Information card for entry 7031705

Structure parameters

• Formula: C24 H36 B2 F8 Fe0.67 N18 Zn0.33
• Calculated formula: C24 H36 B2 F8 Fe0.6702 N18 Zn0.33
• Title of publication: Light-induced spin-state switching in the mixed crystal series of the 2D coordination network {[Zn1-xFex(bbtr)3](BF4)2}∞: optical spectroscopy and cooperative effects.
• Authors of publication: Chakraborty, Pradip; Enachescu, Cristian; Humair, Arnaud; Egger, Leo; Delgado, Teresa; Tissot, Antoine; Guénée, Laure; Besnard, Céline; Bronisz, Robert; Hauser, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 47
• Pages of publication: 17786 - 17796
• a: 11.4601 ± 0.0016 Å
• b: 11.4601 ± 0.0016 Å
• c: 7.602 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 864.6 ± 0.4 ų
• Cell temperature: 10 ± 2 K
• Ambient diffraction temperature: 10.15 K
• Number of distinct elements: 7
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.077
• Residual factor for significantly intense reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2033
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.69412 Å
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No