Information card for entry 2202628

Structure parameters

• Formula: C47 H86 Cl2 Mn2 O2
• Calculated formula: C47 H74 Cl2 Mn2 O2
• Title of publication: Di-μ-chloro-bis[(tetrahydrofuran-κ<i>O</i>)(η^5^-1,2,4-tri-<i>tert</i>-butylcyclopentadienyl)manganese(II)] pentane solvate
• Authors of publication: Jamin L. Krinsky; Matthew N. Stavis; Marc D. Walter
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: m497 - m499
• a: 10.6696 ± 0.0008 Å
• b: 10.6803 ± 0.0008 Å
• c: 12.414 ± 0.001 Å
• α: 65.563 ± 0.001°
• β: 70.336 ± 0.001°
• γ: 86.995 ± 0.001°
• Cell volume: 1206.57 ± 0.16 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: 0.0604
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.0543
• Weighted residual factors for all reflections included in the refinement: 0.0543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.663
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No