Information card for entry 7017759

Structure parameters

• Formula: C28 H24 Cl Fe N6 O6
• Calculated formula: C28 H24 Cl Fe N6 O6
• Title of publication: Coordination versatility of tridentate pyridyl aroylhydrazones towards iron: tracking down the elusive aroylhydrazono-based ferric spin-crossover molecular materials.
• Authors of publication: Shongwe, Musa S.; Al-Rahbi, Sumaiya H; Al-Azani, Mariam A; Al-Muharbi, Abdulaziz A; Al-Mjeni, Faizah; Matoga, Dariusz; Gismelseed, Abbasher; Al-Omari, Imaddin A; Yousif, Ali; Adams, Harry; Morris, Michael J.; Mikuriya, Masahiro
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2500 - 2514
• a: 11.6635 ± 0.0004 Å
• b: 14.7148 ± 0.0005 Å
• c: 17.9725 ± 0.0009 Å
• α: 71.402 ± 0.001°
• β: 88.945 ± 0.002°
• γ: 87.468 ± 0.001°
• Cell volume: 2920.6 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1417
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2702
• Weighted residual factors for all reflections included in the refinement: 0.3022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No