Information card for entry 4319301

Structure parameters

• Formula: C56.5 H75 B2 Cl Mo2 N18 O9
• Calculated formula: C56.5 H64 B2 Cl Mo2 N18 O9
• Title of publication: Syntheses of Metallomacrocycles Containing Metal Amide Linkages. The X-ray Crystal Structure of syn-[{Mo(NO)[HB(3,5- Me2C3HN2)3]}{(4-NHC6H4)2CO}]2
• Authors of publication: Helen A. Jones; Thomas A. Hamor; Christopher J. Jones; Ferida S. McQuillan; Keith Paxton; Natalie M. Rowley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1052 - 1056
• a: 17.075 ± 0.002 Å
• b: 21.067 ± 0.003 Å
• c: 21.429 ± 0.003 Å
• α: 90°
• β: 97.45 ± 0.02°
• γ: 90°
• Cell volume: 7643.3 ± 1.8 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.081
• Residual factor for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections: 0.2051
• Weighted residual factors for significantly intense reflections: 0.1926
• Goodness-of-fit parameter for all reflections: 1.137
• Goodness-of-fit parameter for significantly intense reflections: 1.174
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No