Information card for entry 7021544

Structure parameters

• Formula: C30 H21 Mo N O4 P2
• Calculated formula: C30 H21 Mo N O4 P2
• SMILES: [Mo]1([P]2=C(Nc3c2cc(cc3)C)c2c([P]1(c1ccccc1)c1ccccc1)cccc2)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: π-Excess σ(2)P ligands: synthesis of biaryl-type 1,3-benzazaphosphole hybrid ligands and formation of P^P'-M(CO)4 chelate complexes.
• Authors of publication: Niaz, Basit; Ghalib, Mohammed; Jones, Peter G.; Heinicke, Joachim W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 26
• Pages of publication: 9523 - 9532
• a: 15.5796 ± 0.0004 Å
• b: 9.4484 ± 0.0002 Å
• c: 19.0086 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2798.11 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0242
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.0521
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No