Information card for entry 7111451

Structure parameters

• Formula: C13 H21 I2 Mo N2
• Calculated formula: C13 H21 I2 Mo N2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Mo]12345(I)(I)[N](=CC=[N]1C(C)C)C(C)C
• Title of publication: Al(OPri)3-catalysed halogen exchange processes of relevance to atom transfer radical polymerization: the effect depends on the metal electronic structure
• Authors of publication: Stoffelbach, Fran�ois; Poli, Rinaldo
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 23
• Pages of publication: 2666 - 2667
• a: 12.4552 ± 0.0003 Å
• b: 17.2336 ± 0.0006 Å
• c: 7.7943 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1673.03 ± 0.08 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0456
• Weighted residual factors for all reflections included in the refinement: 0.0478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No