Crystallography Open Database

Information card for entry 4316971

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Coordinates	4316971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H47 Fe4 Ni O12 P2 S6
Calculated formula	C51 H47 Fe4 Ni O12 P2 S6
Title of publication	Synthetic and Structural Investigations of Linear and Macrocyclic Nickel/Iron/Sulfur Cluster Complexes
Authors of publication	Li-Cheng Song; Yu-Long Li; Ling Li; Zhen-Chao Gu; Qing-Mei Hu
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	10174 - 10182
a	11.6271 ± 0.0003 Å
b	15.4929 ± 0.0009 Å
c	18.9112 ± 0.0012 Å
α	101.097 ± 0.009°
β	103.997 ± 0.015°
γ	108.164 ± 0.006°
Cell volume	3005.3 ± 0.5 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0978
Residual factor for significantly intense reflections	0.0755
Weighted residual factors for significantly intense reflections	0.1699
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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