Crystallography Open Database

Information card for entry 7006440

Preview

Coordinates	7006440.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H38 N10 O8 Zn
Calculated formula	C20 H38 N10 O8 Zn
Title of publication	Encapsulation of metal cations and anions within the cavity of bis(1,4,7-triazacyclononane) receptors.
Authors of publication	Bazzicalupi, Carla; Bencini, Andrea; Faggi, Enrico; Garau, Alessandra; Giorgi, Claudia; Lippolis, Vito; Perra, Alessandro; Valtancoli, Barbara
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	11
Pages of publication	1409 - 1418
a	9.62 ± 0.006 Å
b	10.998 ± 0.008 Å
c	13.319 ± 0.007 Å
α	90°
β	108.71 ± 0.05°
γ	90°
Cell volume	1334.7 ± 1.5 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.105
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.1521
Weighted residual factors for all reflections included in the refinement	0.1759
Goodness-of-fit parameter for all reflections included in the refinement	0.915
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179768 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/64.	7006440.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7006440.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7006440.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7006440.cif