Crystallography Open Database

Information card for entry 2009086

2009085 << 2009086 >> 2009087

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Coordinates	2009086.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Triaqua-(2,2'-bipyridyl-N,N')-(thiosulfato-S)-nickel(II) dihydrate
Formula	C10 H18 N2 Ni O8 S2
Calculated formula	C10 H18 N2 Ni O8 S2
SMILES	[Ni]1(SS(=O)(=O)[O-])([OH2])([OH2])([OH2])[n]2ccccc2c2[n]1cccc2.O.O
Title of publication	Triaqua(2,2'-bipyridyl-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) dihydrate and triaqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(thiosulfato-<i>S</i>)nickel(II) monohydrate
Authors of publication	Eleonora Freire; Sergio Baggio; Ricardo Baggio; Leopoldo Suescun
Journal of publication	Acta Crystallographica Section C
Year of publication	1999
Journal volume	55
Journal issue	11
Pages of publication	1780 - 1784
a	12.377 ± 0.003 Å
b	6.974 ± 0.0014 Å
c	19.822 ± 0.004 Å
α	90°
β	102.82 ± 0.03°
γ	90°
Cell volume	1668.3 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.036
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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