data_2011210
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  923
_journal_page_last  925
_publ_section_title
;
catena-Poly[[tetrakis(\m-3,3-dimethylbutyrato-O:O')]dicopper(II)-
\m-3,3-dimethylbutyrato-O:O'-[bis(2,6-dimethylpyridine-N)copper(II)]-
\m-3,3-dimethylbutyrato-O:O'] and
tetrakis(\m-2,2-dimethylpropanoato-O:O')bis[(2,6-dimethylpyridine-N)copper(II)]
;
loop_
_publ_author_name
  'Kani, Yoshiyuki'
  'Tsuchimoto, Masanobu'
  'Ohba, Shigeru'
  'Matsushima, Hideaki'
  'Tokii, Tadashi'
_chemical_formula_sum  'C50 H84 Cu3 N2 O12'
_chemical_formula_iupac  '[Cu3 (C6 H11 O2)6 (C7 H9 N)2]'
_chemical_formula_weight  1095.86
_symmetry_cell_setting  triclinic
_symmetry_space_group_name_H-M  'P -1'
loop_
_symmetry_equiv_pos_as_xyz
  x,y,z
  -x,-y,-z
_cell_length_a  12.525(2)
_cell_length_b  12.736(2)
_cell_length_c  10.033(2)
_cell_angle_alpha  94.640(10)
_cell_angle_beta  102.510(10)
_cell_angle_gamma  109.320(10)
_cell_volume  1454.1(5)
_cell_formula_units_Z  1
_cell_measurement_temperature  298
_exptl_crystal_density_diffrn  1.251
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_type_symbol
  Cu1  .39771(3)  -.01312(3)  .02690(4)  .03660(10)
  Uani 1.00 Cu
  Cu2 0 0 0  .0373(2) Uani 1.00 Cu
  O1  .4572(2)  .1533(2)  .0615(3)  .0577(8) Uani 1.00 O
  O2  .6285(2)  .1745(2)  .0140(3)  .0549(8) Uani 1.00 O
  O3  .3478(2)  -.0095(2)  -.1720(2)  .0528(7) Uani 1.00 O
  O4  .5191(2)  .0105(2)  -.2182(2)  .0494(7) Uani 1.00 O
  O5  .2223(2)  -.0375(2)  .0512(2)  .0474(7) Uani 1.00 O
  O6  .0631(2)  -.0846(2)  .1269(2)  .0459(7) Uani 1.00 O
  N1  .0861(2)  .1482(2)  .1369(3)  .0476(8) Uani 1.00 N
  C1  .5562(3)  .2117(3)  .0473(4)  .0483(10) Uani 1.00 C
  C2  .5913(4)  .3390(3)  .0746(5)  .0670(10)
  Uani 1.00 C
  C3  .6623(4)  .3959(4)  .2214(5)  .0750(10)
  Uani 1.00 C
  C4  .6890(6)  .5217(4)  .2334(7)  .122(2) Uani 1.00 C
  C5  .7745(6)  .3749(6)  .2594(8)  .140(3) Uani 1.00 C
  C6  .5900(7)  .3501(6)  .3214(7)  .157(3) Uani 1.00 C
  C7  .4136(3)  .0026(3)  -.2518(3)  .0402(8) Uani 1.00 C
  C8  .3630(3)  .0112(3)  -.4003(3)  .0453(9) Uani 1.00 C
  C9  .3677(3)  .1309(3)  -.4251(4)  .0490(10)
  Uani 1.00 C
  C10  .3247(4)  .1264(4)  -.5803(4)  .0680(10)
  Uani 1.00 C
  C11  .2911(5)  .1686(4)  -.3509(5)  .087(2) Uani 1.00 C
  C12  .4938(4)  .2136(4)  -.3737(5)  .085(2) Uani 1.00 C
  C13  .1618(3)  -.0919(3)  .1225(3)  .0399(9) Uani 1.00 C
  C14  .2032(3)  -.1699(3)  .2079(4)  .0490(10) Uani 1.00 C
  C15  .1138(3)  -.2806(3)  .2240(4)  .0600(10)
  Uani 1.00 C
  C16  .0335(5)  -.3444(4)  .0878(7)  .107(2) Uani 1.00 C
  C17  .0414(5)  -.2575(5)  .3207(6)  .098(2) Uani 1.00 C
  C18  .1813(5)  -.3517(5)  .2887(7)  .111(2) Uani 1.00 C
  C19  .1754(3)  .2305(3)  .1093(4)  .0520(10)
  Uani 1.00 C
  C20  .2279(4)  .3344(4)  .1951(5)  .0750(10)
  Uani 1.00 C
  C21  .1902(5)  .3547(4)  .3086(5)  .082(2) Uani 1.00 C
  C22  .1013(5)  .2720(4)  .3367(5)  .076(2) Uani 1.00 C
  C23  .0488(3)  .1677(3)  .2497(4)  .0560(10)
  Uani 1.00 C
  C24  .2145(3)  .2074(3)  -.0151(5)  .0620(10)
  Uani 1.00 C
  C25  -.0476(4)  .0746(4)  .2784(4)  .0710(10)
  Uani 1.00 C
  H1  .6373  .3698  .0123  .0800 Uiso 1.00 H
  H2  .5211  .3564  .0558  .0800 Uiso 1.00 H
  H3  .7307  .5576  .3269  .1458 Uiso 1.00 H
  H4  .7362  .5516  .1720  .1458 Uiso 1.00 H
  H5  .6170  .5357  .2089  .1458 Uiso 1.00 H
  H6  .7581  .2951  .2520  .1679 Uiso 1.00 H
  H7  .8216  .4049  .1978  .1679 Uiso 1.00 H
  H8  .8162  .4109  .3528  .1679 Uiso 1.00 H
  H9  .6327  .3875  .4140  .1881 Uiso 1.00 H
  H10  .5175  .3633  .2976  .1881 Uiso 1.00 H
  H11  .5738  .2705  .3157  .1881 Uiso 1.00 H
  H12  .4059  -.0130  -.4570  .0543 Uiso 1.00 H
  H13  .2825  -.0384  -.4281  .0543 Uiso 1.00 H
  H14  .3273  .2000  -.5984  .0813 Uiso 1.00 H
  H15  .3741  .1027  -.6271  .0813 Uiso 1.00 H
  H16  .2457  .0738  -.6131  .0813 Uiso 1.00 H
  H17  .3189  .1718  -.2531  .1046 Uiso 1.00 H
  H18  .2935  .2420  -.3694  .1046 Uiso 1.00 H
  H19  .2120  .1159  -.3829  .1046 Uiso 1.00 H
  H20  .5214  .2160  -.2760  .1021 Uiso 1.00 H
  H21  .5424  .1894  -.4214  .1021 Uiso 1.00 H
  H22  .4970  .2874  -.3912  .1021 Uiso 1.00 H
  H23  .2582  -.1893  .1670  .0588 Uiso 1.00 H
  H24  .2426  -.1279  .2993  .0588 Uiso 1.00 H
  H25  -.0096  -.3001  .0467  .1289 Uiso 1.00 H
  H26  .0785  -.3599  .0277  .1289 Uiso 1.00 H
  H27  -.0201  -.4141  .1012  .1289 Uiso 1.00 H
  H28  .0930  -.2170  .4087  .1180 Uiso 1.00 H
  H29  -.0021  -.2132  .2805  .1180 Uiso 1.00 H
  H30  -.0118  -.3277  .3333  .1180 Uiso 1.00 H
  H31  .1273  -.4214  .3015  .1329 Uiso 1.00 H
  H32  .2264  -.3672  .2287  .1329 Uiso 1.00 H
  H33  .2329  -.3112  .3767  .1329 Uiso 1.00 H
  H34  .2910  .3923  .1744  .0897 Uiso 1.00 H
  H35  .2262  .4267  .3681  .0989 Uiso 1.00 H
  H36  .0743  .2853  .4168  .0914 Uiso 1.00 H
  H37  .2397  .1442  -.0088  .0750 Uiso 1.00 H
  H38  .1507  .1906  -.0961  .0750 Uiso 1.00 H
  H39  .2783  .2725  -.0212  .0750 Uiso 1.00 H
  H40  -.0655  .0994  .3610  .0851 Uiso 1.00 H
  H41  -.1159  .0533  .2019  .0851 Uiso 1.00 H
  H42  -.0238  .0109  .2907  .0851 Uiso 1.00 H
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  .0316(2)  .0394(2)  .0408(2)  .0139(2)  .0093(2)  .0128(2)
  Cu2  .0322(3)  .0418(3)  .0457(3)  .0181(3)  .0151(3)  .0147(3)
  O1  .0510(10)
  .0440(10)
  .080(2)  .0220(10)
  .0140(10)
  .0110(10)
  O2  .058(2)  .0400(10)
  .067(2)  .0150(10)
  .0230(10)
  .0070(10)
  O3  .0380(10)
  .079(2)  .0450(10)
  .0210(10)
  .0110(10)
  .0230(10)
  O4  .0430(10)
  .066(2)  .0450(10)
  .0260(10)
  .0110(10)
  .0170(10)
  O5  .0410(10)
  .0540(10)
  .0590(10)
  .0230(10)
  .0210(10)
  .0270(10)
  O6  .0380(10)
  .0500(10)
  .0590(10)
  .0200(10)
  .0190(10)
  .0220(10)
  N1  .0430(10)
  .051(2)  .054(2)  .0240(10)
  .0100(10)
  .0120(10)
  C1  .053(2)  .036(2)  .048(2)  .013(2)  .002(2)  .010(2)
  C2  .084(3)  .040(2)  .078(3)  .021(2)  .024(2)  .016(2)
  C3  .082(3)  .046(2)  .080(3)  .003(2)  .020(3)  -.002(2)
  C4  .147(5)  .048(3)  .137(5)  .007(3)  .027(4)  -.015(3)
  C5  .104(5)  .108(5)  .157(6)  .027(4)  -.035(4)  -.025(5)
  C6  .200(8)  .128(6)  .093(5)  -.019(5)  .074(5)  -.015(4)
  C7  .040(2)  .038(2)  .041(2)  .0150(10)
  .0060(10)
  .0080(10)
  C8  .047(2)  .049(2)  .039(2)  .020(2)  .0060(10)
  .0080(10)
  C9  .056(2)  .051(2)  .043(2)  .023(2)  .011(2)  .013(2)
  C10  .085(3)  .077(3)  .048(2)  .038(3)  .009(2)  .023(2)
  C11  .136(5)  .087(3)  .089(3)  .078(4)  .061(3)  .039(3)
  C12  .082(3)  .066(3)  .084(3)  .006(2)  .000(3)  .033(3)
  C13  .037(2)  .040(2)  .044(2)  .0150(10)
  .0110(10)
  .0100(10)
  C14  .039(2)  .050(2)  .061(2)  .017(2)  .013(2)  .026(2)
  C15  .051(2)  .047(2)  .080(3)  .014(2)  .011(2)  .028(2)
  C16  .117(4)  .049(3)  .127(5)  .027(3)  -.016(4)  -.004(3)
  C17  .086(4)  .110(4)  .118(4)  .033(3)  .054(3)  .062(4)
  C18  .084(3)  .083(4)  .181(6)  .038(3)  .029(4)  .087(4)
  C19  .044(2)  .046(2)  .068(2)  .020(2)  .008(2)  .019(2)
  C20  .068(3)  .050(3)  .089(3)  .012(2)  -.003(2)  .018(2)
  C21  .100(4)  .055(3)  .075(3)  .026(3)  -.003(3)  -.003(2)
  C22  .092(3)  .077(3)  .063(3)  .043(3)  .012(2)  .000(2)
  C23  .052(2)  .062(2)  .056(2)  .027(2)  .007(2)  .007(2)
  C24  .045(2)  .053(2)  .097(3)  .017(2)  .027(2)  .031(2)
  C25  .058(2)  .097(4)  .061(3)  .028(2)  .022(2)  .006(2)
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_655 2.6520(10)
  yes
  Cu1 O1 . . 1.972(3) yes
  Cu1 O2 . 2_655 1.965(2) yes
  Cu1 O3 . . 1.967(2) yes
  Cu1 O4 . 2_655 1.967(2) yes
  Cu1 O5 . . 2.185(2) yes
  Cu2 O5 . . 2.923(2) yes
  Cu2 O6 . . 1.938(2) yes
  Cu2 O6 . 2_555 1.938(2) no
  Cu2 N1 . . 2.050(3) yes
  Cu2 N1 . 2_555 2.050(3) no
  O1 C1 . . 1.263(4) no
  O2 C1 . . 1.243(4) no
  O3 C7 . . 1.252(4) no
  O4 C7 . . 1.259(4) no
  O5 C13 . . 1.238(4) no
  O6 C13 . . 1.280(3) no
  N1 C19 . . 1.353(4) no
  N1 C23 . . 1.350(4) no
  C1 C2 . . 1.516(5) no
  C2 C3 . . 1.523(6) no
  C2 H1 . .  .960 no
  C2 H2 . .  .960 no
  C3 C4 . . 1.513(7) no
  C3 C5 . . 1.492(8) no
  C3 C6 . . 1.518(7) no
  C4 H3 . .  .960 no
  C4 H4 . .  .960 no
  C4 H5 . .  .961 no
  C5 H6 . .  .961 no
  C5 H7 . .  .960 no
  C5 H8 . .  .960 no
  C6 H9 . .  .960 no
  C6 H10 . .  .961 no
  C6 H11 . .  .960 no
  C7 C8 . . 1.515(4) no
  C8 C9 . . 1.548(5) no
  C8 H12 . .  .960 no
  C8 H13 . .  .960 no
  C9 C10 . . 1.523(5) no
  C9 C11 . . 1.503(5) no
  C9 C12 . . 1.526(6) no
  C10 H14 . .  .960 no
  C10 H15 . .  .960 no
  C10 H16 . .  .960 no
  C11 H17 . .  .960 no
  C11 H18 . .  .960 no
  C11 H19 . .  .960 no
  C12 H20 . .  .960 no
  C12 H21 . .  .960 no
  C12 H22 . .  .960 no
  C13 C14 . . 1.509(4) no
  C14 C15 . . 1.529(5) no
  C14 H23 . .  .960 no
  C14 H24 . .  .960 no
  C15 C16 . . 1.491(7) no
  C15 C17 . . 1.537(6) no
  C15 C18 . . 1.523(6) no
  C16 H25 . .  .960 no
  C16 H26 . .  .960 no
  C16 H27 . .  .960 no
  C17 H28 . .  .960 no
  C17 H29 . .  .960 no
  C17 H30 . .  .960 no
  C18 H31 . .  .960 no
  C18 H32 . .  .960 no
  C18 H33 . .  .960 no
  C19 C20 . . 1.385(6) no
  C19 C24 . . 1.478(6) no
  C20 C21 . . 1.361(7) no
  C20 H34 . .  .960 no
  C21 C22 . . 1.355(7) no
  C21 H35 . .  .960 no
  C22 C23 . . 1.395(6) no
  C22 H36 . .  .960 no
  C23 C25 . . 1.485(6) no
  C24 H37 . .  .960 no
  C24 H38 . .  .960 no
  C24 H39 . .  .960 no
  C25 H40 . .  .960 no
  C25 H41 . .  .960 no
  C25 H42 . .  .960 no