Information card for entry 4349078

Structure parameters

• Common name: JA-MA-60
• Formula: C40 H80 F6 Ir2 N4 P5
• Calculated formula: C40 H80 F6 Ir2 N4 P5
• SMILES: C1=C[P](C(C)(C)C)(C(C)(C)C)[Ir]2(N1C=C[P]2(C(C)(C)C)C(C)(C)C)[N]#[N][Ir]12N(C=C[P]1(C(C)(C)C)C(C)(C)C)C=C[P]2(C(C)(C)C)C(C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Coupling of terminal iridium nitrido complexes
• Authors of publication: Abbenseth, Josh; Finger, Markus; Würtele, Christian; Kasanmascheff, Müge; Schneider, Sven
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2016
• Journal volume: 3
• Journal issue: 4
• Pages of publication: 469
• a: 13.1762 ± 0.0005 Å
• b: 13.3606 ± 0.0005 Å
• c: 28.333 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4987.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0431
• Weighted residual factors for all reflections included in the refinement: 0.0454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No