Information card for entry 8107220

Structure parameters

• Chemical name: <b>[catena-(bis(isothiocyano)-bis(μ~2~-(E)-N'-(pyridin-4-ylmethylene)\ isonicotinohydrazide))-iron(II)]-methanol(1/2)-(1,4-dioxane)(1/2)</b>
• Formula: C36 H44 Fe N10 O8 S2
• Calculated formula: C36 H44 Fe N10 O8 S2
• Title of publication: Crystal structure of poly[(bis(isothiocyano)-bis(μ 2-(E)-N′-(pyridin-4-ylmethylene)isonicotinohydrazide))iron(II) – methanol – 1,4-dioxane (1/2/2), C36H44FeN10O8S2
• Authors of publication: Cui, Hong-Meng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 5
• Pages of publication: 801 - 803
• a: 8.7712 ± 0.0005 Å
• b: 24.6087 ± 0.0012 Å
• c: 9.6083 ± 0.0004 Å
• α: 90°
• β: 96.952 ± 0.005°
• γ: 90°
• Cell volume: 2058.68 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 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: 0.1031
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No