Crystallography Open Database

Information card for entry 7236347

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Coordinates	7236347.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H3 Ni O6
Calculated formula	C8 H3 Ni O6
Title of publication	Highly selective sorption of CO2 and N2O and strong gas-framework interactions in a nickel(ii) organic material
Authors of publication	Zhang, Xiaoping; Chen, Wenjie; Shi, Wei; Cheng, Peng
Journal of publication	Journal of Materials Chemistry A
Year of publication	2016
Journal volume	4
Journal issue	41
Pages of publication	16198
a	15.178 ± 0.0005 Å
b	15.178 ± 0.0005 Å
c	12.0813 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2783.19 ± 0.17 Å³
Cell temperature	129.6 ± 0.1 K
Ambient diffraction temperature	129.6 ± 0.1 K
Number of distinct elements	4
Space group number	98
Hermann-Mauguin space group symbol	I 41 2 2
Hall space group symbol	I 4bw 2bw
Residual factor for all reflections	0.0732
Residual factor for significantly intense reflections	0.0691
Weighted residual factors for significantly intense reflections	0.1735
Weighted residual factors for all reflections included in the refinement	0.1792
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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