Information card for entry 7000163

Structure parameters

• Formula: C21 H30 Cl2 Mn N10 O8
• Calculated formula: C21 H30 Cl2 Mn N10 O8
• SMILES: [Mn]123456[N](CCC[N]1=Cc1[n]2c[nH]c1)(CCC[N]3=Cc1[n]4c[nH]c1)CCC[N]5=Cc1[n]6c[nH]c1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Synthesis and characterization of seven-coordinate tripodal imidazole complexes of iron(II) and manganese(II).
• Authors of publication: Brewer, Cynthia; Brewer, Greg; Butcher, Ray J.; Carpenter, Everett E.; Cuenca, Luciann; Schmiedekamp, Ann M.; Viragh, Carol
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 22
• Pages of publication: 3617 - 3619
• a: 16.511 ± 0.013 Å
• b: 9.737 ± 0.006 Å
• c: 17.223 ± 0.012 Å
• α: 90°
• β: 90.83 ± 0.03°
• γ: 90°
• Cell volume: 2769 ± 3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No