Crystallography Open Database

Information card for entry 7107690

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Coordinates	7107690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H30 N8 Ni2 O8 S4
Calculated formula	C44 H30 N8 Ni2 O8 S4
Title of publication	Adsorption and separation of poly-aromatic hydrocarbons by a hydrogen-bonded coordination polymer
Authors of publication	and; Ryo Sekiya; Shin-ichi Nishikiori
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	5022
a	11.143 ± 0.0006 Å
b	14.117 ± 0.0008 Å
c	14.372 ± 0.0008 Å
α	98.177 ± 0.001°
β	97.785 ± 0.001°
γ	107.03 ± 0.001°
Cell volume	2101.9 ± 0.2 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0897
Weighted residual factors for all reflections included in the refinement	0.0952
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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