Crystallography Open Database

Information card for entry 4507668

Preview

Coordinates	4507668.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	27.384 ± 0.0006 Å
b	27.384 ± 0.0006 Å
c	9.114 ± 0.0004 Å
α	90°
β	90°
γ	120°
Cell volume	5918.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1035
Residual factor for significantly intense reflections	0.0768
Weighted residual factors for significantly intense reflections	0.2388
Weighted residual factors for all reflections included in the refinement	0.2543
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
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.	4507668.cif
85613	2013-05-07	cif/ Adding structures of 4507668 via cif-deposit CGI script.	4507668.cif