Crystallography Open Database

Information card for entry 1512852

Preview

Coordinates	1512852.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H40 B Co F4 N4 O4 P2
Calculated formula	C44 H40 B Co F4 N4 O4 P2
SMILES	F[B](F)(F)[F-].CCOC1=N[N]2=Cc3c([P]([Co]452(O1)OC(=N[N]4=Cc1c([P]5(c2ccccc2)c2ccccc2)cccc1)OCC)(c1ccccc1)c1ccccc1)cccc3
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	15.677 ± 0.001 Å
b	13.403 ± 0.001 Å
c	19.949 ± 0.002 Å
α	90°
β	93.012 ± 0.001°
γ	90°
Cell volume	4185.9 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	8
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	0.0535
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.1053
Weighted residual factors for all reflections included in the refinement	0.115
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	1512852.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512852.cif
90999	2013-11-22	cif/ Adding structures of 1512852 via cif-deposit CGI script.	1512852.cif