data_2005250 _journal_name_full 'Acta Crystallographica' _journal_year 1996 _journal_volume C52 _journal_page_first 1957 _journal_page_last 1959 _publ_section_title ; (Acetonitrile)[N,N-bis(3-aminopropyl)-1,3-propanediamine-N,N',N'',N''']- copper(II) Diperchlorate ; _chemical_formula_iupac '[Cu (C2 H3 N) (C9 H24 N4)](Cl O4 )2' _chemical_formula_moiety 'C11 H27 Cu N5 2+, (Cl O4 1-)2' _chemical_formula_sum 'C11 H27 Cl2 Cu N5 O8' _chemical_formula_structural ; (Cu ((N H2 (C H2)3)3 N) (C H3 C N)) (Cl O4)2 ; _chemical_formula_weight 491.82 _symmetry_cell_setting orthorhombic loop_ _symmetry_equiv_pos_as_xyz ' +x, +y, +z' ' -x, -y,1/2+z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y, +z' _symmetry_space_group_name_H-M 'P n a 21' _cell_length_a 11.815(3) _cell_length_b 19.334(2) _cell_length_c 8.839(2) _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2019.1(6) _cell_formula_units_Z 4 _exptl_crystal_density_diffrn 1.618 _cell_measurement_temperature 294.2 loop_ _atom_site_label _atom_site_occupancy _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv Cu(1) 1 .22391(9) .55731(5) .434 .0347(3) Cl(1) 1 .1793(3) .4124(2) -0.1227(5) .053(1) Cl(2) 1 .4899(2) .6365(1) -.0742(6) .0501(9) O(1) 1 .0771(8) .4399(6) -0.170(1) .141(5) O(2) 1 .181(1) .4004(6) .036(1) .119(5) O(3) 1 .2558(8) .4644(6) -0.161(1) .118(4) O(4) 1 .200(1) .3539(5) -0.193(1) .228(7) O(5) 1 .5683(7) .6076(5) -0.175(1) .083(3) O(6) 1 .4791(9) .5932(5) .054(1) .092(4) O(7) 1 .3822(7) .6441(5) -0.142(1) .105(4) O(8) 1 .5261(7) .7015(4) -.027(2) .121(5) N(1) 1 .2452(6) .6623(4) .405(1) .037(3) N(2) 1 .2492(7) .5430(4) .208(1) .045(3) N(3) 1 .1016(6) .5655(4) .597(1) .044(3) N(4) 1 .3802(7) .5435(4) .548(1) .040(3) N(5) 1 .1840(6) .4515(4) .437(2) .053(3) C(1) 1 .1614(9) .6894(6) .289(1) .039(4) C(2) 1 .178(1) .6582(6) .134(1) .060(4) C(3) 1 .162(1) .5804(6) .121(1) .058(4) C(4) 1 .223(1) .7016(6) .550(1) .047(4) C(5) 1 .108(1) .6908(7) .628(1) .051(4) C(6) 1 .104(1) .6233(6) .707(1) .052(4) C(7) 1 .3638(9) .6777(5) .354(1) .048(4) C(8) 1 .4582(8) .6534(5) .458(2) .048(4) C(9) 1 .4757(8) .5765(5) .470(1) .043(4) C(10) 1 .1836(7) .3938(5) .435(2) .047(3) C(11) 1 .1814(9) .3187(5) .435(2) .087(4) H(1) 1 .3188 .5594 .1826 .054 H(2) 1 .2452 .4971 .1867 .054 H(3) 1 .0341 .5685 .5475 .053 H(4) 1 .1038 .5257 .6514 .053 H(5) 1 .3743 .5619 .6423 .048 H(6) 1 .3944 .4973 .5553 .048 H(7) 1 .0846 .6788 .3235 .047 H(8) 1 .1705 .7397 .2807 .047 H(9) 1 .1231 .6802 .0657 .072 H(10) 1 .2547 .669 .101 .072 H(11) 1 .167 .567 .0148 .069 H(12) 1 .0869 .568 .1608 .069 H(13) 1 .2822 .6882 .6223 .056 H(14) 1 .2304 .751 .5269 .056 H(15) 1 .0954 .728 .7014 .061 H(16) 1 .0478 .692 .5513 .061 H(17) 1 .0364 .6212 .7709 .062 H(18) 1 .1718 .6187 .7711 .062 H(19) 1 .375 .6556 .2556 .058 H(20) 1 .3707 .7279 .3434 .058 H(21) 1 .529 .6737 .4212 .058 H(22) 1 .4419 .6709 .5597 .058 H(23) 1 .5453 .5675 .5269 .052 H(24) 1 .4826 .557 .3681 .052 H(25) 1 .2291 .3011 .353 .105 H(26) 1 .2103 .3017 .5323 .105 H(27) 1 .1035 .3026 .4208 .105