Crystallography Open Database

Information card for entry 1512851

Preview

Coordinates	1512851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H21 N2 O2 P
Calculated formula	C22 H21 N2 O2 P
SMILES	CCOC(=O)N/N=C/c1ccccc1P(c1ccccc1)c1ccccc1
Title of publication	Synthesis, characterisation and biological activity of Co(III) complex with the condensation product of 2-(diphenylphosphino)benzaldehyde and ethyl carbazate
Authors of publication	Milica Milenkovic; Alessia Bacchi; Giulia Cantoni; Sinisa Radulovic; Nevenka Gligorijevic; Sandra Arandelovic; Dusan Sladic; Miroslava Vujcic; Dragana Mitic; Katarina Andelkovic
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	395
Pages of publication	33 - 43
a	24.584 ± 0.003 Å
b	9.2487 ± 0.0004 Å
c	36.028 ± 0.002 Å
α	90°
β	98.297 ± 0.006°
γ	90°
Cell volume	8105.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0452
Residual factor for significantly intense reflections	0.0425
Weighted residual factors for significantly intense reflections	0.1219
Weighted residual factors for all reflections included in the refinement	0.1247
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	1512851.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512851.cif
90998	2013-11-22	cif/ Adding structures of 1512851 via cif-deposit CGI script.	1512851.cif