data_2001851
_journal_name_full 'Acta Crystallographica, Section C'
_journal_year 1993
_journal_volume C49
_journal_page_first 467
_journal_page_last 469
loop_
_publ_author_name
'Hoang, N.N.'
'Valach, F.'
'Melnik, M.'
_chemical_formula_moiety ?
_chemical_formula_sum 'C20 H26 Cu2 N2 O10'
_chemical_formula_weight 581.53
_symmetry_cell_setting triclinic
_symmetry_space_group_name_H-M 'P -1'
_symmetry_space_group_name_Hall '-P 1'
_cell_length_a 7.301(4)
_cell_length_b 8.216(4)
_cell_length_c 10.709(5)
_cell_angle_alpha 91.4070(10)
_cell_angle_beta 98.2470(10)
_cell_angle_gamma 114.242(3)
_cell_volume 577.27
_cell_formula_units_Z 1
_exptl_crystal_density_diffrn 1.67
_exptl_crystal_density_meas 1.63
_exptl_crystal_F_000 298
_exptl_absorpt_coefficient_mu 1.90
_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
Cu .13287(8) .53911(7) .60644(5)
N .3673(6) .6161(5) .7722(3)
O(1) .0338(5) .7211(5) .6425(3)
O(2) .1872(5) .3413(4) .5375(3)
O(3) -.0928(5) .3609(5) .6817(3)
O(4) .3144(5) .7052(5) .4981(3)
O(5) 1.0173(6) .7600(6) 1.0782(4)
C(1) .3638(8) .7152(7) .8732(5)
C(2) .5211(9) .7787(7) .9740(4)
C(3) .6890(8) .7396(6) .9782(4)
C(4) .6885(7) .6322(7) .8764(4)
C(5) .5275(7) .5749(6) .7755(4)
C(6) .8603(9) .8114(8) 1.0885(5)
C(7) .2694(6) .7246(5) .3844(4)
C(8) .4350(7) .8569(7) .3214(5)
C(9) -.0998(6) .7456(6) .5689(4)
C(10) -.1602(8) .8906(6) .6091(5)
H(1) .2365 .7552 .8713
H(2) .5187 .8625 1.0528
H(3) .8166 .5936 .8789
H(4) .5314 .4893 .6994
H(5) .8025 .7720 1.1785
H(6) .9235 .9607 1.0969
H(7) 1.1381 .8151 1.1592
H(8) .5748 .9208 .3875
H(9) .3886 .9600 .2847
H(10) .4617 .7898 .2412
H(12) -.0285 1.0191 .6220
H(13) -.2180 .8641 .6973