Crystallography Open Database

Information card for entry 4336317

Preview

Coordinates	4336317.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H57 F3 N4 O3 S Si Ti3
Calculated formula	C34 H57 F3 N4 O3 S Si Ti3
Title of publication	Reactivity with Electrophiles of Imido Groups Supported on Trinuclear Titanium Systems
Authors of publication	Jorge Caballo; Mariano González-Moreiras; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	11519 - 11529
a	19.579 ± 0.014 Å
b	20 ± 0.006 Å
c	21.2235 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	8311 ± 6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
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	0.1314
Residual factor for significantly intense reflections	0.0725
Weighted residual factors for significantly intense reflections	0.1724
Weighted residual factors for all reflections included in the refinement	0.2194
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation probe	x-ray
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
179466 (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 4/33/63.	4336317.cif
102295	2014-02-19	cif/ Adding structures of 4336317 via cif-deposit CGI script.	4336317.cif