Information card for entry 4306814

Structure parameters

• Chemical name: Ph2NNH2
• Formula: C12 H12 N2
• Calculated formula: C12 H12 N2
• SMILES: NN(c1ccccc1)c1ccccc1
• Title of publication: Synthesis, Structures and Reactivity of Group 4 Hydrazido Complexes Supported by Calix[4]arene Ligands
• Authors of publication: Andrew J. Clulow; Jonathan D. Selby; Michael G. Cushion; Andrew D. Schwarz; Philip Mountford
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 12049 - 12062
• a: 9.5104 ± 0.0002 Å
• b: 11.123 ± 0.0002 Å
• c: 11.653 ± 0.0003 Å
• α: 116.193 ± 0.0011°
• β: 112.436 ± 0.0012°
• γ: 94.3481 ± 0.0016°
• Cell volume: 977.05 ± 0.04 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0753
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for all reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections included in the refinement: 0.0522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No