Crystallography Open Database

Information card for entry 1512483

Preview

Coordinates	1512483.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H41 Co F6 N5 O2 P
Calculated formula	C32 H41 Co F6 N5 O2 P
SMILES	[Co]1234(Oc5c(O1)c(cc(c5)C(C)(C)C)C(C)(C)C)[n]1ccccc1C[N]4(Cc1[n]2cccc1)Cn1[n]3c(cc1C)C.[P](F)(F)(F)(F)(F)[F-]
Title of publication	The effects of tripodal ligands on charge distribution in cobalt(III)-catecholate and cobalt(II)-semiquinonate compounds
Authors of publication	Fan Yu; Bao Li
Journal of publication	Inorganica Chimica Acta
Year of publication	2012
Journal volume	392
Pages of publication	199 - 203
a	12.786 ± 0.003 Å
b	16.59 ± 0.003 Å
c	19.652 ± 0.004 Å
α	90°
β	106.68 ± 0.03°
γ	90°
Cell volume	3993.2 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1687
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.2572
Weighted residual factors for all reflections included in the refinement	0.2905
Goodness-of-fit parameter for all reflections included in the refinement	0.962
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1512483.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1512483.cif
89412	2013-10-24	cif/ Adding structures of 1512483 via cif-deposit CGI script.	1512483.cif