Crystallography Open Database

Information card for entry 4333592

Preview

Coordinates	4333592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H110 Cu2 F6 N10 O6 S2 Ti6
Calculated formula	C69 H110 Cu2 F6 N10 O6 S2 Ti6
Title of publication	Copper(I) and Silver(I) Complexes Supported by the Tridentate [{Ti(η5-C5Me5)(μ-NH)}3(μ3-N)] Metalloligand
Authors of publication	Avelino Martín; Noelia Martínez-Espada; Miguel Mena; Adrián Pérez-Redondo; Carlos Yélamos
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	918 - 930
a	35.874 ± 0.007 Å
b	12.173 ± 0.004 Å
c	21.981 ± 0.003 Å
α	90°
β	120.404 ± 0.011°
γ	90°
Cell volume	8279 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.064
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179438 (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 4/33/35.	4333592.cif
99387	2014-01-31	cif/ Adding structures of 4333592 via cif-deposit CGI script.	4333592.cif