Crystallography Open Database

Information card for entry 4516366

Preview

Coordinates	4516366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H28 N8 O8 S2 Zn2
Calculated formula	C48 H28 N8 O8 S2 Zn2
Title of publication	Syntheses, Characterization, and Luminescence Properties of Four Metal‒Organic Frameworks Based on a Linear-Shaped Rigid Pyridine Ligand
Authors of publication	Ju, Zemin; Yan, Wei; Gao, Xiangjing; Shi, Zhenzhen; Wang, Ting; Zheng, Hegen
Journal of publication	Crystal Growth & Design
Year of publication	2016
Journal volume	16
Journal issue	5
Pages of publication	2496
a	9.434 ± 0.0008 Å
b	12.8307 ± 0.0011 Å
c	20.1416 ± 0.0017 Å
α	84.029 ± 0.001°
β	78.849 ± 0.001°
γ	88.569 ± 0.001°
Cell volume	2379 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0915
Residual factor for significantly intense reflections	0.084
Weighted residual factors for significantly intense reflections	0.2433
Weighted residual factors for all reflections included in the refinement	0.2545
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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