Information card for entry 7002739

Structure parameters

• Formula: C11 H34 Cl4 Cr N5 O15
• Calculated formula: C11 H34 Cl4 Cr N5 O15
• Title of publication: Mechanistic aspects of the chemistry of mononuclear CrIII complexes with pendant-arm macrocyclic ligands and formation of discrete CrIII/FeII and CrIII/FeII/CoIII cyano-bridged mixed valence compounds
• Authors of publication: Basallote, Manuel G.; Bernhardt, Paul V.; Calvet, Teresa; Castillo, Carmen E.; Font-Bardia, Mercè; Martínez, Manuel; Rodríguez, Carlos
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 43
• Pages of publication: 9567 - 9577
• a: 15.92 ± 0.01 Å
• b: 13.841 ± 0.002 Å
• c: 11.964 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2636.3 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0778
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No