Crystallography Open Database

Information card for entry 7209991

7209990 << 7209991 >> 7209992

Preview

Coordinates	7209991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H12 Mg N2 O8
Calculated formula	C8 H12 Mg N2 O8
Title of publication	The effect of earth metal ion on the property of peptide-based metal‒organic frameworks
Authors of publication	Chen, Wu-lin; Chen, Wen-Xian; Zhuang, Gui-lin; Zheng, Jun; Tan, Li; Zhong, Xing; Wang, Jian-guo
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	27
Pages of publication	5545
a	7.5673 ± 0.0005 Å
b	9.3773 ± 0.0005 Å
c	7.7862 ± 0.0005 Å
α	90°
β	108.734 ± 0.007°
γ	90°
Cell volume	523.24 ± 0.06 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0405
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.1088
Weighted residual factors for all reflections included in the refinement	0.1116
Goodness-of-fit parameter for all reflections included in the refinement	1.192
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180430 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/99.	7209991.cif
86894	2013-07-12	cif/ Adding structures of 7209991, 7209992, 7209993, 7209994 via cif-deposit CGI script.	7209991.cif