#------------------------------------------------------------------------------ #$Date: 2008-01-26 13:05:32 +0000 (Sat, 26 Jan 2008) $ #$Revision: 19 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000817.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_2000817 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1025 _journal_page_last 1027 loop_ _publ_author_name 'Okamoto, K.' 'Hidaka, J.' 'Fukagawa, M.' 'Kanamori, K.' _chemical_formula_moiety 'C6 H12 N1 O9 V1,4(H2 O1)' _chemical_formula_sum 'C6 H20 N1 O13 V' _chemical_formula_weight 365.17 _symmetry_cell_setting triclinic _symmetry_space_group_name_H-M 'P -1' _symmetry_space_group_name_Hall ? _cell_length_a 7.929(2) _cell_length_b 8.716(3) _cell_length_c 10.914(3) _cell_angle_alpha 98.77(2) _cell_angle_beta 90.30(2) _cell_angle_gamma 105.79(2) _cell_volume 716.4(8) _cell_formula_units_Z 2 _exptl_crystal_density_diffrn 1.693 _exptl_crystal_density_meas ? _exptl_crystal_F_000 380 _exptl_absorpt_coefficient_mu 0.73 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71073 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z V .04843(8) .35835(7) .22604(6) N .3041(4) .2995(4) .2162(3) O(1) .0071(4) .1389(3) .2808(3) O(2) .1109(5) -.0253(4) .3787(3) O(3) .1265(4) .3699(4) .0470(3) O(4) .2670(5) .2753(5) -.1101(3) O(5) .2222(4) .5371(4) .3449(3) O(6) .4970(4) .6850(4) .3959(4) O(7) -.0194(4) .5634(3) .1875(3) O(8) -.1095(4) .3822(4) .3765(3) O(9) -.1884(5) .2283(5) .1291(3) O(10) .1492(4) .3000(4) .6107(3) O(11) .3955(4) .0309(4) .7825(3) O(12) .3142(4) .8759(4) .5374(3) O(13) .2751(6) .8004(7) .1097(4) C(1) .1315(5) .0940(5) .3264(4) C(2) .3134(5) .2002(5) .3136(4) C(3) .2313(5) .2884(5) .0002(4) C(4) .3096(5) .2089(5) .0911(4) C(5) .3882(5) .5681(5) .3346(4) C(6) .4467(5) .4521(5) .2377(4)