data_2005352
_journal_name_full  'Acta Crystallography'
_journal_year       1996
_journal_volume  C52
_journal_page_first  2173
_journal_page_last  2176
_publ_section_title
;
A Condensed Dialkoxide Complex of Copper(II),
[(CH~3~)~2~NCH~2~CH~2~N(CH~3~)~2~]Cu[{OC(CF~3~)~2~}~2~O]
;
_chemical_formula_iupac  '[Cu (C6 F12 O3) (C6 H16 N2)]'
_chemical_formula_sum  'C12 H16 Cu F12 N2 O3'
_chemical_formula_analytical  'C12.2 H15.5 Cu1.03 F12 N2.05 O3'
_chemical_formula_weight  527.80
_symmetry_cell_setting  triclinic
loop_
_symmetry_equiv_pos_as_xyz
 'x, y, z'
_symmetry_space_group_name_H-M  'P 1'
_cell_length_a  9.9019(14)
_cell_length_b  12.2972(15)
_cell_length_c  8.9716(12)
_cell_angle_alpha  108.28(2)
_cell_angle_beta  110.66(2)
_cell_angle_gamma  86.16(2)
_cell_volume  969.4(2)
_cell_formula_units_Z  2
_exptl_crystal_density_diffrn  1.808
_exptl_crystal_density_meas  1.828
_cell_measurement_temperature  293(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 -0.00002(5) 0.00000(4) -0.00003(6) 0.0390(2)
 Cu(2) 1 0.05195(5) -0.48537(5) -0.51427(6) 0.0410(2)
 O(1) 1 0.1729(4) -0.0025(4) 0.1779(5) 0.0490(10)
 O(2) 1 0.3367(5) 0.0437(4) 0.0670(5) 0.0461(10)
 O(3) 1 0.1001(4) 0.0334(3) -0.1269(5) 0.0479(9)
 O(4) 1 -0.0586(4) -0.5778(3) -0.4620(5) 0.0530(10)
 O(5) 1 -0.2902(5) -0.5158(4) -0.5872(6) 0.0507(11)
 O(6) 1 -0.1154(4) -0.4256(4) -0.6397(5) 0.0581(11)
 N(1) 1 -0.1885(5) -0.0102(4) -0.1912(6) 0.0514(12)
 N(2) 1 -0.1196(6) -0.0242(5) 0.1286(7) 0.0607(14)
 N(3) 1 0.2368(6) -0.5289(4) -0.3621(7) 0.0512(12)
 N(4) 1 0.1805(5) -0.4036(5) -0.5814(6) 0.0550(13)
 C(11) 1 0.2987(6) -0.0211(5) 0.1533(7) 0.0434(13)
 C(12) 1 0.2300(6) 0.0866(4) -0.0522(7) 0.0407(13)
 C(13) 1 -0.2967(8) -0.0627(6) -0.1527(8) 0.070(2)
 H(13A) 1 -0.2864 -0.1449 -0.1789 0.077
 H(13B) 1 -0.3934 -0.0489 -0.2194 0.077
 C(14) 1 -0.2727(8) -0.0102(7) 0.0294(9) 0.075(2)
 H(14A) 1 -0.2924 0.0706 0.0531 0.082
 H(14B) 1 -0.3376 -0.0475 0.0600 0.082
 C(15) 1 -0.2233(8) 0.1044(6) -0.2050(9) 0.075(2)
 H(15A) 1 -0.1476 0.1352 -0.2257 0.083
 H(15B) 1 -0.2325 0.1533 -0.1025 0.083
 H(15C) 1 -0.3128 0.0999 -0.2960 0.083
 C(16) 1 -0.1781(7) -0.0858(6) -0.3531(8) 0.070(2)
 H(16A) 1 -0.1554 -0.1614 -0.3456 0.077
 H(16B) 1 -0.1035 -0.0552 -0.3759 0.077
 H(16C) 1 -0.2687 -0.0893 -0.4419 0.077
 C(17) 1 -0.0951(9) -0.1382(7) 0.1484(11) 0.096(2)
 H(17A) 1 -0.1112 -0.1943 0.0408 0.106
 H(17B) 1 -0.1606 -0.1547 0.1968 0.106
 H(17C) 1 0.0026 -0.1404 0.2206 0.106
 C(18) 1 -0.0807(8) 0.0615(6) 0.2943(9) 0.084(2)
 H(18A) 1 -0.0910 0.1369 0.2826 0.093
 H(18B) 1 0.0177 0.0535 0.3594 0.093
 H(18C) 1 -0.1432 0.0505 0.3499 0.093
 C(21) 1 -0.1868(7) -0.5468(5) -0.4526(8) 0.051(2)
 C(22) 1 -0.2461(7) -0.4799(5) -0.7006(8) 0.049(2)
 C(23) 1 0.3550(9) -0.4593(7) -0.3513(9) 0.077(2)
 H(23A) 1 0.3658 -0.3872 -0.2625 0.085
 H(23B) 1 0.4441 -0.4987 -0.3225 0.085
 C(24) 1 0.3312(9) -0.4362(7) -0.5069(10) 0.079(2)
 H(24A) 1 0.3509 -0.5039 -0.5860 0.087
 H(24B) 1 0.3980 -0.3745 -0.4865 0.087
 C(25) 1 0.2547(8) -0.6520(6) -0.4262(9) 0.076(2)
 H(25A) 1 0.1762 -0.6941 -0.4267 0.084
 H(25B) 1 0.3445 -0.6719 -0.3558 0.084
 H(25C) 1 0.2550 -0.6706 -0.5383 0.084
 C(26) 1 0.2359(8) -0.5067(6) -0.1898(9) 0.076(2)
 H(26A) 1 0.1602 -0.5534 -0.1934 0.083
 H(26B) 1 0.2195 -0.4273 -0.1444 0.083
 H(26C) 1 0.3273 -0.5250 -0.1202 0.083
 C(27) 1 0.1390(7) -0.4359(6) -0.7656(8) 0.073(2)
 H(27A) 1 0.1261 -0.5178 -0.8128 0.080
 H(27B) 1 0.2138 -0.4094 -0.7926 0.080
 H(27C) 1 0.0503 -0.4016 -0.8109 0.080
 C(28) 1 0.1685(8) -0.2792(6) -0.5154(9) 0.079(2)
 H(28A) 1 0.1919 -0.2574 -0.3963 0.087
 H(28B) 1 0.0715 -0.2594 -0.5669 0.087
 H(28C) 1 0.2342 -0.2395 -0.5400 0.087
 C(1) 1 0.4208(6) 0.0174(5) 0.3280(7) 0.0604(14)
 F(11) 1 0.4192(5) 0.1279(4) 0.4029(5) 0.099(2)
 F(12) 1 0.4069(4) -0.0361(4) 0.4309(5) 0.0910(14)
 F(13) 1 0.5509(4) -0.0014(5) 0.3194(5) 0.0881(14)
 C(2) 1 0.3102(6) -0.1486(5) 0.0646(7) 0.0575(14)
 F(21) 1 0.1970(4) -0.1859(3) -0.0776(5) 0.0830(11)
 F(22) 1 0.4246(5) -0.1721(4) 0.0221(7) 0.097(2)
 F(23) 1 0.3110(5) -0.2139(3) 0.1562(6) 0.0952(13)
 C(3) 1 0.2961(6) 0.0739(5) -0.1889(7) 0.0563(13)
 F(31) 1 0.2097(5) 0.1069(4) -0.3151(5) 0.0942(13)
 F(32) 1 0.4220(5) 0.1320(4) -0.1319(6) 0.0832(13)
 F(33) 1 0.3228(5) -0.0345(3) -0.2519(5) 0.0782(12)
 C(4) 1 0.2179(7) 0.2157(5) 0.0374(7) 0.0629(15)
 F(41) 1 0.1424(4) 0.2280(3) 0.1375(5) 0.0843(11)
 F(42) 1 0.3433(5) 0.2720(4) 0.1298(7) 0.105(2)
 F(43) 1 0.1482(6) 0.2698(4) -0.0721(6) 0.106(2)
 C(5) 1 -0.2634(7) -0.6500(6) -0.4492(9) 0.076(2)
 F(51) 1 -0.3887(5) -0.6303(4) -0.4264(8) 0.108(2)
 F(52) 1 -0.2911(6) -0.7342(4) -0.5940(7) 0.108(2)
 F(53) 1 -0.1835(6) -0.6917(5) -0.3289(9) 0.137(2)
 C(6) 1 -0.1731(7) -0.4441(5) -0.2925(8) 0.065(2)
 F(61) 1 -0.2982(5) -0.4025(4) -0.2855(6) 0.097(2)
 F(62) 1 -0.1055(5) -0.4706(5) -0.1546(5) 0.1035(15)
 F(63) 1 -0.0938(4) -0.3584(3) -0.2858(5) 0.0810(11)
 C(7) 1 -0.3621(7) -0.3942(6) -0.7473(8) 0.074(2)
 F(71) 1 -0.4962(5) -0.4382(4) -0.8171(6) 0.100(2)
 F(72) 1 -0.3601(6) -0.3101(4) -0.6131(7) 0.126(2)
 F(73) 1 -0.3411(6) -0.3489(6) -0.8543(8) 0.139(2)
 C(8) 1 -0.2633(8) -0.5847(6) -0.8585(9) 0.077(2)
 F(81) 1 -0.1524(5) -0.6524(4) -0.8224(6) 0.113(2)
 F(82) 1 -0.3809(6) -0.6470(5) -0.9105(7) 0.120(2)
 F(83) 1 -0.2566(7) -0.5557(6) -0.9827(6) 0.136(2)