data_global _amcsd_formula_title 'KV(C9H12)2.C4H8O.0.5C4H8O2' loop_ _publ_author_name 'Braga D' 'Sabatino P' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 46 _journal_year 1990 _journal_page_first 2308 _journal_page_last 2312 _publ_section_title ; Bis(arene)vanadium complexes. A structural study Sample: 2 ; _database_code_amcsd 0010223 _chemical_formula_sum 'V K C24 O2' _cell_length_a 10.213 _cell_length_b 18.518 _cell_length_c 13.402 _cell_angle_alpha 90 _cell_angle_beta 89.58 _cell_angle_gamma 90 _cell_volume 2534.576 _exptl_crystal_density_diffrn 1.075 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv V1 0.05600 0.25260 -0.11690 0.06100 K1 0.29480 0.15910 0.13690 0.06900 C1 0.04300 0.16600 -0.00550 0.06000 C2 0.14550 0.14940 -0.07460 0.06800 C3 0.24610 0.19930 -0.09570 0.07000 C4 0.24290 0.26580 -0.04350 0.07500 C5 0.14580 0.28600 0.02560 0.07500 C6 0.04390 0.23300 0.04520 0.06300 C7 -0.05840 0.10940 0.01860 0.09000 C8 0.15070 0.35710 0.08080 0.11600 C9 0.35710 0.18020 -0.16500 0.13200 C10 0.05270 0.25980 -0.28150 0.07700 C11 0.07160 0.32860 -0.24020 0.07800 C12 -0.00890 0.35990 -0.16950 0.07700 C13 -0.11980 0.31840 -0.13780 0.08000 C14 -0.14540 0.24740 -0.17350 0.06300 C15 -0.05800 0.21950 -0.24560 0.06000 C16 -0.26340 0.20390 -0.14530 0.09500 C17 0.01410 0.43620 -0.13440 0.15800 C18 0.14000 0.22900 -0.36330 0.12100 O1 -0.37580 0.42530 -0.25870 0.11100 O2 -0.06280 0.44900 -0.44190 0.11800 C19 -0.12740 0.50900 -0.46940 0.13900 C20 -0.08770 0.53590 -0.55750 0.14600 C21 -0.48000 0.39190 -0.20430 0.14700 C22 -0.55200 0.44570 -0.15780 0.23900 C23 -0.46990 0.51040 -0.15850 0.24500 C24 -0.36350 0.49520 -0.22230 0.14800