Information card for entry 7702185

Structure parameters

• Formula: C24 H22 Mn N2
• Calculated formula: C24 H22 Mn N2
• 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: 18.0321 ± 0.0007 Å
• b: 23.698 ± 0.0009 Å
• c: 13.6298 ± 0.0005 Å
• α: 90°
• β: 100.457 ± 0.002°
• γ: 90°
• Cell volume: 5727.6 ± 0.4 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223.15 K
• Number of distinct elements: 4
• 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: 0.0522
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0903
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No