Information card for entry 4074371

Structure parameters

• Formula: C25 H23 N3 O2
• Calculated formula: C25 H23 N3 O2
• SMILES: [nH]1c2c(c(OC)cc(OC)c2/C=N/c2ccccc2)c(c1/C=N/c1ccccc1)C
• Title of publication: Reactive Indolyl Complexes of Group 9 Metals
• Authors of publication: Ho, Joanne Hui Hui; Black, David St Clair; Messerle, Barbara Ann; Clegg, Jack Kay; Turner, Peter
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 24
• Pages of publication: 5800
• a: 12.8861 ± 0.0014 Å
• b: 8.498 ± 0.0009 Å
• c: 19.738 ± 0.002 Å
• α: 90°
• β: 107.691 ± 0.002°
• γ: 90°
• Cell volume: 2059.2 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1253
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No