Crystallography Open Database

Information card for entry 1501645

Preview

Coordinates	1501645.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[CoCl(dmgH)2(C5H4N-PO3Et2)]
Formula	C17 H28 Cl Co N5 O7 P
Calculated formula	C17 H28 Cl Co N5 O7 P
SMILES	[Co]12(Cl)([n]3ccc(P(=O)(OCC)OCC)cc3)(N(=O)=C(C(=N1=O)C)C)[N](O)=C(C(=[N]2O)C)C
Title of publication	Colloidal metal oxide particles loaded with synthetic catalysts for solar H2 production
Authors of publication	Lakadamyali, Fezile; Kato, Masaru; Reisner, Erwin
Journal of publication	Faraday Discussions
Year of publication	2012
Journal volume	155
Pages of publication	191
a	8.2787 ± 0.0006 Å
b	12.8802 ± 0.001 Å
c	21.4315 ± 0.0018 Å
α	90°
β	94.937 ± 0.007°
γ	90°
Cell volume	2276.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0662
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	0.896
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
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.	1501645.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1501645.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	1501645.cif
33500	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 1501645 via cif-deposit CGI script.	1501645.cif