_space_group_crystal_system 'triclinic' _space_group_name_H-M_alt 'P -1' _cell_length_a 7.0140(14) _cell_length_b 9.3860(19) _cell_length_c 13.632(3) _cell_angle_alpha 70.15(3) _cell_angle_beta 79.82(3) _cell_angle_gamma 68.78(3) _cell_volume 785.4(4) _cell_formula_units_Z 2 _diffrn_ambient_temperature 123(1) _diffrn_radiation_type 'CuK\a' _diffrn_radiation_wavelength 1.54180 _diffrn_measurement_device_type 'Oxford Diffraction, Gemini R Ultra' _diffrn_radiation_monochromator 'mirrors' _diffrn_source 'Enhance Ultra (Cu) X-ray Source' _refine_ls_number_parameters 169 _refine_ls_number_reflns 1679 _refine_ls_number_restraints 36 _refine_ls_R_factor_all 0.0474 loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group W1 W 0.17858(8) 0.42929(6) 0.75787(4) 1.000 0.0203(3) d . . . W2 W 0.34823(8) 0.08443(6) 0.74411(4) 1.000 0.0207(3) d . . . P1 P 0.1456(5) 0.3371(4) 0.6203(3) 1.000 0.0231(12) d . . . P2 P 0.3708(5) 0.1909(4) 0.8830(3) 1.000 0.0211(12) d . . . P3 P -0.0276(6) 0.6975(4) 0.6555(3) 1.000 0.0306(16) d . . . P4 P 0.1984(6) 0.5735(5) 0.8737(3) 1.000 0.0347(16) d . . . O1 O -0.2303(13) 0.3761(11) 0.8747(7) 1.000 0.036(4) d . . . O2 O 0.5733(14) 0.5113(11) 0.6411(8) 1.000 0.042(4) d . . . O3 O -0.0530(14) 0.0146(12) 0.8647(8) 1.000 0.045(4) d . . . O4 O 0.7511(14) 0.1519(11) 0.6215(7) 1.000 0.039(4) d . . . O5 O 0.6309(14) -0.2494(11) 0.8736(7) 1.000 0.046(4) d . . . O6 O 0.3241(16) -0.0817(13) 0.5872(8) 1.000 0.059(5) d . . . C1 C -0.0820(19) 0.3943(14) 0.8320(9) 1.000 0.013(3) d U . . C2 C 0.437(2) 0.4733(14) 0.6850(9) 1.000 0.019(3) d U . . C3 C 0.090(2) 0.0431(15) 0.8220(10) 1.000 0.024(3) d U . . C4 C 0.602(2) 0.1287(16) 0.6665(10) 1.000 0.027(3) d U . . C5 C 0.525(2) -0.1309(16) 0.8289(10) 1.000 0.024(3) d U . . C6 C 0.3332(19) -0.0258(16) 0.6418(10) 1.000 0.025(3) d U . . H1A H 0.239(5) 0.386(3) 0.534(5) 1.000 0.0280 c R . . H1B H -0.034(10) 0.3456(6) 0.6094(7) 1.000 0.0280 c R . . H2A H 0.271(5) 0.145(2) 0.971(5) 1.000 0.0260 c R . . H2B H 0.554(10) 0.1848(5) 0.8956(7) 1.000 0.0260 c R . . H3A H -0.041(8) 0.809(5) 0.704(3) 1.000 0.0460 c R . . H3B H -0.222(8) 0.697(2) 0.649(4) 1.000 0.0460 c R . . H3C H 0.065(6) 0.737(3) 0.556(4) 1.000 0.0460 c R . . H4A H 0.374(8) 0.533(6) 0.895(4) 1.000 0.0520 c R . . H4B H 0.093(10) 0.543(6) 0.953(4) 1.000 0.0520 c R . . H4C H 0.139(10) 0.716(6) 0.830(3) 1.000 0.0520 c 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 W1 0.0188(5) 0.0186(4) 0.0219(5) -0.0061(4) 0.0017(3) -0.0057(4) W2 0.0181(5) 0.0196(5) 0.0223(5) -0.0062(4) 0.0012(3) -0.0049(4) P1 0.023(2) 0.022(2) 0.023(2) -0.0060(18) -0.0026(18) -0.0061(19) P2 0.025(2) 0.023(2) 0.020(2) -0.0080(18) 0.0014(17) -0.0129(19) P3 0.032(3) 0.025(2) 0.033(3) -0.009(2) 0.000(2) -0.008(2) P4 0.037(3) 0.029(2) 0.044(3) -0.016(2) 0.000(2) -0.014(2) O1 0.017(6) 0.044(7) 0.053(7) -0.026(6) 0.015(5) -0.014(5) O2 0.021(6) 0.048(7) 0.049(7) -0.014(6) 0.009(5) -0.008(6) O3 0.030(7) 0.045(7) 0.064(8) -0.011(6) 0.005(6) -0.024(6) O4 0.036(7) 0.039(7) 0.049(7) -0.018(6) 0.004(5) -0.018(6) O5 0.050(8) 0.037(7) 0.037(7) -0.006(6) -0.017(6) 0.002(6) O6 0.074(9) 0.060(8) 0.072(9) -0.044(7) -0.005(6) -0.031(7) C1 0.011(5) 0.016(5) 0.013(5) -0.002(4) 0.001(4) -0.008(4) C2 0.016(5) 0.020(5) 0.020(5) -0.004(4) 0.000(4) -0.006(4) C3 0.022(5) 0.025(5) 0.026(5) -0.006(4) 0.003(4) -0.012(4) C4 0.025(6) 0.027(5) 0.025(5) -0.008(4) -0.001(4) -0.004(4) C5 0.025(5) 0.027(5) 0.019(5) -0.010(4) 0.002(4) -0.007(4) C6 0.025(5) 0.023(5) 0.029(5) -0.011(4) -0.001(4) -0.007(4)