Crystallography Open Database

Information card for entry 2108008

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Structure parameters

Formula	C32 H22 Cu F6 N2 O4
Calculated formula	C32 H22 Cu F6 N2 O4
SMILES	[Cu]12(OC(=CC(=[O]1)c1ccccc1)C(F)(F)F)(OC(=CC(=[O]2)c1ccccc1)C(F)(F)F)([n]1ccc(cc1)/C=C/c1ccncc1)[n]1ccc(cc1)/C=C/c1cc[n](cc1)[Cu]12(OC(=CC(=[O]2)c2ccccc2)C(F)(F)F)OC(=CC(=[O]1)c1ccccc1)C(F)(F)F
Title of publication	Cu^II^ and Zn^II^ β-diketonate coordination polymers based on pyrimidin-2-amine, pyrazine and 1,2-bis(4-pyridyl)ethane
Authors of publication	Perdih, Franc
Journal of publication	Acta Crystallographica Section B
Year of publication	2016
Journal volume	72
Journal issue	6
Pages of publication	828 - 835
a	8.646 ± 0.0004 Å
b	9.6246 ± 0.0004 Å
c	9.6615 ± 0.0005 Å
α	65.711 ± 0.005°
β	78.619 ± 0.004°
γ	88.191 ± 0.004°
Cell volume	717.29 ± 0.07 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.1031
Weighted residual factors for all reflections included in the refinement	0.1132
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
188931 (current)	2016-12-06	cif/ Updating files of 2108003, 2108004, 2108005, 2108006, 2108007, 2108008 Original log message: Adding full bibliography for 2108003--2108008.cif.	2108008.cif 2108008.hkl
188017	2016-11-08	cif/ hkl/ Adding structures of 2108003, 2108004, 2108005, 2108006, 2108007, 2108008 via cif-deposit CGI script.	2108008.cif 2108008.hkl