Crystallography Open Database

Information card for entry 4337686

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Coordinates	4337686.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H42 N4 Ni O8 S6
Calculated formula	C34 H39 N4 Ni O8 S6
Title of publication	Role of the coordination center in photocurrent behavior of a tetrathiafulvalene and metal complex dyad.
Authors of publication	Sun, Yong-Gang; Ji, Shu-Fang; Huo, Peng; Yin, Jing-Xue; Huang, Yu-De; Zhu, Qin-Yu; Dai, Jie
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	6
Pages of publication	3078 - 3087
a	8.7233 ± 0.0008 Å
b	9.9107 ± 0.0009 Å
c	47.563 ± 0.005 Å
α	90°
β	91.594 ± 0.003°
γ	90°
Cell volume	4110.4 ± 0.7 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1283
Residual factor for significantly intense reflections	0.0899
Weighted residual factors for significantly intense reflections	0.1436
Weighted residual factors for all reflections included in the refinement	0.1602
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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