Crystallography Open Database

Information card for entry 7022288

Preview

Coordinates	7022288.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 Co N4 O9
Calculated formula	C22 H30 Co N4 O9
Title of publication	Preorganizing binding side-arms on a cyclen scaffold: the choice of a suitable metal ion.
Authors of publication	Borgogelli, Elisa; Formica, Mauro; Fusi, Vieri; Giorgi, Luca; Macedi, Eleonora; Micheloni, Mauro; Paoli, Paola; Rossi, Patrizia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	8
Pages of publication	2902 - 2912
a	9.042 ± 0.002 Å
b	8.632 ± 0.001 Å
c	16.028 ± 0.003 Å
α	90°
β	98.03 ± 0.02°
γ	90°
Cell volume	1238.7 ± 0.4 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.2018
Residual factor for significantly intense reflections	0.0801
Weighted residual factors for significantly intense reflections	0.1751
Weighted residual factors for all reflections included in the refinement	0.2028
Goodness-of-fit parameter for all reflections included in the refinement	0.876
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.	7022288.cif
90034	2013-11-17	cif/ Adding structures of 7022288, 7022289, 7022290, 7022291 via cif-deposit CGI script.	7022288.cif