Information card for entry 4323461

Structure parameters

• Common name: 1,10-octachlorophenanthroline
• Chemical name: 1,10-octachlorophenanthroline
• Formula: C12 Cl8 N2
• Calculated formula: C12 Cl8 N2
• SMILES: Clc1nc2c3nc(Cl)c(Cl)c(Cl)c3c(Cl)c(Cl)c2c(Cl)c1Cl
• Title of publication: Structural Flexibility of the Hydrogen-Free Acceptor Ligand Octachloro-1,10-phenanthroline in Its Complexes with d10 Metal Ions
• Authors of publication: Christoph Titze; Wolfgang Kaim; Stanislav Zalis
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2505 - 2510
• a: 5.639 ± 0.001 Å
• b: 24.97 ± 0.003 Å
• c: 10.466 ± 0.001 Å
• α: 90°
• β: 101.33°
• γ: 90°
• Cell volume: 1445 ± 0.3 ų
• Cell temperature: 188 K
• Ambient diffraction temperature: 188 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for all reflections: 0.1507
• Weighted residual factors for significantly intense reflections: 0.1291
• Goodness-of-fit parameter for all reflections: 1.141
• Goodness-of-fit parameter for significantly intense reflections: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No