Information card for entry 7018644

Structure parameters

• Formula: C39 H47 B Cl Fe N7 O3
• Calculated formula: C39 H47 B Cl Fe N7 O3
• Title of publication: Synthesis, structure, and physical properties for a series of trigonal bipyramidal M(II)-Cl complexes with intramolecular hydrogen bonds.
• Authors of publication: Sickerman, Nathaniel S.; Park, Young Jun; Ng, Gary K.-Y.; Bates, Jefferson E.; Hilkert, Mark; Ziller, Joseph W.; Furche, Filipp; Borovik, A. S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 15
• Pages of publication: 4358 - 4364
• a: 11.2339 ± 0.0005 Å
• b: 12.5888 ± 0.0005 Å
• c: 14.1351 ± 0.0006 Å
• α: 89.8857 ± 0.0005°
• β: 75.3156 ± 0.0005°
• γ: 72.3284 ± 0.0005°
• Cell volume: 1836.36 ± 0.13 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0342
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No