Information card for entry 4323609

Structure parameters

• Formula: C50.67 H62.08 B2 Cl2 Mo2 N14 O8.71
• Calculated formula: C50.67 H56.67 B2 Cl2.01 Mo2 N14 O8.705
• Title of publication: Hydrogen Bonding of CHCl3 to Coordinated Nitric Oxide in a Binuclear Metallomacrocycle and the Crystal Structures of anti-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.2CHCl3.CH2Cl2, syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.0.67CHCl3.2.7H2O, and syn-[Mo(NO){HB(3,5-Me2C3HN2)3}(2,7-O2C10H6)]2.3(CH3)2CO
• Authors of publication: Ferida S. McQuillan; Hongli Chen; Thomas A. Hamor; Christopher J. Jones; Keith Paxton
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 4458 - 4464
• a: 23.77 ± 0.007 Å
• b: 26.6 ± 0.01 Å
• c: 11.334 ± 0.004 Å
• α: 90°
• β: 99.86 ± 0.02°
• γ: 90°
• Cell volume: 7060 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0779
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections: 0.2439
• Weighted residual factors for significantly intense reflections: 0.2334
• Goodness-of-fit parameter for all reflections: 1.039
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No