Crystallography Open Database

Information card for entry 4329688

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Coordinates	4329688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 F12 Ni P2 S4
Calculated formula	C28 H16 F12 Ni P2 S4
Title of publication	Probing Ni[S2PR2]2 Electronic Structure to Generate Insight Relevant to Minor Actinide Extraction Chemistry
Authors of publication	Scott R. Daly; Jason M. Keith; Enrique R. Batista; Kevin S. Boland; Stosh A. Kozimor; Richard L. Martin; Brian L. Scott
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7551 - 7560
a	10.803 ± 0.006 Å
b	11.195 ± 0.006 Å
c	13.291 ± 0.007 Å
α	90°
β	92.802 ± 0.006°
γ	90°
Cell volume	1605.5 ± 1.5 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0534
Residual factor for significantly intense reflections	0.0416
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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