Information card for entry 4332486

Structure parameters

• Formula: C24 H40 Mo2 N12 O
• Calculated formula: C24 H40 Mo2 N12 O
• SMILES: [Mo]1234[Mo](N5CCN6C5=[N]3CC6)([N]3=C5N4CCN5CC3)(N3C4=[N]2CCN4CC3)([N]2=C3N1CCN3CC2)[O]1CCCC1
• Title of publication: Homologues of the Easily Ionized Compound Mo2(hpp)4Containing Smaller Bicyclic Guanidinates
• Authors of publication: Cotton, F. Albert; Murillo, Carlos A.; Wang, Xiaoping; Wilkinson, Chad C.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 14
• Pages of publication: 5493 - 5500
• a: 10.604 ± 0.002 Å
• b: 24.081 ± 0.005 Å
• c: 11.473 ± 0.002 Å
• α: 90°
• β: 109.097 ± 0.003°
• γ: 90°
• Cell volume: 2768.5 ± 0.9 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0375
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No