data_2010397
_journal_name_full  'Acta Crystallographica'
_journal_year  1995
_journal_volume  C51
_journal_page_first  37
_journal_page_last  40
_publ_section_title
;
Hexaaquanickel(II) D-Camphor-10-sulfonate
;
loop_
_publ_author_name
  'Henderson, W.'
  'Nicholson, B.K.'
_chemical_formula_moiety  'C20 H42 Ni1 O14 S2'
_chemical_formula_sum  'C20 H42 Ni1 O14 S2'
_chemical_formula_weight  629.37
_symmetry_cell_setting  monoclinic
_symmetry_space_group_name_H-M  'P 21'
_symmetry_space_group_name_Hall  'P 2y1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y+1/2,-z'
_cell_length_a  11.677(2)
_cell_length_b  7.064(2)
_cell_length_c  17.078(2)
_cell_angle_alpha  90.
_cell_angle_beta  94.22(2)
_cell_angle_gamma  90.
_cell_volume  1404.9(5)
_cell_formula_units_Z  2
_cell_measurement_temperature  143
_exptl_crystal_density_diffrn  1.488
_refine_ls_R_factor_obs  0.0491
_refine_ls_wR_factor_obs  0.0721
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Ni(1) .75870(10)
  .0000 .00590(10)
  .012(1)
  O(1) .6674(4) .2152(7) .0523(3) .016(1)
  O(2) .6504(2) -.0004(9) -.0926(2) .018(1)
  O(3) .8517(4) -.2151(7) -.0422(3) .016(1)
  O(4) .8647(2) -.0025(8) .1064(2) .018(1)
  O(5) .6669(4) -.2197(7) .0494(3) .016(1)
  O(6) .8496(4) .2213(7) -.0374(3) .016(1)
  S(1) .08220(10)
  .0022(3) .83550(10)
  .012(1)
  O(11) .2013(2) .0001(8) .8695(2) .016(1)
  O(12) .0188(4) .1686(6) .8600(3) .016(1)
  O(13) .0212(4) -.1745(6) .8488(3) .015(1)
  O(14) .1232(3) .0704(6) .5729(2) .029(1)
  C(11) -.0063(3) -.0138(11) .6744(2) .013(1)
  C(12) .0268(4) .0431(7) .5926(3) .020(1)
  C(13) -.0845(4) .0554(8) .5396(3) .023(1)
  C(14) -.1734(3) .0000(12) .5968(2) .017(1)
  C(15) -.1578(4) -.2155(8) .6122(3) .020(1)
  C(16) -.0415(4) -.2242(8) .6627(3) .016(1)
  C(17) -.1259(4) .0878(8) .6764(3) .015(1)
  C(18) -.1996(4) .0326(9) .7434(2) .019(1)
  C(19) -.1154(5) .3045(8) .6734(3) .024(1)
  C(110) .0955(4) .0270(10) .7331(2) .014(1)
  S(2) .40800(10)
  -.0002(3) .14770(10)
  .012(1)
  O(21) .2853(2) .0007(9) .1221(2) .016(1)
  O(22) .4665(4) -.1723(6) .1247(3) .017(1)
  O(23) .4678(4) .1702(6) .1241(3) .015(1)
  O(24) .4618(4) -.2454(7) .3836(2) .024(1)
  C(21) .5300(3) .0043(12) .2984(2) .015(1)
  C(22) .5293(5) -.1224(8) .3721(3) .019(1)
  C(23) .6301(5) -.0570(8) .4274(3) .023(1)
  C(24) .6815(4) .1042(8) .3803(3) .017(1)
  C(25) .7412(3) .0085(13) .3130(2) .021(1)
  C(26) .6388(4) -.0655(7) .2583(3) .015(1)
  C(27) .5714(4) .1936(8) .3370(3) .016(1)
  C(28) .5994(4) .3517(8) .2798(3) .019(1)
  C(29) .4910(5) .2765(10) .3941(4) .024(2)
  C(210) .4126(3) -.0007(12) .2519(2) .015(1)
  H(11) .708(5)  .296(7)  .081(3)  .025(4)
  H(12) .600(3)  .209(10)  .070(3)  .025(4)
  H(21) .609(5)  -.097(7)  -.111(3)  .025((4)
  H(22) .595(4)  .083(7)  -.096(3)  .025(4)
  H(31) .810(5)  -.299(8)  -.067(4)  .025(4)
  H(32) .898(4)  -.178(9)  -.077(3)  .025(4)
  H(41) .917(4)  .083(7)  .106(3)  .025(4)
  H(42) .899(5)  -.104(6)  .124(3)  .025(4)
  H(51) .700(5)  -.312(7)  .076(3)  .025(4)
  H(52) .616(4)  -.178(9)  .078(3)  .025(4)
  H(61) .802(4)  .304(8)  -.057(4)  .025(4)
  H(62) .903(4)  .223(10)  -.069(3)  .025(4)
  H(13A) -.0978(4) .1851(8) .5190(3) .028
  H(13B) -.0842(4) -.0346(8) .4951(3) .028
  H(14) -.2538(3) .0385(12) .5798(2) .021
  H(15A) -.1538(4) -.2863(8) .5625(3) .024
  H(15B) -.2211(4) -.2670(8) .6413(3) .024
  H(16A) -.0510(4) -.2864(8) .7138(3) .019
  H(16B) .0167(4) -.2945(8) .6350(3) .019
  H(18A) -.177(2)  .109(4)  .7899(7) .029
  H(18B) -.188(2)  -.1019(15) .7557(13) .029
  H(18C) -.2807(5) .056(5)  .7273(8) .029
  H(19A) -.066(2)  .3401(8) .6320(14) .036
  H(19B) -.082(3)  .3514(9) .7241(7) .036
  H(19C) -.1917(6) .3602(8) .662(2)  .036
  H(11A) .1201(4) .1587(10) .7239(2) .017
  H(11B) .1592(4) -.0564(10) .7194(2) .017
  H(23A) .6864(5) -.1603(8) .4382(3) .028
  H(23B) .6038(5) -.0101(8) .4776(3) .028
  H(24) .7307(4) .1953(8) .4125(3) .021
  H(25A) .7911(3) -.0969(13) .3329(3) .026
  H(25B) .7878(3) .1006(13) .2854(2) .026
  H(26A) .6401(4) -.2054(7) .2549(3) .018
  H(26B) .6407(4) -.0120(7) .2049(3) .018
  H(28A) .648(2)  .3009(13) .2401(11) .029
  H(28B) .641(2)  .454(2)  .3088(4) .029
  H(28C) .5279(4) .402(3)  .2540(14) .029
  H(29A) .5329(9) .368(4)  .4284(14) .035
  H(29B) .461(2)  .1746(12) .4260(15) .035
  H(29C) .4268(17) .340(5)  .3647(4) .035
  H(21A) .3681(3) .1099(12) .2683(2) .018
  H(21B) .3718(3) -.1154(12) .2682(2) .018
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
  Ni(1) O(1) . . 2.050(5) yes
  Ni(1) O(3) . . 2.073(5) yes
  Ni(1) O(5) . . 2.056(5) yes
  Ni(1) O(2) . . 2.029(3) yes
  Ni(1) O(4) . . 2.041(3) yes
  Ni(1) O(6) . . 2.058(5) yes
  S(1) O(11) . . 1.467(3) yes
  S(1) O(13) . . 1.463(5) yes
  O(14) C(12) . . 1.214(6) yes
  S(2) O(22) . . 1.462(5) yes
  S(2) C(210) . . 1.776(4) yes
  S(1) O(12) . . 1.466(5) yes
  S(1) C(110) . . 1.776(4) yes
  S(2) O(21) . . 1.467(3) yes
  S(2) O(23) . . 1.464(5) yes
  O(24) C(22) . . 1.199(7) yes
  O(1) H(11) . . 0.87(2) no
  O(2) H(22) . . 0.87(2) no
  O(4) H(41) . . 0.86(2) no
  O(5) H(52) . . 0.85(2) no
  C(11) C(12) . . 1.530(6) no
  C(12) C(13) . . 1.530(6) no
  C(14) C(17) . . 1.559(7) no
  C(17) C(19) . . 1.537(7) no
  C(21) C(210) . . 1.534(5) no
  C(21) C(26) . . 1.566(6) no
  C(24) C(25) . . 1.543(7) no
  C(27) C(29) . . 1.521(8) no
  O(1) H(12) . . 0.86(2) no
  O(3) H(31) . . 0.87(2) no
  O(4) H(42) . . 0.86(2) no
  O(6) H(61) . . 0.86(2) no
  C(11) C(16) . . 1.551(9) no
  C(13) C(14) . . 1.529(6) no
  C(15) C(16) . . 1.554(6) no
  C(21) C(27) . . 1.552(8) no
  C(22) C(23) . . 1.525(7) no
  C(24) C(27) . . 1.568(6) no
  C(27) C(28) . . 1.534(7) no
  O(2) H(21) . . 0.88(2) no
  O(3) H(32) . . 0.87(2) no
  O(5) H(51) . . 0.86(2) no
  O(6) H(62) . . 0.86(2) no
  C(11) C(110) . . 1.525(5) no
  C(11) C(17) . . 1.573(6) no
  C(14) C(15) . . 1.554(9) no
  C(17) C(18) . . 1.531(6) no
  C(21) C(22) . . 1.545(8) no
  C(23) C(24) . . 1.541(7) no
  C(25) C(26) . . 1.553(6) no