Crystallography Open Database

Information card for entry 7003199

Preview

Coordinates	7003199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H13 Cu F6 N5 O11 S2
Calculated formula	C7 H11 Cu F6 N5 O11 S2
Title of publication	Guanine-containing copper(ii) complexes: synthesis, X-ray structures and magnetic properties
Authors of publication	Mastropietro, Teresa F.; Armentano, Donatella; Grisolia, Ettore; Zanchini, Claudia; Lloret, Francesc; Julve, Miguel; De Munno, Giovanni
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	4
Pages of publication	514 - 520
a	8.3167 ± 0.0014 Å
b	18.549 ± 0.003 Å
c	12.895 ± 0.002 Å
α	90°
β	93.107 ± 0.004°
γ	90°
Cell volume	1986.3 ± 0.6 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	7
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	0.0674
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1592
Weighted residual factors for all reflections included in the refinement	0.169
Goodness-of-fit parameter for all reflections included in the refinement	1.314
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
179735 (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 7/00/31.	7003199.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003199.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003199.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.	7003199.cif