Crystallography Open Database

Information card for entry 4348004

Preview

Coordinates	4348004.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H18 Cl2 Co N3 O
Calculated formula	C25 H18 Cl2 Co N3 O
SMILES	[Co]123(Cl)(Cl)Oc4c(C=[N]3c3c([N]2=C(c2[n]1cccc2)c1ccccc1)cccc3)cccc4
Title of publication	Oxidovanadium(iv), oxidomolybdenum(vi) and cobalt(iii) complexes of o-phenylenediamine derivatives: oxidative dehydrogenation and photoluminescence
Authors of publication	Chaudhuri, Satyabrata; Bera, Sachinath; Biswas, Manas Kumar; Roy, Amit Saha; Weyhermüller, Thomas; Ghosh, Prasanta
Journal of publication	Inorg. Chem. Front.
Year of publication	2014
Journal volume	1
Journal issue	4
Pages of publication	331
a	9.3416 ± 0.0005 Å
b	12.8676 ± 0.0007 Å
c	19.8225 ± 0.0011 Å
α	90°
β	103.333 ± 0.003°
γ	90°
Cell volume	2318.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0432
Weighted residual factors for significantly intense reflections	0.1145
Weighted residual factors for all reflections included in the refinement	0.1284
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232636 (current)	2019-11-23	cif/ Adding structures of 4348004, 4348005, 4348006 via cif-deposit CGI script.	4348004.cif