Crystallography Open Database

Information card for entry 2214327

Preview

Coordinates	2214327.cif
Structure factors	2214327.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[diaquabis[(4-chlorophenylsulfinyl)acetato- κ<i>O</i>]nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Formula	C26 H24 Cl2 N2 Ni O8 S2
Calculated formula	C26 H24 Cl2 N2 Ni O8 S2
SMILES	[Ni](OC(=O)CS(=O)c1ccc(Cl)cc1)(OC(=O)CS(=O)c1ccc(Cl)cc1)([OH2])([OH2])[n]1ccc(cc1)c1cc[n](cc1)[Ni](OC(=O)CS(=O)c1ccc(Cl)cc1)(OC(=O)CS(=O)c1ccc(Cl)cc1)([OH2])([OH2])[n]1ccc(c2ccncc2)cc1
Title of publication	<i>catena</i>-Poly[[diaquabis[(4-chlorophenylsulfinyl)acetato-κ<i>O</i>]nickel(II)]-μ-4,4'-bipyridine-κ^2^<i>N</i>:<i>N</i>']
Authors of publication	Su, Yu; Hou, Yan-Jun; Sun, Zhi-Zhong; Li, Bai-Yan; Hou, Guang-Feng
Journal of publication	Acta Crystallographica Section E
Year of publication	2007
Journal volume	63
Journal issue	7
Pages of publication	m1970 - m1970
a	20.269 ± 0.004 Å
b	25.503 ± 0.006 Å
c	11.345 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	5864 ± 6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0343
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0708
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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