Crystallography Open Database

Information card for entry 4333597

Preview

Coordinates	4333597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H124 Cl4 Cu2 F6 N8 O6 P2 S2 Ti6
Calculated formula	C90 H124 Cl4 Cu2 F6 N8 O6 P2 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	12.53 ± 0.003 Å
b	12.621 ± 0.003 Å
c	18.7029 ± 0.0018 Å
α	89.017 ± 0.014°
β	71.718 ± 0.013°
γ	68.809 ± 0.013°
Cell volume	2603 ± 1 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1254
Residual factor for significantly intense reflections	0.0575
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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.	4333597.cif
99392	2014-01-31	cif/ Adding structures of 4333597 via cif-deposit CGI script.	4333597.cif