Crystallography Open Database

Information card for entry 7223056

Preview

Coordinates	7223056.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8
Calculated formula	C137.4 H114.8 Cl2.8 N8 Ni4 P8 S8
Title of publication	New Ni(ii) 1,2-bis(diphenylphosphino)ethane dithiolates: crystallographic, computational and Hirshfeld surface analyses
Authors of publication	Yadav, Reena; Trivedi, Manoj; Kociok-Köhn, Gabriele; Prasad, Rajendra; Kumar, Abhinav
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	47
Pages of publication	9175
a	11.7944 ± 0.0001 Å
b	18.1645 ± 0.0002 Å
c	61.6538 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	13208.7 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	43
Hermann-Mauguin space group symbol	F 2 d d
Hall space group symbol	F -2d 2
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.0707
Weighted residual factors for all reflections included in the refinement	0.0758
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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