Information card for entry 7013652

Structure parameters

• Formula: C39 H37 N2 Ni P
• Calculated formula: C39 H37 N2 Ni P
• SMILES: [Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)(n2c(ccc2)C(=[N]1c1c(cc(cc1C)C)C)C)c1ccccc1
• Title of publication: Synthesis of allyl- and aryl-iminopyrrolyl complexes of nickel
• Authors of publication: Bellabarba, Ronan M.; Gomes, Pedro T.; Pascu, Sofia I.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4431 - 4436
• a: 11.7076 ± 0.0002 Å
• b: 13.0259 ± 0.0002 Å
• c: 21.3494 ± 0.0003 Å
• α: 90°
• β: 98.176 ± 0.0012°
• γ: 90°
• Cell volume: 3222.73 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.0787
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for all reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1381
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No