Crystallography Open Database

Information card for entry 4110271

Preview

Coordinates	4110271.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	05162a
Formula	C106 H60 B2 F48 N6 Ru
Calculated formula	C106 H60 B2 F48 N6 Ru
Title of publication	Porous Crystalline Ruthenium Complexes Are Oxygen Sensors
Authors of publication	Kari A. McGee; David J. Veltkamp; Brian J. Marquardt; Kent R. Mann
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	15092 - 15093
a	31.074 ± 0.002 Å
b	15.349 ± 0.0013 Å
c	24.411 ± 0.002 Å
α	90°
β	116.615 ± 0.001°
γ	90°
Cell volume	10409.2 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.142
Goodness-of-fit parameter for all reflections included in the refinement	1.148
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178873 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/02.	4110271.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110271.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110271.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110271.cif