Crystallography Open Database

Information card for entry 7028436

Preview

Coordinates	7028436.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H44 Co N2 O14 Zn2
Calculated formula	C54 H44 Co 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	16.1476 ± 0.0019 Å
b	16.1476 ± 0.0019 Å
c	16.476 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	3720.5 ± 1.1 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	0.0455
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.112
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7028436.cif
105316	2014-03-12	cif/ Adding structures of 7028431, 7028432, 7028433, 7028434, 7028435, 7028436 via cif-deposit CGI script.	7028436.cif