Information card for entry 8103167

Structure parameters

• Formula: C21 H24 Mn N4 O4
• Calculated formula: C21 H24 Mn N4 O4
• Title of publication: Crystal structure of catena-{[?3-5-methylisophthalato]-[?2-1,6-bis(imidazol-1-yl)-hexane]manganese(II)}, Mn(C9H6O4)(C12H18N4)
• Authors of publication: Min-Le Han; Chun-Cai Pan; Zu-Qiang Zhang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2011
• Journal volume: 226
• Journal issue: 3
• Pages of publication: 405
• a: 8.3393 ± 0.0009 Å
• b: 10.2964 ± 0.0012 Å
• c: 12.0257 ± 0.0014 Å
• α: 80.738 ± 0.001°
• β: 84.484 ± 0.001°
• γ: 83.436 ± 0.001°
• Cell volume: 1009.3 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0387
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0824
• Weighted residual factors for all reflections included in the refinement: 0.0866
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No