Information card for entry 7035938

Structure parameters

• Common name: phen(N-o-Xyl)2
• Formula: C28 H24 N4
• Calculated formula: C28 H24 N4
• SMILES: N(c1c(cccc1C)C)=C1C(=Nc2c(cccc2C)C)c2c(nccc2)c2ncccc12
• Title of publication: Novel phenanthroline-diaryldiazadiene ligands with heteroditopic coordination spheres.
• Authors of publication: Sorsche, Dieter; Pehlken, Christian; Baur, Christian; Rommel, Sebastian; Kastner, Katharina; Streb, Carsten; Rau, Sven
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 35
• Pages of publication: 15404 - 15407
• a: 15.6277 ± 0.0002 Å
• b: 7.3164 ± 0.0001 Å
• c: 20.3483 ± 0.0003 Å
• α: 90°
• β: 102.666 ± 0.001°
• γ: 90°
• Cell volume: 2269.98 ± 0.05 ų
• Cell temperature: 180 ± 0.14 K
• Ambient diffraction temperature: 180 ± 0.14 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: 0.0431
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0998
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No