Crystallography Open Database

Information card for entry 7717280

Preview

Coordinates	7717280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H17 N6 Ni S4
Calculated formula	C17 H17 N6 Ni S4
Title of publication	Spin and Dielectric Transitions Promoted by Dimerization of Anionic Radical Stack and Volume-conserving Motion of Cations in an Ion-pair Compound
Authors of publication	Feng, Zi-Heng; Zhu, Qin-Yu; Qian, yin; Gao, Xu-Sheng; Ren, Xiaoming
Journal of publication	Dalton Transactions
Year of publication	2024
a	20.09 ± 0.07 Å
b	7.18 ± 0.02 Å
c	16.16 ± 0.05 Å
α	90°
β	90°
γ	90°
Cell volume	2331 ± 13 Å³
Cell temperature	368 ± 2 K
Ambient diffraction temperature	368.15 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1341
Residual factor for significantly intense reflections	0.0889
Weighted residual factors for significantly intense reflections	0.2217
Weighted residual factors for all reflections included in the refinement	0.2692
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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