Crystallography Open Database

Information card for entry 7219002

7219001 << 7219002 >> 7219003

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Coordinates	7219002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4.36 N3.36 O3 Zn
Calculated formula	C6 H4.361 N3.361 O3 Zn
Title of publication	Formation of a Metal-Organic Framework with High Gases Uptakes Based upon Amino-Decorated Polyhedral Cages
Authors of publication	Yun, Ruirui; Cui, Ranran; Qian, Fujun; Cao, Xiaoyan; luo, shizhong; Zheng, Baishu
Journal of publication	RSC Adv.
Year of publication	2014
a	13.4537 ± 0.0009 Å
b	13.4537 ± 0.0009 Å
c	27.329 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	4946.6 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	130
Hermann-Mauguin space group symbol	P 4/n c c :2
Hall space group symbol	-P 4a 2ac
Residual factor for all reflections	0.0532
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1469
Weighted residual factors for all reflections included in the refinement	0.1528
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180521 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/90.	7219002.cif
128070	2014-12-03	cif/ Adding structures of 7219002 via cif-deposit CGI script.	7219002.cif