Crystallography Open Database

Information card for entry 7106139

Preview

Coordinates	7106139.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H23 B Cu F4 N5 O0.5
Calculated formula	C17 H22 B Cu F4 N5 O0.5
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	6.9541 ± 0.0006 Å
b	9.935 ± 0.001 Å
c	14.552 ± 0.001 Å
α	84.396 ± 0.008°
β	80.834 ± 0.008°
γ	82.115 ± 0.008°
Cell volume	980.2 ± 0.15 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1213
Residual factor for significantly intense reflections	0.0673
Weighted residual factors for significantly intense reflections	0.1507
Weighted residual factors for all reflections included in the refinement	0.1667
Goodness-of-fit parameter for all reflections included in the refinement	0.91
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7106139.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7106139.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7106139.cif
16305	2011-03-23	../uploads/cif-deposit/cod/cif Adding structures of 7106139, 7106140 via cif-deposit CGI script.	7106139.cif