data_2011062
_journal_name_full  'Acta Crystallographica, Section C'
_journal_year  2000
_journal_volume  56
_journal_page_first  642
_journal_page_last  643
_publ_section_title
;
Disodium tetrakis(hexanoato-O)zinc(II)
;
loop_
_publ_author_name
  'Lah, Nina'
  'Rep, Gregor'
  '\<Segedin, Primo\<z'
  'Goli\<c, Ljubo'
  'Leban, Ivan'
_chemical_formula_sum  'C24 H44 Na2 O8 Zn'
_chemical_formula_iupac  'Na2 [Zn (C6 H11 O2)4]'
_chemical_formula_weight  571.96
_symmetry_cell_setting  'monoclinic'
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
  '-x, y, -z+1/2'
  'x+1/2, y+1/2, z'
  '-x+1/2, y+1/2, -z+1/2'
  '-x, -y, -z'
  'x, -y, z-1/2'
  '-x+1/2, -y+1/2, -z'
  'x+1/2, -y+1/2, z-1/2'
_cell_length_a  37.605(7)
_cell_length_b  7.7797(6)
_cell_length_c  10.347(2)
_cell_angle_alpha  90.00
_cell_angle_beta  90.82(2)
_cell_angle_gamma  90.00
_cell_volume  3026.8(8)
_cell_formula_units_Z  4
_cell_measurement_temperature  293(2)
_exptl_crystal_density_diffrn  1.255
_diffrn_ambient_temperature  293(2)
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_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
  Zn 1/2  .25161(6) 3/4  .04063(17) Uani d S 1 . . Zn
  O12 0.53875(6)  -.0710(3) 0.8296(2)  .0556(6) Uani d . 1 . . O
  O11 0.53850(5)  .1215(2) 0.6711(2)  .0469(5) Uani d . 1 . . O
  O21 0.47426(6)  .4262(3) 0.6484(2)  .0502(5) Uani d . 1 . . O
  C21 0.46385(7)  .3958(4) 0.5310(3)  .0408(6) Uani d . 1 . . C
  O22 0.47551(5)  .2755(2) 0.4663(2)  .0502(5) Uani d . 1 . . O
  C11 0.55251(7)  -.0017(4) 0.7358(3)  .0457(7) Uani d . 1 . . C
  C22 0.43519(7)  .5132(4) 0.4801(3)  .0513(7) Uani d . 1 . . C
  H22A 0.4331  .5014 0.3870  .062 Uiso calc R 1 . . H
  H22B 0.4413  .6316 0.4997  .062 Uiso calc R 1 . . H
  C12 0.58816(9)  -.0638(6) 0.6889(4)  .0706(10) Uani d . 1 . . C
  H12A 0.5892  -.1879 0.6972  .085 Uiso calc R 1 . . H
  H12B 0.5903  -.0359 0.5980  .085 Uiso calc R 1 . . H
  C23 0.39983(9)  .4678(6) 0.5420(4)  .0737(11) Uani d . 1 . . C
  H23A 0.3964  .3445 0.5362  .088 Uiso calc R 1 . . H
  H23B 0.4011  .4978 0.6329  .088 Uiso calc R 1 . . H
  C24 0.36822(10)  .5555(8) 0.4819(6)  .1016(17) Uani d . 1 . . C
  H24A 0.3677  .5320 0.3899  .122 Uiso calc R 1 . . H
  H24B 0.3707  .6787 0.4933  .122 Uiso calc R 1 . . H
  C13 0.61794(10)  .0110(8) 0.7595(6)  .1042(17) Uani d . 1 . . C
  H13A 0.6161  -.0192 0.8501  .125 Uiso calc R 1 . . H
  H13B 0.6166  .1352 0.7529  .125 Uiso calc R 1 . . H
  C14 0.65414(11)  -.0485(9) 0.7103(8)  .130(2) Uani d . 1 . . C
  H14A 0.6551  -.1729 0.7155  .156 Uiso calc R 1 . . H
  H14B 0.6557  -.0176 0.6197  .156 Uiso calc R 1 . . H
  C25 0.33336(12)  .4985(11) 0.5393(9)  .142(3) Uani d . 1 . . C
  H25A 0.3319  .3741 0.5359  .170 Uiso calc R 1 . . H
  H25B 0.3328  .5326 0.6295  .170 Uiso calc R 1 . . H
  C15 0.68435(17)  .0188(15) 0.7763(12)  .194(5) Uani d . 1 . . C
  H15A 0.6830  -.0116 0.8670  .232 Uiso calc R 1 . . H
  H15B 0.6839  .1432 0.7703  .232 Uiso calc R 1 . . H
  C26 0.30205(17)  .5726(17) 0.4708(12)  .237(6) Uani d . 1 . . C
  H26A 0.3019  .6950 0.4822  .355 Uiso calc R 1 . . H
  H26B 0.2807  .5246 0.5053  .355 Uiso calc R 1 . . H
  H26C 0.3033  .5462 0.3803  .355 Uiso calc R 1 . . H
  C16 0.71977(14)  -.0467(15) 0.7232(14)  .240(6) Uani d . 1 . . C
  H16A 0.7183  -.1685 0.7092  .360 Uiso calc R 1 . . H
  H16B 0.7386  -.0224 0.7842  .360 Uiso calc R 1 . . H
  H16C 0.7246  .0099 0.6429  .360 Uiso calc R 1 . . H
  Na1 1/2 0 1  .0441(4) Uani d S 1 . . Na
  Na2 1/2  .6857(2) 3/4  .0480(4) Uani d S 1 . . Na
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
  Zn  .0575(3)  .0346(2)  .0298(2) 0  .00081(17) 0
  O12  .0665(12)  .0593(13)  .0413(13)  .0089(10)  .0091(11)  .0055(12)
  O11  .0564(10)  .0450(11)  .0394(12)  .0026(9)  .0057(9)  .0020(10)
  O21  .0715(12)  .0418(10)  .0373(12)  .0046(10)  -.0063(10)  .0007(10)
  C21  .0540(15)  .0382(14)  .0302(14)  -.0036(13)  .0027(12)  .0030(13)
  O22  .0697(11)  .0444(12)  .0364(11)  .0072(10)  -.0002(9)  -.0039(10)
  C11  .0499(14)  .0514(16)  .0358(16)  .0000(13)  .0017(12)  -.0077(15)
  C22  .0601(17)  .0505(16)  .0433(19)  .0042(14)  -.0026(14)  .0070(16)
  C12  .0590(18)  .088(3)  .065(3)  .0120(18)  .0096(17)  -.009(2)
  C23  .073(2)  .091(3)  .058(2)  .016(2)  .0069(18)  .009(2)
  C24  .068(2)  .139(4)  .097(4)  .021(3)  .003(2)  .018(4)
  C13  .070(2)  .143(4)  .100(4)  .002(3)  .004(2)  -.036(4)
  C14  .060(3)  .173(6)  .158(7)  .011(3)  .007(3)  -.030(5)
  C25  .079(3)  .206(7)  .142(6)  .024(4)  .020(3)  .013(6)
  C15  .104(4)  .271(11)  .206(11)  .003(6)  .019(5)  -.047(9)
  C26  .085(4)  .431(18)  .194(10)  .024(7)  .013(5)  .040(14)
  C16  .065(3)  .353(14)  .303(16)  .020(6)  .014(5)  -.006(14)
  Na1  .0634(8)  .0383(8)  .0306(8)  -.0018(7)  .0022(7)  .0018(7)
  Na2  .0711(9)  .0395(7)  .0336(8) 0  .0047(7) 0
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Zn O11 2_656 1.955(2) ?
  Zn O11 . 1.955(2) yes
  Zn O21 . 1.964(2) yes
  Zn O21 2_656 1.964(2) ?
  Zn Na1 2_656 3.2439(5) ?
  Zn Na1 . 3.2439(5) ?
  O12 C11 . 1.231(4) yes
  O12 Na2 1_545 2.520(3) ?
  O11 C11 . 1.279(4) yes
  C11 C12 . 1.511(4) yes
  C12 C13 . 1.450(6) yes
  C13 C14 . 1.532(7) yes
  C14 C15 . 1.418(9) yes
  C15 C16 . 1.535(11) yes
  O11 Na1 2_656 2.460(2) ?
  O21 C21 . 1.293(4) yes
  C21 O22 . 1.235(4) yes
  C21 C22 . 1.502(4) yes
  O22 Na1 2_656 2.3567(19) ?
  O22 Na2 5_666 2.451(2) ?
  C11 Na1 2_656 3.116(3) ?
  C22 C23 . 1.525(5) yes
  C23 C24 . 1.498(5) yes
  C24 C25 . 1.514(7) yes
  C25 C26 . 1.483(10) yes
  O12 Na1 . 2.368(2) yes
  Na1 O22 6_556 2.3567(19) ?
  Na1 O22 2_656 2.3567(19) yes
  Na1 O12 5_657 2.368(2) ?
  Na1 O11 6_556 2.460(2) yes
  Na1 O11 2_656 2.460(2) ?
  Na1 C11 2_656 3.116(3) ?
  Na1 C11 6_556 3.116(3) ?
  Na1 Zn 5_657 3.2439(5) ?
  Na1 Na2 1_545 3.5594(13) ?
  Na1 Na2 5_667 3.5594(13) ?
  O21 Na2 . 2.468(3) yes
  Na2 O22 6_566 2.451(2) yes
  Na2 O22 5_666 2.451(2) ?
  Na2 O21 2_656 2.468(3) ?
  Na2 O12 1_565 2.520(3) yes
  Na2 O12 2_666 2.520(3) ?
  Na2 Na1 1_565 3.5594(12) ?
  Na2 Na1 2_666 3.5594(12) ?