Information card for entry 2224151

Structure parameters

• Chemical name: Bis(1-ferrocenylmethylidene-4-phenylthiosemicarbazidato- κ^2^<i>N</i>^1^,<i>S</i>)zinc(II) monohydrate
• Formula: C36 H34 Fe2 N6 O S2 Zn
• Calculated formula: C36 H34 Fe2 N6 O S2 Zn
• Title of publication: Bis(1-ferrocenylmethylidene-4-phenylthiosemicarbazidato-κ^2^<i>N</i>^1^,<i>S</i>)zinc(II) monohydrate
• Authors of publication: Vikneswaran, M. R.; Teoh, Siang Guan; Yeap, Chin Sing; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1524 - m1525
• a: 10.45 ± 0.0005 Å
• b: 10.4892 ± 0.0005 Å
• c: 15.9377 ± 0.0007 Å
• α: 90°
• β: 104.277 ± 0.002°
• γ: 90°
• Cell volume: 1693.01 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1589
• Weighted residual factors for all reflections included in the refinement: 0.1741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes