Information card for entry 4346781

Structure parameters

• Formula: C24 H31 Cl N7 P
• Calculated formula: C24 H31 Cl N7 P
• SMILES: P123[N+](CCN3Cc3ncccc3)(CCN1Cc1ccccn1)CCN2Cc1ncccc1.[Cl-]
• Title of publication: Flexibility is Key: Synthesis of a Tripyridylamine (TPA) Congener with a Phosphorus Apical Donor and Coordination to Cobalt(II).
• Authors of publication: Thammavongsy, Zachary; Khosrowabadi Kotyk, Juliet F.; Tsay, Charlene; Yang, Jenny Y.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11505 - 11510
• a: 26.255 ± 0.0013 Å
• b: 38.811 ± 0.003 Å
• c: 9.1778 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9352 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.1069
• Goodness-of-fit parameter for all reflections included in the refinement: 0.841
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No