Crystallography Open Database

Information card for entry 7024983

Preview

Coordinates	7024983.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H22 Cu F12 N8 O P2
Calculated formula	C28 H22 Cu F12 N8 O P2
SMILES	c1cccc2c3ccc(n[n]3[Cu]3([n]12)([OH2])[n]1ccccc1c1ccc(n[n]31)c1ncccc1)c1ncccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
Title of publication	Half a grid is better than no grid: competition between 2,2':6',2''-terpyridine and 3,6-di(pyrid-2-yl)pyridazine for copper(II).
Authors of publication	Constable, Edwin C.; Decurtins, Silvio; Housecroft, Catherine E.; Keene, Tony D.; Palivan, Cornelia G.; Price, Jason R.; Zampese, Jennifer A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	9
Pages of publication	2337 - 2343
a	21.312 ± 0.004 Å
b	8.2908 ± 0.0017 Å
c	8.9319 ± 0.0018 Å
α	90°
β	93.43 ± 0.03°
γ	90°
Cell volume	1575.4 ± 0.5 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0285
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0751
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7024983.cif
92777	2014-01-12	cif/ Adding structures of 7024982, 7024983 via cif-deposit CGI script.	7024983.cif