Crystallography Open Database

Information card for entry 4338895

Preview

Coordinates	4338895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 F6 N2 P Ti
Calculated formula	C28 H22 F6 N2 P Ti
Title of publication	Selective oxidation and reduction of trinuclear titanium(II) hexaazatrinaphthylene complexes-synthesis, structure, and electrochemical investigations.
Authors of publication	Piglosiewicz, Ingmar M.; Beckhaus, Rüdiger; Wittstock, Gunther; Saak, Wolfgang; Haase, Detlef
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	18
Pages of publication	7610 - 7620
a	15.145 ± 0.0005 Å
b	19.569 ± 0.0012 Å
c	16.5042 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4891.4 ± 0.4 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1012
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.0836
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	0.817
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
179491 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/88.	4338895.cif
116993	2014-06-14	cif/ Adding structures of 4338895 via cif-deposit CGI script.	4338895.cif