Crystallography Open Database

Information card for entry 7026156

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Structure parameters

Formula	C33 H23 Cu F10 N4
Calculated formula	C33 H23 Cu F10 N4
SMILES	[Cu]12(N(C(=CC(=[N]1Cc1c(F)c(F)c(F)c(F)c1F)C)C)Cc1c(F)c(F)c(F)c(F)c1F)[n]1c(ccc3ccc4ccc([n]2c4c13)C)C
Title of publication	Intramolecular pi-stacking in copper(I) diketiminate phenanthroline complexes.
Authors of publication	Oguadinma, Paul O.; Rodrigue-Witchel, Alexandre; Reber, Christian; Schaper, Frank
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	37
Pages of publication	8759 - 8768
a	18.4398 ± 0.0003 Å
b	17.4848 ± 0.0003 Å
c	8.9597 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2888.75 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0337
Residual factor for significantly intense reflections	0.0314
Weighted residual factors for significantly intense reflections	0.0823
Weighted residual factors for all reflections included in the refinement	0.0841
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301848 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/02/ Each referenced PubChem compound corresponds to the full crystal structure.	7026156.cif
179967	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/61.	7026156.cif
93420	2014-01-13	cif/ Adding structures of 7026148, 7026149, 7026150, 7026151, 7026152, 7026153, 7026154, 7026155, 7026156 via cif-deposit CGI script.	7026156.cif