data_2007039
_journal_name_full  'Acta Crystallographica'
_journal_year  1998
_journal_volume  C54
_journal_page_first  195
_journal_page_last  197
_publ_section_title
;
Diaquabis[N-(1-naphthyl)-N-nitrosohydroxylaminato-O,O']cobalt(II)
;
loop_
_publ_author_name
  'Kyoko Tamaki'
  'Nobuo Okabe'
_chemical_formula_moiety  'C20 H18 Co N4 O6'
_chemical_formula_sum  'C20 H18 Co N4 O6'
_chemical_formula_iupac  '[Co(C~10~H~7~N~2~O~2~)~2~(H~2~O)~2~]'
_chemical_formula_weight  469.32
_symmetry_cell_setting   monoclinic
_symmetry_space_group_name_H-M  'C 2/c'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  'x,-y,1/2+z'
  '1/2+x,1/2+y,z'
  '1/2-x,1/2+y,1/2-z'
  '1/2-x,1/2-y,-z'
  '1/2+x,1/2-y,1/2+z'
_cell_length_a  31.647(3)
_cell_length_b  5.598(5)
_cell_length_c  11.327(2)
_cell_angle_alpha  90
_cell_angle_beta  105.30(2)
_cell_angle_gamma  90
_cell_volume  1936(2)
_cell_formula_units_z  4
_cell_measurement_temperature  296
_exptl_crystal_density_diffrn  1.610
_refine_ls_R_factor_obs  .040
_refine_ls_wR_factor_obs  .041
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
  Co(1) 0  .18570(10)
  .25
  O(1)  .05031(6)  .4395(4)  .2768(2)
  O(2)  .02248(6)  .2250(4)  .4381(2)
  O(3)  -.03525(8)  -.0898(4)  .3111(2)
  N(1)  .06819(7)  .4757(4)  .3953(2)
  N(2)  .05476(8)  .3719(4)  .4799(2)
  C(1)  .10218(8)  .6519(5)  .4337(2)
  C(2)  .09800(10)
  .8146(6)  .5189(3)
  C(3)  .13010(10)
  .9912(6)  .5591(3)
  C(4)  .16550(10)
  1.0005(6)  .5111(3)
  C(5)  .20820(10)
  .8349(7)  .3766(3)
  C(6)  .21370(10)
  .6684(7)  .2957(3)
  C(7)  .18240(10)
  .4892(7)  .2560(3)
  C(8)  .14570(10)
  .4783(5)  .2979(3)
  C(9)  .13891(8)  .6504(5)  .3828(2)
  C(10)  .17085(9)  .8320(5)  .4237(3)
  H(1)  .0730(9)  .815(5)  .547(2)
  H(2)  .1270(10)
  1.094(6)  .611(3)
  H(3)  .1860(10)
  1.125(6)  .539(3)
  H(4)  .2280(10)
  .953(6)  .406(3)
  H(5)  .2380(10)
  .680(6)  .267(3)
  H(6)  .1850(10)
  .378(6)  .199(3)
  H(7)  .1250(10)
  .359(6)  .277(3)
  H(31)  -.0280(10)
  -.106(8)  .379(4)
  H(32)  -.0400(10)
  -.236(8)  .278(4)
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
  Co(1)  .0276(3)  .0205(3)  .0207(3) 0  .0093(2) 0
  O(1)  .0350(10)
  .0320(10)
  .0183(9)  -.0067(9)  .0051(8)  .0009(8)
  O(2)  .0390(10)
  .0360(10)
  .0250(10)
  -.0140(10)
  .0079(8)  .0020(9)
  O(3)  .061(2)  .0310(10)
  .0270(10)
  -.0190(10)
  .0190(10)
  -.0040(10)
  N(1)  .0280(10)
  .0250(10)
  .0200(10)
  -.0020(10)
  .0054(9)  .0000(10)
  N(2)  .0380(10)
  .0340(10)
  .0230(10)
  -.0070(10)
  .0080(10)
  .0020(10)
  C(1)  .0260(10)
  .0250(10)
  .0240(10)
  -.0010(10)
  .0020(10)
  .0040(10)
  C(2)  .037(2)  .0320(10)
  .0320(10)
  .0020(10)
  .0090(10)
  -.0030(10)
  C(3)  .048(2)  .031(2)  .034(2)  .0010(10)
  .0040(10)
  -.0100(10)
  C(4)  .042(2)  .032(2)  .035(2)  -.0090(10)
  .0000(10)
  -.0040(10)
  C(5)  .031(2)  .049(2)  .046(2)  -.013(2)  .0060(10)
  .004(2)
  C(6)  .031(2)  .060(2)  .048(2)  -.004(2)  .0140(10)
  .004(2)
  C(7)  .035(2)  .050(2)  .039(2)  .003(2)  .0150(10)
  -.005(2)
  C(8)  .0310(10)
  .032(2)  .0330(10)
  -.0010(10)
  .0090(10)
  -.0010(10)
  C(9)  .0280(10)
  .0250(10)
  .0240(10)
  .0010(10)
  .0050(10)
  .0040(10)
  C(10)  .0310(10)
  .0300(10)
  .0310(10)
  -.0040(10)
  .0030(10)
  .0040(10)
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
  Co(1) O(1) . . 2.095(2) yes
  Co(1) O(2) . . 2.073(2) yes
  Co(1) O(3) . . 2.124(3) yes
  O(1) N(1) . . 1.327(3) yes
  O(2) N(2) . . 1.300(3) yes
  N(1) N(2) . . 1.285(3) yes
  N(1) C(1) . . 1.440(3) yes
  C(1) C(2) . . 1.358(4) yes
  C(1) C(9) . . 1.427(4) yes
  C(2) C(3) . . 1.405(4) yes
  C(3) C(4) . . 1.369(5) yes
  C(4) C(10) . . 1.410(4) yes
  C(5) C(6) . . 1.352(5) yes
  C(5) C(10) . . 1.419(4) yes
  C(6) C(7) . . 1.398(5) yes
  C(7) C(8) . . 1.368(4) yes
  C(8) C(9) . . 1.417(4) yes
  C(9) C(9) . . 1.422(4) yes
  O(3) H(31) . .  .75(4) no
  O(3) H(32) . .  .89(4) no
  C(2) H(1) . .  .93(3) no
  C(3) H(2) . .  .85(3) no
  C(4) H(3) . .  .94(3) no
  C(5) H(4) . .  .91(3) no
  C(6) H(5) . .  .91(3) no
  C(7) H(6) . .  .91(3) no
  C(8) H(7) . .  .93(3) no