Information card for entry 4319431

Structure parameters

• Formula: C12 H26 Mo N4 O6
• Calculated formula: C12 H26 Mo N4 O6
• Title of publication: N-Monofunctionalized 1,4,7-Triazacyclononane Macrocycles as Building Blocks in Inorganic Crystal Engineering
• Authors of publication: Patrick C. McGowan; Thomas J. Podesta; Mark Thornton-Pett
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 1445 - 1453
• a: 7.0029 ± 0.0002 Å
• b: 14.9415 ± 0.0006 Å
• c: 17.2168 ± 0.0004 Å
• α: 72.396 ± 0.0018°
• β: 82.723 ± 0.002°
• γ: 89.19 ± 0.002°
• Cell volume: 1702.71 ± 0.09 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0526
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1119
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No