Information card for entry 4332397

Structure parameters

• Formula: C12 H28 Cl2 Mn N6 O2 P2
• Calculated formula: C12 H28 Cl2 Mn N6 O2 P2
• Title of publication: Manganese Complexes of 1,3,5-Triaza-7-phosphaadamantane (PTA): The First Nitrogen-Bound Transition-Metal Complex of PTA
• Authors of publication: Frost, Brian J.; Bautista, Carolyn M.; Huang, Rongcai; Shearer, Jason
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 3481 - 3483
• a: 7.3338 ± 0.0009 Å
• b: 6.3291 ± 0.0008 Å
• c: 20.95 ± 0.003 Å
• α: 90°
• β: 96.703 ± 0.002°
• γ: 90°
• Cell volume: 965.8 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.045
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No