Crystallography Open Database

Information card for entry 7007704

Preview

Coordinates	7007704.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 Cu2 F6 N8 O12 S2
Calculated formula	C36 H48 Cu2 F6 N8 O12 S2
Title of publication	Hydroquinone-bridged dinuclear Cu(II) complexes and single-crystalline Cu(II) coordination polymers.
Authors of publication	Kretz, Tonia; Bats, Jan W.; Losi, Serena; Wolf, Bernd; Lerner, Hans-Wolfram; Lang, Michael; Zanello, Piero; Wagner, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2006
Journal issue	41
Pages of publication	4914 - 4921
a	8.0083 ± 0.0012 Å
b	12.3677 ± 0.0014 Å
c	13.1673 ± 0.0019 Å
α	63.661 ± 0.014°
β	88.82 ± 0.013°
γ	77.488 ± 0.011°
Cell volume	1136.7 ± 0.3 Å³
Cell temperature	155 ± 2 K
Ambient diffraction temperature	155 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0699
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.079
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.084
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
179781 (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 7/00/77.	7007704.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7007704.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7007704.cif
1504	2010-09-08	cif/7/ Adding data extracted from RSC 2005 and 2006 year publications.	7007704.cif