Crystallography Open Database

Information card for entry 7223504

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Coordinates	7223504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C98 H79 N5 O28 Zn6
Calculated formula	C98 H79 N5 O28 Zn6
Title of publication	Solvent-induced construction of two zinc metal‒organic frameworks for highly selective detection of nitroaromatic explosives
Authors of publication	Zhang, Chuanqi; Yan, Yan; Sun, Libo; Liang, Zhiqiang; Li, Jiyang
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	22
Pages of publication	4102
a	19.953 ± 0.007 Å
b	9.495 ± 0.004 Å
c	25.805 ± 0.01 Å
α	90°
β	91.915 ± 0.012°
γ	90°
Cell volume	4886 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.1493
Residual factor for significantly intense reflections	0.0917
Weighted residual factors for significantly intense reflections	0.2528
Weighted residual factors for all reflections included in the refinement	0.2937
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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