Crystallography Open Database

Information card for entry 7003587

Preview

Coordinates	7003587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H19 Cu2 N18 O1.5
Calculated formula	C40 H16 Cu2 N18 O1.5
Title of publication	Synthesis, crystal structures and magnetic properties of tricyanomethanide-containing copper(II) complexes
Authors of publication	Yuste, C.; Armentano, D.; Marino, N.; Cañadillas-Delgado, L.; Delgado, F. S.; Ruiz-Pérez, C.; Rillema, D. P.; Lloret, F.; Julve, M.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	12
Pages of publication	1583 - 1596
a	9.8741 ± 0.0006 Å
b	12.8989 ± 0.0007 Å
c	16.0258 ± 0.0008 Å
α	80.965 ± 0.006°
β	88.684 ± 0.006°
γ	89.289 ± 0.004°
Cell volume	2015.2 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1248
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.1073
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
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.	7003587.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003587.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003587.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003587.cif