Crystallography Open Database

Information card for entry 4339723

Preview

Coordinates	4339723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H31 Cl2 Cu N5 O8
Calculated formula	C24 H28 Cl2 Cu N5 O8
Title of publication	Hydrogen and copper ion-induced molecular reorganizations in scorpionand-like ligands. A potentiometric, mechanistic, and solid-state study.
Authors of publication	Verdejo, Begoña; Ferrer, Armando; Blasco, Salvador; Castillo, Carmen Esther; González, Jorge; Latorre, Julio; Máñez, M Angeles; Basallote, Manuel García; Soriano, Conxa; García-España, Enrique
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	14
Pages of publication	5707 - 5719
a	17.436 ± 0.0005 Å
b	10.489 ± 0.0008 Å
c	15.972 ± 0.001 Å
α	90 ± 0.0017°
β	105.551 ± 0.0018°
γ	90 ± 0.003°
Cell volume	2814.1 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.1437
Residual factor for significantly intense reflections	0.1097
Weighted residual factors for significantly intense reflections	0.2967
Weighted residual factors for all reflections included in the refinement	0.3119
Goodness-of-fit parameter for all reflections included in the refinement	2.116
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
179500 (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 4/33/97.	4339723.cif
117503	2014-06-15	cif/ Adding structures of 4339723 via cif-deposit CGI script.	4339723.cif