Information card for entry 7121418

Structure parameters

• Formula: C23 H32 B2 Fe N8 O4
• Calculated formula: C23 H24 B2 Fe N8 O4
• 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: 21.432 ± 0.003 Å
• b: 21.432 ± 0.003 Å
• c: 28.249 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12976 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0948
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1832
• Weighted residual factors for all reflections included in the refinement: 0.2013
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.65 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No