Crystallography Open Database

Information card for entry 7028431

Preview

Coordinates	7028431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 Mn N2 O14 Zn2
Calculated formula	C54 H44 Mn N2 O14 Zn2
Title of publication	Homo- and heterometallic luminescent 2-D stilbene metal-organic frameworks.
Authors of publication	Bauer, Christina A.; Jones, Simon C.; Kinnibrugh, Tiffany L.; Tongwa, Paul; Farrell, Richard A.; Vakil, Avinash; Timofeeva, Tatiana V.; Khrustalev, Victor N.; Allendorf, Mark D.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	7
Pages of publication	2925 - 2935
a	16.1173 ± 0.0016 Å
b	16.1173 ± 0.0016 Å
c	16.617 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	3738.2 ± 0.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0899
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	0.937
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
179990 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/84.	7028431.cif
105316	2014-03-12	cif/ Adding structures of 7028431, 7028432, 7028433, 7028434, 7028435, 7028436 via cif-deposit CGI script.	7028431.cif