Crystallography Open Database

Information card for entry 4306677

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Coordinates	4306677.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Ni O5
Calculated formula	C8 H12 Ni O5
Title of publication	Probing Single-Chain Magnets in a Family of Linear Chain Compounds Constructed by Magnetically Anisotropic Metal-Ions and Cyclohexane-1,2-Dicarboxylate Analogues
Authors of publication	Yan-Zhen Zheng; Wei Xue; Ming-Liang Tong; Xiao-Ming Chen; Shao-Liang Zheng
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11202 - 11211
a	25.881 ± 0.007 Å
b	6.858 ± 0.004 Å
c	10.376 ± 0.006 Å
α	90°
β	98.962 ± 0.016°
γ	90°
Cell volume	1819.2 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0885
Residual factor for significantly intense reflections	0.0664
Weighted residual factors for significantly intense reflections	0.1481
Weighted residual factors for all reflections included in the refinement	0.1591
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	Yes
Has F_obs	No

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