Crystallography Open Database

Information card for entry 7019043

7019042 << 7019043 >> 7019044

Preview

Coordinates	7019043.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H100 F6 Li2 N8 O6 S2 Ti6
Calculated formula	C64 H100 F6 Li2 N8 O6 S2 Ti6
Title of publication	Electrophilic attack on trinuclear titanium imido-nitrido systems
Authors of publication	Caballo, Jorge; González-Moreiras, Mariano; Mena, Miguel; Pérez-Redondo, Adrián; Yélamos, Carlos
Journal of publication	Dalton Transactions
Year of publication	2012
Journal volume	41
Journal issue	20
Pages of publication	6069
a	16.296 ± 0.001 Å
b	19.247 ± 0.003 Å
c	11.924 ± 0.001 Å
α	90°
β	97.98 ± 0.01°
γ	90°
Cell volume	3703.7 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0787
Residual factor for significantly intense reflections	0.0523
Weighted residual factors for significantly intense reflections	0.1407
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation probe	x-ray
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
179894 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/90.	7019043.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7019043.cif
56031	2012-05-08	cif/ Adding structures of 7019042, 7019043 via cif-deposit CGI script.	7019043.cif