Crystallography Open Database

Information card for entry 4333594

Preview

Coordinates	4333594.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H62 Cu F4 N5 O3 S Ti3
Calculated formula	C36 H57 Cu F3 N5 O3 S Ti3
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	11.2364 ± 0.0007 Å
b	17.283 ± 0.004 Å
c	25.424 ± 0.006 Å
α	90°
β	94.77 ± 0.01°
γ	90°
Cell volume	4920.2 ± 1.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0941
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1636
Weighted residual factors for all reflections included in the refinement	0.1776
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	4333594.cif
99389	2014-01-31	cif/ Adding structures of 4333594 via cif-deposit CGI script.	4333594.cif