#------------------------------------------------------------------------------ #$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $ #$Revision: 14 $ #$URL: svn://www.crystallography.net/cod/cif/2/2000740.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_2000740 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1202 _journal_page_last 1204 loop_ _publ_author_name 'Taqui Khan, M.M.' 'Bhadbhade, M.M.' 'Venkatasubramanian, K.' 'Siddiqui, M.R.H.' _chemical_formula_moiety 'C10 H14 Cl2 N2 O8 Ru1,K1' _chemical_formula_sum 'C10 H14 Cl2 K1 N2 O8 Ru1' _chemical_formula_weight 501 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 1 21/n 1' _symmetry_space_group_name_Hall '-P 2yn' _cell_length_a 10.4470(6) _cell_length_b 13.947(2) _cell_length_c 11.296(3) _cell_angle_alpha 90. _cell_angle_beta 106.100(10) _cell_angle_gamma 90. _cell_volume 1581.0(10) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 2.097 _exptl_crystal_density_meas ? _exptl_crystal_F_000 996 _exptl_absorpt_coefficient_mu 1.613 _diffrn_radiation_type Mo _diffrn_radiation_wavelength 0.71069 loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z Ru1 .218890(10) .742410(10) .061010(10) K .88269(5) .64591(4) .12544(5) Cl21 .11669(5) .58970(3) .00566(5) Cl22 .01141(4) .81916(4) .00626(4) O13 .4696(3) 1.0595(2) .1613(4) O15 .2036(2) .8062(3) .4032(2) O16 .2068(2) .7288(2) .23580(10) O17 .3290(2) .68340(10) -.24430(10) O18 .24350(10) .75800(10) -.11020(10) O19 .6532(2) .56550(10) .1644(2) O20 .5494(2) .47680(10) .2761(2) O141 .2872(3) 1.1138(2) .0224(3) O142 .2611(7) 1.0868(5) .1313(7) N1 .32190(10) .86780(10) .13880(10) N4 .41200(10) .68410(10) .08790(10) C2 .4639(2) .83780(10) .1955(2) C3 .5056(2) .76700(10) .1123(2) C5 .3075(2) .94450(10) .0451(2) C6 .3616(2) 1.0417(2) .0960(3) C7 .2600(2) .8954(2) .2395(2) C8 .2219(2) .8061(3) .2996(2) C9 .4098(2) .63830(10) -.03160(10) C10 .3221(2) .69650(10) -.13750(10) C11 .4384(2) .61390(10) .1901(2) C12 .5606(2) .55140(10) .2080(2) H21 .467 .812 .279 H22 .512 .896 .195 H31 .500 .791 .029 H32 .590 .750 .141 H51 .213 .957 .000 H52 .357 .918 .000 H71 .180 .937 .195 H72 .312 .937 .279 H91 .379 .584 -.027 H92 .490 .625 -.055 H111 .367 .582 .195 H112 .445 .646 .250 H141 .299 1.188 .027 H142 .277 1.146 .166 H201 .609 .437 .277