#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004752.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_2004752
_journal_name_full  'Acta Crystallographica'
_journal_year      1996
_journal_volume    	C52
_journal_page_first    	891
_journal_page_last    	894
_publ_section_title    	
;
Low-Temperature Structure of Two Copper-Based Precursors for MOCVD:
Aquais(tert-butyl acetoacetato)copper(II) and
Bis(dipivaloylmethanido)copper(II)
;
_chemical_formula_iupac    	'[Cu (C11 H19 O2)2]'
_chemical_formula_moiety    	'Cu(II) (C11 H19 O2)2'
_chemical_formula_sum    	'C22 H38 Cu O4'
_chemical_formula_weight    	430.06
_symmetry_cell_setting    	Monoclinic
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
_symmetry_space_group_name_H-M    	'P 21/c'
_cell_length_a    	10.175(2)
_cell_length_b    	10.939(2)
_cell_length_c    	11.469(2)
_cell_angle_alpha    	90.00
_cell_angle_beta    	112.06(3)
_cell_angle_gamma    	90.00
_cell_volume    	1183.1(4)
_cell_formula_units_Z    	2
_exptl_crystal_density_diffrn    	1.213
_exptl_crystal_density_meas    	1.205
_cell_measurement_temperature    	130
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 0.5000 0.0000 0.5000 0.0194(3)
O1 1 0.5683(3) 0.1394(3) 0.4424(3) 0.0219(7)
O2 1 0.3196(3) 0.0709(3) 0.4629(3) 0.0274(7)
C1 1 0.6240(6) 0.2778(5) 0.2558(5) 0.0307(11)
C2 1 0.5147(6) 0.4549(4) 0.3194(5) 0.0299(11)
C3 1 0.7270(5) 0.3548(5) 0.4771(5) 0.0301(11)
C4 1 0.5890(4) 0.3329(4) 0.3632(4) 0.0211(9)
C5 1 0.5026(4) 0.2388(4) 0.4010(4) 0.0200(9)
C6 1 0.3632(5) 0.2615(4) 0.3895(4) 0.0208(9)
C7 1 0.2791(4) 0.1773(4) 0.4205(4) 0.0210(9)
C8 1 0.1267(5) 0.2061(4) 0.4057(4) 0.0261(10)
C9 1 0.0762(6) 0.3322(5) 0.3520(6) 0.0418(13)
C10 1 0.0321(6) 0.1097(6) 0.3157(7) 0.052(2)
C11 1 0.1201(7) 0.1922(8) 0.5342(6) 0.056(2)
H1A 1 0.6868(53) 0.3307(47) 0.2302(46) 0.036(14)
H1B 1 0.6746(50) 0.2077(48) 0.2823(45) 0.030(13)
H1C 1 0.5316(62) 0.2665(49) 0.1803(55) 0.047(15)
H2A 1 0.5845(54) 0.5092(42) 0.3052(45) 0.031(13)
H2B 1 0.4845(59) 0.4903(49) 0.3808(56) 0.047(16)
H2C 1 0.4236(60) 0.4434(50) 0.2506(52) 0.043(15)
H3A 1 0.7886(48) 0.4058(44) 0.4554(41) 0.025(12)
H3B 1 0.7632(50) 0.2868(49) 0.5059(44) 0.026(13)
H3C 1 0.6960(51) 0.3907(47) 0.5422(48) 0.038(14)
H6 1 0.3279(53) 0.3340(50) 0.3620(47) 0.038(14)
H9A 1 0.1397(64) 0.3929(56) 0.4174(58) 0.059(18)
H9B 1 0.0781(52) 0.3357(47) 0.2674(51) 0.036(14)
H9C 1 -0.0190(57) 0.3457(46) 0.3491(45) 0.034(13)
H10A 1 0.0582(66) 0.0293(60) 0.3362(58) 0.056(18)
H10B 1 0.0391(81) 0.1196(72) 0.2252(81) 0.098(27)
H10C 1 -0.0674(68) 0.1197(54) 0.3088(55) 0.055(17)
H11A 1 0.0190(61) 0.1999(52) 0.5256(47) 0.043(15)
H11B 1 0.1345(68) 0.1011(65) 0.5574(59) 0.067(20)
H11C 1 0.1840(68) 0.2715(62) 0.5892(61) 0.067(20)