Information card for entry 7121419

Structure parameters

• Formula: C23.75 H24 B2 Fe N8 O1.5
• Calculated formula: C23.75 H24 B2 Fe N8 O1.5
• Title of publication: Three-dimensional iron(ii) porous coordination polymer exhibiting carbon dioxide-dependent spin crossover.
• Authors of publication: Shin, Jong Won; Jeong, Ah Rim; Jeoung, Sungeun; Moon, Hoi Ri; Komatsumaru, Yuki; Hayami, Shinya; Moon, Dohyun; Min, Kil Sik
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 34
• Pages of publication: 4262 - 4265
• a: 22.012 ± 0.003 Å
• b: 22.012 ± 0.003 Å
• c: 28.983 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14043 ± 4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 120
• Hermann-Mauguin space group symbol: I -4 c 2
• Hall space group symbol: I -4 -2c
• Residual factor for all reflections: 0.0679
• Residual factor for significantly intense reflections: 0.0638
• Weighted residual factors for significantly intense reflections: 0.2201
• Weighted residual factors for all reflections included in the refinement: 0.2254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No