) Uani 1 1 d . . . 
C6 C 0.4280(2) 0.73361(17) 0.11090(14) 0.0237(6) Uani 1 1 d . . . 
C7 C -0.0399(2) 0.96819(18) 0.15190(13) 0.0275(6) Uani 1 1 d . . . 
C8 C 0.0514(2) 0.89478(18) 0.18034(11) 0.0197(5) Uani 1 1 d . . . 
C9 C 0.4725(2) 1.00493(18) 0.35355(13) 0.0265(6) Uani 1 1 d . . . 
C10 C 0.4163(2) 0.92039(17) 0.31986(11) 0.0180(5) Uani 1 1 d . . . 
C11 C 0.2205(2) 0.75762(15) 0.41062(12) 0.0164(5) Uani 1 1 d . . . 
C12 C 0.6501(2) 0.94174(17) 0.50202(11) 0.0217(5) Uani 1 1 d . . . 
C13 C 0.6540(2) 0.60542(18) 0.51791(11) 0.0221(5) Uani 1 1 d . . . 
C14 C 0.3056(2) 0.82466(18) 0.65782(12) 0.0218(5) Uani 1 1 d . . . 
C15 C -0.2774(3) 0.76739(19) 0.37309(14) 0.0323(6) Uani 1 1 d . . . 
C16 C -0.2499(2) 0.83818(19) 0.32161(13) 0.0285(6) Uani 1 1 d . . . 
H1A H 0.5621 0.4621 0.3251 0.040 Uiso 1 1 calc R . . 
H1B H 0.4874 0.4823 0.3949 0.040 Uiso 1 1 calc R . . 
H1C H 0.6238 0.5406 0.3764 0.040 Uiso 1 1 calc R . . 
H3A H 0.0920 0.4538 0.1135 0.038 Uiso 1 1 calc R . . 
H3B H -0.0546 0.4781 0.1449 0.038 Uiso 1 1 calc R . . 
H3C H 0.0560 0.4158 0.1871 0.038 Uiso 1 1 calc R . . 
H5A H 0.5932 0.7208 0.0523 0.058 Uiso 1 1 calc R . . 
H5B H 0.4724 0.7851 0.0194 0.058 Uiso 1 1 calc R . . 
H5C H 0.4570 0.6711 0.0212 0.058 Uiso 1 1 calc R . . 
H7A H -0.1025 0.9907 0.1866 0.041 Uiso 1 1 calc R . . 
H7B H -0.0939 0.9412 0.1140 0.041 Uiso 1 1 calc R . . 
H7C H 0.0155 1.0220 0.1359 0.041 Uiso 1 1 calc R . . 
H9A H 0.4444 1.0623 0.3283 0.040 Uiso 1 1 calc R . . 
H9B H 0.5736 1.0009 0.3556 0.040 Uiso 1 1 calc R . . 
H9C H 0.4374 1.0085 0.3994 0.040 Uiso 1 1 calc R . . 
H15A H -0.2617 0.7958 0.4178 0.048 Uiso 1 1 calc R . . 
H15B H -0.2155 0.7125 0.3677 0.048 Uiso 1 1 calc R . . 
H15C H -0.3736 0.7460 0.3686 0.048 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 
Co1 0.02004(15) 0.01999(17) 0.01500(16) -0.00098(13) 0.00079(12) 0.00010(14) 
Co2 0.01620(14) 0.01550(15) 0.01498(16) 0.00020(13) -0.00119(11) 0.00013(13) 
S1 0.0172(3) 0.0226(3) 0.0183(3) -0.0001(2) 0.0001(2) -0.0002(2) 
S2 0.0432(4) 0.0454(5) 0.0248(4) 0.0003(3) -0.0020(3) -0.0254(4) 
S3 0.0388(4) 0.0471(5) 0.0292(4) -0.0040(3) -0.0041(3) 0.0232(3) 
S4 0.0342(3) 0.0421(4) 0.0239(3) -0.0054(3) 0.0087(3) 0.0043(3) 
N1 0.0188(9) 0.0206(11) 0.0174(10) -0.0032(9) -0.0001(8) -0.0007(9) 
N2 0.0195(9) 0.0219(11) 0.0175(11) -0.0014(9) -0.0014(8) -0.0005(9) 
N3 0.0249(11) 0.0190(11) 0.0203(13) 0.0000(8) 0.0024(9) 0.0001(8) 
N4 0.0238(10) 0.0216(11) 0.0185(11) 0.0000(9) -0.0010(8) 0.0003(9) 
N5 0.0202(9) 0.0226(12) 0.0179(11) 0.0037(9) -0.0010(8) -0.0014(9) 
N6 0.0272(11) 0.0213(11) 0.0181(11) -0.0006(9) 0.0029(9) 0.0001(9) 
N7 0.0270(10) 0.0232(11) 0.0230(11) -0.0020(9) 0.0033(8) -0.0008(9) 
N8 0.0230(9) 0.0227(11) 0.0204(11) -0.0001(9) 0.0023(8) 0.0009(9) 
N9 0.0246(11) 0.0311(12) 0.0174(12) -0.0005(10) -0.0010(9) 0.0039(10) 
N10 0.0397(13) 0.0359(14) 0.0455(15) 0.0023(12) -0.0014(11) 0.0011(11) 
C1 0.0259(12) 0.0237(13) 0.0296(15) 0.0051(11) -0.0037(10) 0.0062(11) 
C2 0.0190(10) 0.0195(12) 0.0174(12) -0.0036(10) 0.0019(9) -0.0012(10) 
C3 0.0307(12) 0.0233(13) 0.0224(13) 0.0005(11) -0.0011(10) -0.0054(11) 
C4 0.0190(10) 0.0214(13) 0.0167(12) 0.0027(10) 0.0007(9) -0.0003(10) 
C5 0.0402(16) 0.057(2) 0.0181(15) -0.0002(13) 0.0093(11) 0.0010(14) 
C6 0.0207(12) 0.0248(14) 0.0256(15) 0.0012(11) -0.0013(11) -0.0013(10) 
C7 0.0309(12) 0.0291(14) 0.0222(14) -0.0002(11) -0.0049(10) 0.0094(11) 
C8 0.0223(11) 0.0246(13) 0.0122(11) -0.0033(10) -0.0002(9) -0.0013(11) 
C9 0.0292(12) 0.0255(14) 0.0248(14) -0.0052(11) -0.0010(10) -0.0044(11) 
C10 0.0186(11) 0.0211(13) 0.0144(12) 0.0042(10) 0.0013(9) 0.0010(10) 
C11 0.0188(11) 0.0149(12) 0.0157(13) 0.0004(9) 0.0024(10) 0.0013(9) 
C12 0.0253(11) 0.0260(13) 0.0139(12) -0.0014(10) -0.0008(9) 0.0043(11) 
C13 0.0250(11) 0.0286(14) 0.0126(12) -0.0011(10) 0.0007(9) -0.0032(11) 
C14 0.0184(10) 0.0279(14) 0.0189(13) 0.0044(11) -0.0015(9) -0.0018(10) 
C15 0.0305(14) 0.0387(17) 0.0279(16) -0.0008(12) 0.0048(11) -0.0017(12) 
C16 0.0239(12) 0.0291(15) 0.0323(15) -0.0069(13) -0.0018(10) 0.0015(11)