Information card for entry 7031231

Structure parameters

• Formula: C61 H63 Cl2 Ir Mo P4
• Calculated formula: C61 H63 Cl2 Ir Mo P4
• SMILES: [Ir]1234(Cl)(Cl)([P](CC[P@@]5([MoH]6789%10([P](CC[P@@]6(c6ccccc56)c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]7[cH]8[cH]9[cH]%105)c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.[Ir]1234(Cl)(Cl)([P](CC[P@]5([MoH]6789%10([P](CC[P@]6(c6ccccc56)c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]7[cH]8[cH]9[cH]%105)c5ccccc5)(c5ccccc5)c5ccccc5)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: A molybdenum complex bearing a tetraphosphine ligand as a precursor for heterobimetallic complexes.
• Authors of publication: Yasuda, Ryoga; Iwasa, Kentaro; Niikura, Fumiya; Seino, Hidetake; Mizobe, Yasushi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 24
• Pages of publication: 9344 - 9355
• a: 16.1023 ± 0.0005 Å
• b: 19.8797 ± 0.0005 Å
• c: 17.3276 ± 0.0005 Å
• α: 90°
• β: 104.959 ± 0.0005°
• γ: 90°
• Cell volume: 5358.8 ± 0.3 ų
• Cell temperature: 113 K
• Ambient diffraction temperature: 113 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.1034
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No