Information card for entry 7239856

Structure parameters

• Formula: C44 H36 Fe N14 O0 Se2
• Calculated formula: C44 H36 Fe N14 Se2
• Title of publication: Two-dimensional square-grid iron(ii) coordination polymers showing anion-dependent spin crossover behavior
• Authors of publication: Shin, Jong Won; Jeong, Ah Rim; Jeong, Jong Hwa; Zenno, Hikaru; Hayami, Shinya; Min, Kil Sik
• Journal of publication: RSC Advances
• Year of publication: 2020
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 5040 - 5049
• a: 18.847 ± 0.004 Å
• b: 14.005 ± 0.003 Å
• c: 19.343 ± 0.004 Å
• α: 90°
• β: 98.17 ± 0.03°
• γ: 90°
• Cell volume: 5053.8 ± 1.9 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1401
• Residual factor for significantly intense reflections: 0.1113
• Weighted residual factors for significantly intense reflections: 0.3629
• Weighted residual factors for all reflections included in the refinement: 0.3839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.368
• Diffraction radiation wavelength: 0.75 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No