Crystallography Open Database

Information card for entry 1514828

Preview

Coordinates	1514828.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	((CF3PY5Me2)Co(NCCH3))(CF3SO3)2
Formula	C38 H33 Co F9 N8 O6 S2
Calculated formula	C38 H33 Co F9 N8 O6 S2
SMILES	[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.CC#[N][Co]1234[n]5c(cc(cc5C(c5[n]1cccc5)(c1[n]2cccc1)C)C(F)(F)F)C(c1[n]3cccc1)(c1[n]4cccc1)C.CC#N.CC#N
Title of publication	Photocatalytic generation of hydrogen from water using a cobalt pentapyridine complex in combination with molecular and semiconductor nanowire photosensitizers
Authors of publication	Sun, Yujie; Sun, Jianwei; Long, Jeffrey R.; Yang, Peidong; Chang, Christopher J.
Journal of publication	Chemical Science
Year of publication	2013
Journal volume	4
Journal issue	1
Pages of publication	118
a	23.898 ± 0.003 Å
b	15.593 ± 0.002 Å
c	23.95 ± 0.003 Å
α	90°
β	109.468 ± 0.002°
γ	90°
Cell volume	8414.5 ± 1.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.065
Residual factor for significantly intense reflections	0.0542
Weighted residual factors for significantly intense reflections	0.1519
Weighted residual factors for all reflections included in the refinement	0.1627
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
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.	1514828.cif
110276	2014-04-18	cif/ Adding structures of 1514828 via cif-deposit CGI script.	1514828.cif