data_2006046
_journal_name_full  'Acta Crystallographica'
_journal_year 1997
_journal_volume 	C53
_journal_page_first 	422
_journal_page_last 	425
_publ_section_title 	
;
Metal--\a,\w-Dicarboxylate Complexes. II.
Structure of [Copper(imidazole)~2~(\m-adipatomonoanion)~2~] Polymer
;
_chemical_formula_iupac 	'[Cu (C3 H4 N2)2 (C6 H9 O4)2]'
_chemical_formula_sum 	'C18 H26 Cu1 N4 O8'
_chemical_formula_structural 	'[Cu1(C6H9O4)~2~(C3N2H4)~2~]n'
_chemical_formula_weight 	489.97
_symmetry_cell_setting 	monoclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
 '-x, y, -z+1/2'
 'x+1/2, y+1/2, z'
 '-x+1/2, y+1/2, -z+1/2'
 '-x, -y, -z'
 'x, -y, z-1/2'
 '-x+1/2, -y+1/2, -z'
 'x+1/2, -y+1/2, z-1/2'
_symmetry_space_group_name_H-M 	'C 2/c'
_cell_length_a 	10.613(2)
_cell_length_b 	15.402(3)
_cell_length_c 	12.928(4)
_cell_angle_alpha 	90.00
_cell_angle_beta 	93.35(3)
_cell_angle_gamma 	90.00
_cell_volume 	2109.6(9)
_cell_formula_units_Z 	4
_exptl_crystal_density_diffrn 	1.543
_cell_measurement_temperature 	293(2)
_refine_ls_R_factor_obs 	0.0291
_refine_ls_wR_factor_obs 	0.0747
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
 Cu1 1 0.2500 0.2500 0.0000 0.0260(2)
 O1 1 0.4138(2) 0.30353(13) 0.0486(2) 0.0335(5)
 O2 1 0.3401(2) 0.4285(2) 0.1066(2) 0.0625(8)
 O3 1 0.1264(2) 0.36690(14) 0.0818(2) 0.0537(7)
 O4 1 0.0326(2) 0.48717(15) 0.1279(2) 0.0514(6)
 N1 1 0.2466(2) 0.18386(14) 0.1297(2) 0.0291(6)
 N2 1 0.3028(3) 0.0978(2) 0.2575(2) 0.0423(7)
 C1 1 0.4277(3) 0.3779(2) 0.0862(2) 0.0386(8)
 C2 1 0.5604(3) 0.4130(3) 0.1057(5) 0.0649(12)
 C3 1 0.6685(3) 0.3591(3) 0.0830(4) 0.0506(9)
 C4 1 -0.2082(3) 0.4088(3) 0.1030(4) 0.0603(11)
 C5 1 -0.0937(3) 0.3636(3) 0.0765(4) 0.0629(12)
 C6 1 0.0273(3) 0.4126(2) 0.0979(2) 0.0371(8)
 C7 1 0.1444(3) 0.1652(2) 0.1856(3) 0.0441(9)
 C8 1 0.1790(3) 0.1118(2) 0.2641(3) 0.0460(9)
 C9 1 0.3401(3) 0.1411(2) 0.1760(3) 0.0398(8)
 H1O 1 0.2109(54) 0.3949(38) 0.0982(41) 0.138(21)
 H1N 1 0.3380(32) 0.0674(22) 0.2913(26) 0.039(11)
 H21 1 0.5624(54) 0.4673(41) 0.0805(45) 0.137(25)
 H22 1 0.5672(44) 0.4227(31) 0.1759(39) 0.097(17)
 H31 1 0.6594(42) 0.3327(31) 0.0110(38) 0.101(16)
 H32 1 0.6695(27) 0.3094(21) 0.1272(23) 0.032(9)
 H41 1 -0.2021(42) 0.4141(31) 0.1825(39) 0.101(16)
 H42 1 -0.2026(56) 0.4652(43) 0.0606(49) 0.154(25)
 H51 1 -0.0974(38) 0.3414(28) 0.0069(35) 0.081(14)
 H52 1 -0.1047(65) 0.3099(51) 0.1259(54) 0.178(29)
 H7 1 0.0711(34) 0.1853(22) 0.1657(27) 0.054(10)
 H8 1 0.1348(33) 0.0868(23) 0.3209(27) 0.058(10)
 H9 1 0.4096(32) 0.1412(21) 0.1560(25) 0.037(10)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
 Cu1 N1 . 1.964(2)
 Cu1 N1 7 1.964(2)
 Cu1 O1 7 1.992(2)
 Cu1 O1 . 1.992(2)
 Cu1 O3 . 2.499(2)
 Cu1 O3 7 2.499(2)
 O3 C6 . 1.292(4)
 O4 C6 . 1.212(4)
 O1 C1 . 1.249(4)
 N1 C9 . 1.306(4)
 N1 C7 . 1.368(4)
 O2 C1 . 1.253(4)
 N2 C9 . 1.327(4)
 N2 C8 . 1.339(4)
 C5 C4 . 1.459(5)
 C5 C6 . 1.502(5)
 C3 C2 . 1.459(5)
 C3 C4 1_655 1.525(5)
 C2 C1 . 1.516(5)
 C4 C3 1_455 1.525(5)
 C7 C8 . 1.342(5)
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_22
_atom_site_aniso_U_23
_atom_site_aniso_U_33
 Cu1 0.0202(3) -0.0043(2) -0.0023(2) 0.0255(3) 0.0012(2) 0.0318(3)
 O1 0.0215(10) -0.0061(9) -0.0039(8) 0.0336(12) -0.0021(10) 0.0447(12)
 O2 0.0267(12) -0.0007(12) 0.0051(12) 0.058(2) -0.0363(15) 0.103(2)
 O3 0.0337(13) 0.0038(11) 0.0050(12) 0.0385(13) -0.0202(13) 0.089(2)
 O4 0.0253(11) -0.0011(10) -0.0037(11) 0.0438(14) -0.0317(13) 0.084(2)
 N1 0.0246(12) 0.0019(10) -0.0004(11) 0.0267(13) 0.0032(11) 0.0358(14)
 N2 0.047(2) 0.0092(14) -0.0069(14) 0.036(2) 0.0116(14) 0.043(2)
 C1 0.029(2) -0.007(2) -0.0021(14) 0.042(2) -0.007(2) 0.044(2)
 C2 0.027(2) -0.012(2) 0.002(2) 0.070(3) -0.037(3) 0.097(4)
 C3 0.026(2) -0.010(2) 0.002(2) 0.052(2) -0.019(2) 0.074(3)
 C4 0.025(2) -0.009(2) 0.000(2) 0.068(3) -0.031(2) 0.087(3)
 C5 0.033(2) -0.013(2) 0.010(2) 0.061(3) -0.035(3) 0.095(3)
 C6 0.027(2) -0.006(2) 0.0022(13) 0.044(2) -0.008(2) 0.040(2)
 C7 0.029(2) 0.009(2) 0.007(2) 0.054(2) 0.017(2) 0.050(2)
 C8 0.042(2) 0.002(2) 0.007(2) 0.051(2) 0.012(2) 0.046(2)
 C9 0.027(2) 0.006(2) 0.002(2) 0.044(2) 0.006(2) 0.048(2)