Crystallography Open Database

Information card for entry 4308182

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Coordinates	Coordinates are not available: file is not found.
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H42 Cl4 Cu N8 O19
Calculated formula	C22 H42 Cl4 Cu N8 O19
SMILES	[Cu]1234[NH2]CC[N]2(CC[NH2]1)Cc1[n]3c2c(cc1)ccc1ccc([n]4c21)CN(CC[NH3+])CC[NH3+].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O
Title of publication	A New Branched Phenanthroline Derivative Ligand: Synthesis, Solution Chemistry, and Crystal Structures of Copper(II) and Zinc(II) Complexes
Authors of publication	Gianluca Ambrosi; Mauro Formica; Vieri Fusi; Luca Giorgi; Annalisa Guerri; Mauro Micheloni; Paola Paoli; Roberto Pontellini; Patrizia Rossi
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	4737 - 4748
a	9.4067 ± 0.0007 Å
b	9.694 ± 0.0006 Å
c	20.412 ± 0.001 Å
α	77.837 ± 0.005°
β	80.571 ± 0.006°
γ	85.084 ± 0.005°
Cell volume	1792.4 ± 0.2 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.073
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1062
Goodness-of-fit parameter for all reflections included in the refinement	0.904
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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