Crystallography Open Database

Information card for entry 2203487

2203486 << 2203487 >> 2203488

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Structure parameters

Chemical name	Bis(O,O'-di-p-tolyldithiophosphato-κ^2^S,S')nickel(II)
Formula	C28 H28 Ni O4 P2 S4
Calculated formula	C28 H28 Ni O4 P2 S4
SMILES	O(c1ccc(cc1)C)P2(=[S][Ni]3(SP(Oc1ccc(cc1)C)(Oc1ccc(cc1)C)=[S]3)S2)Oc1ccc(cc1)C
Title of publication	Bis(<i>O,O</i>'-di-<i>p</i>-tolyldithiophosphato-κ^2^<i>S,S</i>')nickel(II)
Authors of publication	Zhang, Shu-Shang; Yang, Bo; Wang, Yan-Fang; Li, Xue-Mei; Jiao, Kui; Kassim, Mohammad. B.; Yamin, Bohari. M.
Journal of publication	Acta Crystallographica Section E
Year of publication	2004
Journal volume	60
Journal issue	4
Pages of publication	m485 - m486
a	7.1884 ± 0.0011 Å
b	9.3158 ± 0.0014 Å
c	12.1699 ± 0.0018 Å
α	78.605 ± 0.002°
β	81.335 ± 0.002°
γ	78.557 ± 0.002°
Cell volume	777.7 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.033
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.081
Weighted residual factors for all reflections included in the refinement	0.083
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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