Crystallography Open Database

Information card for entry 7034623

Preview

Coordinates	7034623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H43 Mg3 N7 O16
Calculated formula	C35.97 H42.966 Mg3 N6.994 O15.998
Title of publication	Synthesis and characterization of three amino-functionalized metal-organic frameworks based on the 2-aminoterephthalic ligand.
Authors of publication	Yang, Ying; Lin, Rijia; Ge, Lei; Hou, Lei; Bernhardt, Paul; Rufford, Thomas E.; Wang, Shaobin; Rudolph, Victor; Wang, Yaoyu; Zhu, Zhonghua
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	17
Pages of publication	8190 - 8197
a	18.061 ± 0.002 Å
b	26.186 ± 0.007 Å
c	9.735 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	4604.1 ± 1.9 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.2079
Residual factor for significantly intense reflections	0.1498
Weighted residual factors for significantly intense reflections	0.3442
Weighted residual factors for all reflections included in the refinement	0.383
Goodness-of-fit parameter for all reflections included in the refinement	1.056
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180052 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/46.	7034623.cif
138763	2015-06-07	cif/ Updating files of 7034623, 7034624, 7034625 Original log message: Adding full bibliography for 7034623--7034625.cif.	7034623.cif
134438	2015-03-27	cif/ Adding structures of 7034623, 7034624, 7034625 via cif-deposit CGI script.	7034623.cif