Information card for entry 7200387

Structure parameters

• Common name: MnPhenCl
• Chemical name: MnPhenCl
• Formula: C29 H23 Cl Mn N7 O2.5
• Calculated formula: C29 H22 Cl Mn N7 O2.5
• Title of publication: Destabilisation of a dual-synthon hydrogen bonding motif by packing effects and competing hydrogen bond donors
• Authors of publication: Turner, David R.; Pek, Sze Nee; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 1
• Pages of publication: 87
• a: 10.5476 ± 0.0007 Å
• b: 11.586 ± 0.0007 Å
• c: 12.2153 ± 0.0007 Å
• α: 88.998 ± 0.003°
• β: 67.186 ± 0.002°
• γ: 84.951 ± 0.003°
• Cell volume: 1370.42 ± 0.15 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0995
• Weighted residual factors for all reflections included in the refinement: 0.1089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No