Information card for entry 4332398

Structure parameters

• Formula: C12 H28 Br2 Mn N6 O2 P2
• Calculated formula: C12 H28 Br2 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: 7.3749 ± 0.0004 Å
• b: 6.5706 ± 0.0003 Å
• c: 20.7553 ± 0.0011 Å
• α: 90°
• β: 96.817 ± 0.001°
• γ: 90°
• Cell volume: 998.64 ± 0.09 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: 0.0637
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0788
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No