Crystallography Open Database

Information card for entry 4507667

Preview

Coordinates	4507667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H21 Mg2 N3 O10
Calculated formula	C16 H16 Mg2 N3 O10
Title of publication	Two Isomeric Magnesium Metal‒Organic Frameworks with [24-MC-6] Metallacrown Cluster
Authors of publication	Han, Lei; Qin, Lan; Yan, Xiao-Zhi; Xu, Lan-Ping; Sun, Junliang; Yu, Lei; Chen, Hong-Bing; Zou, Xiaodong
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	5
Pages of publication	1807
a	16 ± 0.002 Å
b	16 ± 0.002 Å
c	7.5 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	1662.8 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1423
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.9077 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179612 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/76.	4507667.cif
85612	2013-05-07	cif/ Adding structures of 4507667 via cif-deposit CGI script.	4507667.cif