Crystallography Open Database

Information card for entry 4106284

Preview

Coordinates	4106284.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(NMe2PY5Me2)Co(OTf)]OTf
Formula	C41.25 H49 Co F6 N6 O9.5 S2
Calculated formula	C41.254 H49.016 Co F6 N6 O8.5 S2
Title of publication	Molecular Cobalt Pentapyridine Catalysts for Generating Hydrogen from Water
Authors of publication	Yujie Sun; Julian P. Bigi; Nicholas A. Piro; Ming Lee Tang; Jeffrey R. Long; Christopher J. Chang
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	9212 - 9215
a	21.8445 ± 0.0015 Å
b	15.8758 ± 0.0011 Å
c	13.9791 ± 0.001 Å
α	90°
β	95.097 ± 0.001°
γ	90°
Cell volume	4828.8 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1782
Weighted residual factors for all reflections included in the refinement	0.1887
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4106284.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106284.cif
53082	2012-04-17	cif/ Adding structures of 4106284 via cif-deposit CGI script.	4106284.cif