Crystallography Open Database

Information card for entry 7029712

Preview

Coordinates	7029712.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H14 N4 O5 Zn
Calculated formula	C14 H14 N4 O5 Zn
Title of publication	A microporous Zn(ii)-MOF with open metal sites: structure and selective adsorption properties.
Authors of publication	Zheng, Xiaofang; Huang, Yumei; Duan, Jingui; Wang, Chenggang; Wen, Lili; Zhao, Jinbo; Li, Dongfeng
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	22
Pages of publication	8311 - 8317
a	8.902 ± 0.002 Å
b	11.887 ± 0.003 Å
c	14.757 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1561.6 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0266
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.235
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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