data_2000591 _journal_name_full 'Acta Cryst.' _journal_year 1992 _journal_volume C48 _journal_page_first 1590 _journal_page_last 1594 loop_ _publ_author_name 'Kawata, T.' 'Ohba, S.' 'Tokii, T.' 'Muto, Y.' 'Kato, M.' _chemical_formula_moiety '2(C19 H13 Cl2 Cu1 N1 O4),2(C1 Cl4)' _chemical_formula_sum 'C40 H26 Cl12 Cu2 N2 O8' _chemical_formula_weight 1215.2 _symmetry_cell_setting monoclinic _symmetry_space_group_name_H-M 'P 21/a' _symmetry_space_group_name_Hall ? _cell_length_a 23.365(3) _cell_length_b 10.6880(10) _cell_length_c 20.542(2) _cell_angle_alpha 90. _cell_angle_beta 100.030(10) _cell_angle_gamma 90. _cell_volume 5051.5(9) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.60 _exptl_crystal_density_meas ? _exptl_crystal_F_000 2424 _exptl_absorpt_coefficient_mu 1.533 _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 _atom_site_U_iso_or_equiv Cu(1) .24066(4) .22499(9) .27069(5) .0341 Cu(2) .26599(4) -.00077(9) .22672(5) .0342 Cl(1) .39590(10) .0727(3) .44430(10) .0953 Cl(2) .38640(10) .1404(3) .0906(2) .1044 Cl(3) .11360(10) .1735(3) .05480(10) .0860 Cl(4) .11700(10) .0375(3) .39750(10) .0900 O(1) .3242(2) .2330(5) .3090(2) .0461 O(2) .2597(2) .2842(5) .1859(2) .0495 O(3) .1608(2) .1864(5) .2256(3) .0503 O(4) .2274(2) .1229(4) .3478(2) .0424 O(5) .3458(2) .0488(5) .2690(3) .0513 O(6) .2761(2) .0922(5) .1478(2) .0485 O(7) .1814(2) -.0069(5) .1920(2) .0456 O(8) .2518(2) -.0630(5) .3120(2) .0490 N(1) .2178(3) .4026(6) .3083(3) .0428 N(2) .2910(3) -.1752(5) .1881(3) .0369 C(1) .3588(3) .1465(7) .3003(3) .0403 C(2) .4213(4) .1660(8) .3295(4) .0465 C(3) .4433(4) .1302(8) .3950(4) .0562 C(4) .5011(4) .1404(9) .4220(5) .0726 C(5) .5382(4) .1860(10) .3846(5) .0887 C(6) .5182(4) .2210(10) .3187(5) .0807 C(7) .4601(3) .2099(9) .2909(4) .0693 C(8) .2729(3) .2089(7) .1424(3) .0430 C(9) .2843(3) .2690(8) .0798(3) .0405 C(10) .3319(4) .2404(8) .0528(4) .0592 C(11) .3422(4) .2970(10) -.0061(4) .0791 C(12) .3011(5) .3780(10) -.0360(4) .0888 C(13) .2550(5) .4103(9) -.0089(4) .0788 C(14) .2439(4) .3567(8) .0483(4) .0627 C(15) .1477(3) .0844(8) .1958(3) .0444 C(16) .0856(3) .0722(8) .1658(4) .0447 C(17) .0663(4) .1091(8) .1000(4) .0592 C(18) .0079(4) .0992(9) .0701(4) .0700 C(19) -.0304(4) .0460(10) .1068(5) .0841 C(20) -.0125(4) .0080(10) .1719(5) .0941 C(21) .0457(4) .0180(10) .1993(4) .0716 C(22) .2354(3) .0093(7) .3537(3) .0349 C(23) .2272(3) -.0528(7) .4173(3) .0399 C(24) .1755(4) -.0476(7) .4404(4) .0479 C(25) .1671(4) -.1135(8) .4972(4) .0630 C(26) .2111(4) -.1814(9) .5309(4) .0643 C(27) .2635(4) -.1878(9) .5100(4) .0676 C(28) .2721(4) -.1278(8) .4520(4) .0532 C(29) .2571(4) .4901(8) .3265(5) .0657 C(30) .2421(4) .6036(9) .3543(5) .0927 C(31) .1868(5) .6216(9) .3620(5) .0934 C(32) .1468(4) .5330(10) .3434(6) .1039 C(33) .1641(4) .4232(9) .3174(5) .0771 C(34) .2615(3) -.2806(8) .1914(4) .0548 C(35) .2762(4) -.3917(8) .1652(5) .0821 C(36) .3223(4) -.3933(9) .1338(5) .0877 C(37) .3537(4) -.2892(9) .1298(5) .0744 C(38) .3366(3) -.1804(8) .1584(4) .0511 Cl(5) .3970(2) -.2265(5) .3296(2) .1898 Cl(6) .4225(2) -.3426(4) .4485(2) .2137 Cl(7) .4412(2) -.4739(5) .3417(3) .2332 Cl(8) .5105(2) -.2641(5) .3874(3) .2599 Cl(9) .5931(2) -.2081(5) .1659(2) .1969 Cl(10) .5013(2) -.1278(5) .0704(2) .2120 Cl(11) .5022(2) -.0734(5) .2024(2) .2196 Cl(12) .5796(3) .0425(6) .1370(3) .3564 C(39) .4448(5) -.3290(10) .3730(5) .1102 C(40) .5456(6) -.0860(10) .1426(5) .1378