Information card for entry 7702183

Structure parameters

• Formula: C21.75 H21.75 Mn0.75 N2.25 O0.75
• Calculated formula: C21.75 H21.75 Mn0.75 N2.25 O0.75
• Title of publication: Structural diversity in pyridine and polypyridine adducts of ring slipped manganocene: correlating ligand steric bulk with quantified deviation from ideal hapticity.
• Authors of publication: Cannella, Anthony F.; Dey, Suman Kr; MacMillan, Samantha N.; Lacy, David C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 15
• Pages of publication: 5171 - 5180
• a: 14.905 ± 0.002 Å
• b: 16.42 ± 0.003 Å
• c: 16.608 ± 0.003 Å
• α: 94.364 ± 0.004°
• β: 91.606 ± 0.004°
• γ: 115.268 ± 0.003°
• Cell volume: 3656.8 ± 1.1 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0822
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1312
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No