Information card for entry 7239855

Structure parameters

• Formula: C44 H36 Fe N14 O0 S2
• Calculated formula: C44 H36 Fe N14 S2
• 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: 9.4607 ± 0.0005 Å
• b: 14.1404 ± 0.0008 Å
• c: 19.0776 ± 0.0011 Å
• α: 90°
• β: 99.517 ± 0.001°
• γ: 90°
• Cell volume: 2517 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1337
• Residual factor for significantly intense reflections: 0.0741
• Weighted residual factors for significantly intense reflections: 0.1874
• Weighted residual factors for all reflections included in the refinement: 0.2275
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No