Crystallography Open Database

Information card for entry 7028434

Preview

Coordinates	7028434.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 Mn3 N2 O14
Calculated formula	C54 H44 Mn3 N2 O14
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	16.3456 ± 0.0019 Å
b	16.3456 ± 0.0019 Å
c	16.59 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	3838.7 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0715
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1574
Weighted residual factors for all reflections included in the refinement	0.1661
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	7028434.cif
105316	2014-03-12	cif/ Adding structures of 7028431, 7028432, 7028433, 7028434, 7028435, 7028436 via cif-deposit CGI script.	7028434.cif