Crystallography Open Database

Information card for entry 7020988

7020987 << 7020988 >> 7020989

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Coordinates	7020988.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H26 N12 Ni2 S8
Calculated formula	C31 H26 N12 Ni2 S8
Title of publication	Observation of intramolecular vibrations cooperating with the magnetic phase transition in a nickel-bis-dithiolene compound.
Authors of publication	Yu, Shan-Shan; Duan, Hai-Bao; Chen, Xuan-Rong; Tian, Zheng-Fang; Ren, Xiao-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	11
Pages of publication	3827 - 3834
a	19.08 ± 0.003 Å
b	7.1663 ± 0.001 Å
c	31.103 ± 0.004 Å
α	90°
β	104.318 ± 0.002°
γ	90°
Cell volume	4120.7 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0806
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1015
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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