Information card for entry 7047553

Structure parameters

• Formula: C17 H23 Mn N5 O3
• Calculated formula: C17 H23 Mn N5 O3
• Title of publication: Seven-coordinated iron(ii) spin-crossover molecules: some learning from iron substitution in [Fe_xMn_1-x(L₂₂₂N₃O₂)(CN)₂]·H₂O solid solutions.
• Authors of publication: Wang, Hongfeng; Baldé, Chérif; Grosjean, Arnaud; Desplanches, Cédric; Guionneau, Philippe; Chastanet, Guillaume
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 41
• Pages of publication: 14741 - 14750
• a: 17.093 ± 0.003 Å
• b: 11.99 ± 0.002 Å
• c: 10.33 ± 0.002 Å
• α: 90°
• β: 116.59 ± 0.03°
• γ: 90°
• Cell volume: 1893.2 ± 0.8 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0805
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No