Crystallography Open Database

Information card for entry 1508257

Preview

Coordinates	1508257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H36 O110 Zn22
Calculated formula	C108 H36 O110 Zn22
Title of publication	Photophysical studies of Ru(II)tris(2,2'-bipyridine) confined within a Zn(II)-trimesic acid polyhedral metal-organic framework.
Authors of publication	Larsen, Randy W.; Wojtas, Lukasz
Journal of publication	The journal of physical chemistry. A
Year of publication	2012
Journal volume	116
Journal issue	30
Pages of publication	7830 - 7835
a	20.251 ± 0.002 Å
b	20.251 ± 0.002 Å
c	20.251 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8305 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	221
Hermann-Mauguin space group symbol	P m -3 m
Hall space group symbol	-P 4 2 3
Residual factor for all reflections	0.1037
Residual factor for significantly intense reflections	0.0987
Weighted residual factors for significantly intense reflections	0.2054
Weighted residual factors for all reflections included in the refinement	0.207
Goodness-of-fit parameter for all reflections included in the refinement	0.932
Diffraction radiation wavelength	0.40656 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508257.cif
113436	2014-05-12	cif/ Updating files of 1508257 Original log message: Adding full bibliography for 1508257.cif.	1508257.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1508257.cif
66245	2012-09-09	cif/ Adding structures of 1508257 via cif-deposit CGI script.	1508257.cif