#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010553.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_2010553
loop_
_publ_author_name
'Nakagawa, Hiroo'
'Kani, Yoshiyuki'
'Tsuchimoto, Masanobu'
'Ohba, Shigeru'
'Matsushima, Hideaki'
'Tokii, Tadashi'
_publ_section_title
;
Dimeric copper(II) trimethylsilylacetate adducts with pyridine,
2-methylpyridine, 3-methylpyridine, and quinoline, and a polymeric copper(II)
trimethylsilylacetate
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              12
_journal_page_last               16
_journal_volume                  56
_journal_year                    2000
_chemical_formula_iupac
;
[Cu2 (C5 H11 O2 Si)4 (C5 H5 N1)2 ]
;
_chemical_formula_moiety         'C30 H54 Cu2 N2 O8 Si4'
_chemical_formula_sum            'C30 H54 Cu2 N2 O8 Si4'
_chemical_formula_weight         810.20
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                91.870(10)
_cell_angle_beta                 102.790(10)
_cell_angle_gamma                76.820(10)
_cell_formula_units_Z            2
_cell_length_a                   11.3920(10)
_cell_length_b                   18.508(2)
_cell_length_c                   10.8510(10)
_cell_measurement_temperature    299
_cell_volume                     2171.9(5)
_exptl_crystal_density_diffrn    1.239
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_atom_site_thermal_displace_type' tag value 'Uij' was replaced with
'Uani' value 46 times.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               2010553
loop_
_symmetry_equiv_pos_as_xyz
+X,+Y,+Z
-X,-Y,-Z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Cu1 .0383(4) .0603(5) .0553(5) -.0080(3) .0139(3) -.0076(4)
Cu2 .0526(5) .0575(5) .0681(5) -.0087(4) .0161(4) -.0148(4)
Si3 .0740(10) .122(2) .0600(10) -.0280(10) .0100(10) -.0170(10)
Si4 .0750(10) .0660(10) .0850(10) -.0080(10) .0070(10) .0110(10)
Si5 .0770(10) .105(2) .108(2) -.0460(10) .0130(10) -.0310(10)
Si6 .121(2) .100(2) .0680(10) -.0360(10) .0250(10) .0000(10)
O7 .049(2) .076(3) .072(3) -.007(2) .012(2) .008(2)
O8 .063(3) .069(3) .062(3) -.006(2) .021(2) .001(2)
O9 .053(2) .075(3) .064(3) -.023(2) .021(2) -.020(2)
O10 .053(2) .067(3) .071(3) -.011(2) .017(2) -.022(2)
O11 .051(3) .090(3) .094(3) -.020(2) .021(2) -.025(3)
O12 .060(3) .080(3) .104(3) -.027(2) .021(2) -.018(3)
O13 .071(3) .073(3) .072(3) -.004(2) .021(2) -.003(2)
O14 .084(3) .066(3) .065(3) -.012(2) .013(2) -.013(2)
N15 .043(3) .064(3) .069(3) -.007(3) .021(3) -.014(3)
N16 .059(3) .062(4) .072(4) -.007(3) .012(3) -.019(3)
C17 .057(4) .061(4) .053(4) -.018(3) .000(3) -.009(3)
C18 .070(4) .071(4) .059(4) -.009(3) .003(3) .016(3)
C19 .166(8) .100(6) .142(8) -.039(6) -.018(6) .051(6)
C20 .157(8) .105(7) .155(8) -.002(6) .049(6) -.041(6)
C21 .074(5) .101(6) .141(7) -.029(4) .001(4) .025(5)
C22 .056(4) .056(4) .051(4) -.012(3) .009(3) -.005(3)
C23 .066(4) .066(4) .067(4) -.021(3) .007(3) -.022(3)
C24 .230(10) .170(10) .130(10) -.070(10) -.060(10) -.040(10)
C25 .111(6) .137(7) .110(6) .005(5) .007(5) .025(5)
C26 .123(7) .341(15) .100(7) -.049(8) .050(6) .030(8)
C27 .066(4) .098(5) .085(5) -.008(4) .039(4) .005(4)
C28 .083(5) .132(7) .118(7) -.022(5) .059(5) .001(5)
C29 .056(5) .126(7) .140(8) -.017(5) .049(5) -.019(6)
C30 .054(4) .099(6) .160(8) .009(4) .032(5) .000(5)
C31 .053(4) .075(5) .114(6) -.006(4) .018(4) .011(4)
C32 .058(4) .107(6) .067(5) -.024(4) .017(3) -.014(4)
C33 .064(4) .128(6) .102(5) -.052(4) .032(4) -.033(5)
C34 .083(6) .244(11) .205(10) -.082(7) .030(6) -.103(9)
C35 .128(7) .177(9) .207(10) -.071(7) .073(7) -.119(8)
C36 .270(10) .190(10) .150(10) -.110(10) -.070(10) .050(10)
C37 .051(4) .077(5) .071(5) -.021(4) .005(3) -.008(4)
C38 .085(5) .087(5) .055(4) -.013(4) .006(3) .003(4)
C39 .211(9) .132(7) .079(6) -.046(7) .040(6) .001(5)
C40 .099(6) .199(10) .140(8) -.037(6) .039(6) .005(7)
C41 .230(10) .120(10) .100(10) -.090(10) .060(10) -.030(10)
C42 .133(7) .067(5) .111(6) -.025(5) .038(5) -.015(5)
C43 .180(10) .060(10) .150(10) -.020(10) .030(10) -.030(10)
C44 .106(7) .110(8) .129(9) .025(6) -.011(6) -.063(7)
C45 .085(6) .129(8) .146(9) -.002(6) .032(5) -.068(8)
C46 .077(5) .098(6) .108(6) -.015(4) .033(4) -.034(5)
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
Cu1 .89306(6) .52455(4) 1.03174(6) .0543(3) Uani 1.000
Cu2 .55785(6) .93449(4) .46790(7) .0641(3) Uani 1.000
Si3 .7829(2) .41010(10) .5919(2) .0890(9) Uani 1.000
Si4 .9800(2) .74100(10) .7950(2) .0776(8) Uani 1.000
Si5 .8726(2) 1.08940(10) .7212(2) .1000(10) Uani 1.000
Si6 .4540(2) .87040(10) .8739(2) .0970(10) Uani 1.000
O7 .8604(3) .5976(2) .8942(3) .067(2) Uani 1.000
O8 1.0405(3) .5539(2) .8377(3) .068(2) Uani 1.000
O9 .8426(3) .4498(2) .9086(3) .067(2) Uani 1.000
O10 1.0244(3) .4085(2) .8533(3) .070(2) Uani 1.000
O11 .7055(3) .9757(3) .4954(4) .084(2) Uani 1.000
O12 .6053(4) 1.0876(2) .5455(4) .085(2) Uani 1.000
O13 .5953(3) .9096(2) .6486(4) .076(2) Uani 1.000
O14 .4939(4) 1.0203(2) .7032(4) .077(2) Uani 1.000
N15 .7091(4) .5554(3) 1.0750(5) .063(2) Uani 1.000
N16 .6420(4) .8241(3) .4067(5) .070(2) Uani 1.000
C17 .9366(5) .6000(3) .8266(5) .060(3) Uani 1.000
C18 .9073(5) .6616(3) .7319(5) .068(3) Uani 1.000
C19 .9492(8) .8083(4) .6621(8) .132(5) Uani 1.000
C20 .9105(8) .7816(4) .9274(8) .154(5) Uani 1.000
C21 1.1496(6) .7071(4) .8566(7) .103(4) Uani 1.000
C22 .9111(5) .4098(3) .8451(5) .057(2) Uani 1.000
C23 .8540(5) .3606(3) .7481(5) .071(3) Uani 1.000
C24 .7010(10) .3489(5) .4854(9) .188(6) Uani 1.000
C25 .6733(7) .4983(5) .6114(7) .125(4) Uani 1.000
C26 .9057(8) .4331(7) .5272(8) .187(7) Uani 1.000
C27 .6794(6) .5162(4) 1.1580(6) .086(3) Uani 1.000
C28 .5609(7) .5275(5) 1.1775(7) .113(4) Uani 1.000
C29 .4713(6) .5813(5) 1.1099(9) .113(4) Uani 1.000
C30 .4995(6) .6234(4) 1.0254(8) .111(4) Uani 1.000
C31 .6217(6) .6089(4) 1.0101(7) .083(3) Uani 1.000
C32 .7013(6) 1.0416(4) .5279(6) .081(3) Uani 1.000
C33 .8177(5) 1.0703(4) .5523(6) .100(3) Uani 1.000
C34 1.0263(7) 1.1124(6) .7358(9) .191(6) Uani 1.000
C35 .7638(8) 1.1700(5) .7681(9) .188(6) Uani 1.000
C36 .8800(10) 1.0100(6) .8205(9) .193(7) Uani 1.000
C37 .5532(5) .9545(4) .7286(6) .069(3) Uani 1.000
C38 .5721(6) .9249(3) .8613(6) .079(3) Uani 1.000
C39 .4908(9) .8355(5) 1.0390(7) .143(5) Uani 1.000
C40 .2970(7) .9328(5) .8359(8) .148(5) Uani 1.000
C41 .4633(9) .7920(4) .7629(7) .146(5) Uani 1.000
C42 .6142(7) .7634(4) .4391(7) .109(4) Uani 1.000
C43 .6690(10) .6933(4) .4012(9) .139(5) Uani 1.000
C44 .7518(9) .6885(6) .3270(10) .137(5) Uani 1.000
C45 .7792(7) .7502(6) .2917(9) .138(5) Uani 1.000
C46 .7220(6) .8176(4) .3328(7) .103(4) Uani 1.000
H18A .93677 .64282 .65824 .20 Uiso 1.000
H18B .81917 .67952 .70874 .20 Uiso 1.000
H19A .98688 .84825 .69528 .20 Uiso 1.000
H19B .86188 .82615 .63088 .20 Uiso 1.000
H19C .98508 .78485 .59448 .20 Uiso 1.000
H20A .94818 .82158 .96069 .20 Uiso 1.000
H20B .92398 .74458 .99219 .20 Uiso 1.000
H20C .82318 .79978 .89679 .20 Uiso 1.000
H21A 1.18727 .74708 .88986 .20 Uiso 1.000
H21B 1.18657 .68438 .78936 .20 Uiso 1.000
H21C 1.16317 .67058 .92226 .20 Uiso 1.000
H23A .91638 .31794 .73706 .20 Uiso 1.000
H23B .79068 .34484 .77826 .20 Uiso 1.000
H24A .66523 .37465 .40583 .20 Uiso 1.000
H24B .63673 .33835 .52193 .20 Uiso 1.000
H24C .75643 .30295 .47393 .20 Uiso 1.000
H25A .63787 .52406 .53181 .20 Uiso 1.000
H25B .71577 .52926 .66891 .20 Uiso 1.000
H25C .60857 .48726 .64601 .20 Uiso 1.000
H26A .87029 .45895 .44762 .20 Uiso 1.000
H26B .96299 .38805 .51502 .20 Uiso 1.000
H26C .94899 .46385 .58462 .20 Uiso 1.000
H27 .74287 .47762 1.20528 .20 Uiso 1.000
H28 .54248 .49780 1.23859 .20 Uiso 1.000
H29 .38807 .58915 1.12107 .20 Uiso 1.000
H30 .43682 .66241 .97802 .20 Uiso 1.000
H31 .64343 .63852 .95145 .20 Uiso 1.000
H33A .88112 1.03414 .52478 .20 Uiso 1.000
H33B .80192 1.11554 .50418 .20 Uiso 1.000
H34A 1.05388 1.12187 .82365 .20 Uiso 1.000
H34B 1.01638 1.15577 .68505 .20 Uiso 1.000
H34C 1.08418 1.07237 .70855 .20 Uiso 1.000
H35A .79143 1.17948 .85615 .20 Uiso 1.000
H35B .68323 1.15938 .75425 .20 Uiso 1.000
H35C .75923 1.21298 .71865 .20 Uiso 1.000
H36A .90809 1.01954 .90840 .20 Uiso 1.000
H36B .93629 .96734 .79710 .20 Uiso 1.000
H36C .79959 .99994 .80690 .20 Uiso 1.000
H38A .65318 .89299 .88480 .20 Uiso 1.000
H38B .56588 .96549 .91840 .20 Uiso 1.000
H39A .42985 .80796 1.04372 .20 Uiso 1.000
H39B .48705 .87576 1.09712 .20 Uiso 1.000
H39C .57225 .80386 1.05852 .20 Uiso 1.000
H40A .23617 .90531 .84064 .20 Uiso 1.000
H40B .28157 .95311 .75204 .20 Uiso 1.000
H40C .29237 .97271 .89484 .20 Uiso 1.000
H41A .40240 .76449 .76760 .20 Uiso 1.000
H41B .54440 .76019 .78580 .20 Uiso 1.000
H41C .45020 .81049 .67810 .20 Uiso 1.000
H42 .55401 .76799 .49001 .20 Uiso 1.000
H43 .64964 .64898 .42666 .20 Uiso 1.000
H44 .79194 .64132 .29942 .20 Uiso 1.000
H45 .83811 .74789 .23969 .20 Uiso 1.000
H46 .73788 .86270 .30597 .20 Uiso 1.000
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Cu1 Cu1 . 2_767 2.6320(10) yes
Cu1 O7 . . 1.962(4) yes
Cu1 O8 . 2_767 1.961(4) yes
Cu1 O9 . . 1.982(4) yes
Cu1 O10 . 2_767 1.972(4) yes
Cu1 N15 . . 2.194(5) yes
Cu2 Cu2 . 2_676 2.6350(10) yes
Cu2 O11 . . 1.961(4) yes
Cu2 O12 . 2_676 1.965(4) yes
Cu2 O13 . . 1.959(4) yes
Cu2 O14 . 2_676 1.972(4) yes
Cu2 N16 . . 2.198(6) yes
Si3 C23 . . 1.876(6) no
Si3 C24 . . 1.848(11) no
Si3 C25 . . 1.854(9) no
Si3 C26 . . 1.832(9) no
Si4 C18 . . 1.885(7) no
Si4 C19 . . 1.856(9) no
Si4 C20 . . 1.848(9) no
Si4 C21 . . 1.864(7) no
Si5 C33 . . 1.850(7) no
Si5 C34 . . 1.867(9) no
Si5 C35 . . 1.846(10) no
Si5 C36 . . 1.824(11) no
Si6 C38 . . 1.886(7) no
Si6 C39 . . 1.850(8) no
Si6 C40 . . 1.862(9) no
Si6 C41 . . 1.854(9) no
O7 C17 . . 1.263(7) yes
O8 C17 . . 1.276(7) yes
O9 C22 . . 1.255(7) yes
O10 C22 . . 1.268(7) yes
O11 C32 . . 1.252(10) yes
O12 C32 . . 1.271(8) yes
O13 C37 . . 1.276(8) yes
O14 C37 . . 1.258(8) yes
N15 C27 . . 1.319(8) no
N15 C31 . . 1.324(8) no
N16 C42 . . 1.314(10) no
N16 C46 . . 1.325(9) no
C17 C18 . . 1.490(8) no
C22 C23 . . 1.505(8) no
C27 C28 . . 1.380(10) no
C28 C29 . . 1.350(12) no
C29 C30 . . 1.358(12) no
C30 C31 . . 1.403(9) no
C32 C33 . . 1.506(9) no
C37 C38 . . 1.511(9) no
C42 C43 . . 1.397(12) no
C43 C44 . . 1.359(14) no
C44 C45 . . 1.337(14) no
C45 C46 . . 1.379(13) no
C18 H18A . . .960 no
C18 H18B . . .960 no
C19 H19A . . .960 no
C19 H19B . . .960 no
C19 H19C . . .961 no
C20 H20A . . .960 no
C20 H20B . . .960 no
C20 H20C . . .960 no
C21 H21A . . .960 no
C21 H21B . . .960 no
C21 H21C . . .961 no
C23 H23A . . .959 no
C23 H23B . . .959 no
C24 H24A . . .960 no
C24 H24B . . .960 no
C24 H24C . . .961 no
C25 H25A . . .960 no
C25 H25B . . .960 no
C25 H25C . . .960 no
C26 H26A . . .960 no
C26 H26B . . .961 no
C26 H26C . . .961 no
C27 H27 . . .960 no
C28 H28 . . .961 no
C29 H29 . . .960 no
C30 H30 . . .960 no
C31 H31 . . .959 no
C33 H33A . . .960 no
C33 H33B . . .961 no
C34 H34A . . .960 no
C34 H34B . . .960 no
C34 H34C . . .959 no
C35 H35A . . .961 no
C35 H35B . . .961 no
C35 H35C . . .960 no
C36 H36A . . .960 no
C36 H36B . . .961 no
C36 H36C . . .959 no
C38 H38A . . .961 no
C38 H38B . . .958 no
C39 H39A . . .960 no
C39 H39B . . .960 no
C39 H39C . . .960 no
C40 H40A . . .959 no
C40 H40B . . .960 no
C40 H40C . . .961 no
C41 H41A . . .960 no
C41 H41B . . .960 no
C41 H41C . . .961 no
C42 H42 . . .959 no
C43 H43 . . .960 no
C44 H44 . . .959 no
C45 H45 . . .961 no
C46 H46 . . .960 no