Crystallography Open Database

Information card for entry 7213891

Preview

Coordinates	7213891.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 N3 O8 Zn
Calculated formula	C20 H16 N3 O8 Zn
Title of publication	Structural diversity of four new metal‒organic frameworks with a curved tetracarboxdiimide dicarboxylic acid
Authors of publication	Li, Huimin; Zhou, Jingmin; Shi, Wei; Zhang, Xuejing; Zhang, Zhenjie; Zhang, Meng; Cheng, Peng
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	5
Pages of publication	834
a	11.7133 ± 0.0003 Å
b	18.7995 ± 0.0005 Å
c	24.1755 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	5323.5 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0812
Residual factor for significantly intense reflections	0.0629
Weighted residual factors for significantly intense reflections	0.1713
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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