Crystallography Open Database

Information card for entry 7052999

Preview

Coordinates	7052999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H22 Mg O13 Zn
Calculated formula	C18 H16 Mg O10 Zn
Title of publication	Synthesis, characterization and photoluminescent properties of Zn-based mono- and hetero-MOFs containing the R-isophthalate (R = methyl or tert-butyl) ligands
Authors of publication	Bo, Qi-Bing; Wang, Hong-Yan; Wang, Da-Qi
Journal of publication	New Journal of Chemistry
Year of publication	2013
Journal volume	37
Journal issue	2
Pages of publication	380
a	22.017 ± 0.0017 Å
b	16.2879 ± 0.0016 Å
c	13.7909 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4945.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.106
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.1529
Weighted residual factors for all reflections included in the refinement	0.1735
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
180083 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/29.	7052999.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052999.cif
73752	2013-02-21	cif/ Adding structures of 7052999, 7053000, 7053001, 7053002 via cif-deposit CGI script.	7052999.cif