Crystallography Open Database

Information card for entry 7106140

Preview

Coordinates	7106140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H22 Cu I2 N4
Calculated formula	C16 H22 Cu I2 N4
SMILES	I[Cu]123[n]4c5ccccc5ccc4C[N]43CC[NH]1CC[NH]2CC4.[I-]
Title of publication	Colorimetric response to anions by a robust copper(II) complex of a [9]aneN3 pendant arm derivative: CN? and I? selective sensing
Authors of publication	Marta Aguado Tetilla; M. Carla Aragoni; Massimiliano Arca; Claudia Caltagirone; Carla Bazzicalupi; Andrea Bencini; Alessandra Garau; Francesco Isaia; Antonio Laguna; Vito Lippolis; Valeria Meli
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	3805
a	15.858 ± 0.001 Å
b	7.8424 ± 0.0004 Å
c	31.456 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	3912 ± 0.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.127
Residual factor for significantly intense reflections	0.0509
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	0.763
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
180165 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/61.	7106140.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7106140.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7106140.cif
16305	2011-03-23	../uploads/cif-deposit/cod/cif Adding structures of 7106139, 7106140 via cif-deposit CGI script.	7106140.cif