Information card for entry 4302370

Structure parameters

• Formula: C40 H51 As3 Fe N9 O7 S6
• Calculated formula: C40 H51 As3 Fe N9 O7 S6
• SMILES: [Fe]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.[As]1(S[As](S[As](S1)[S-])[S-])[S-].O.O.O.O.O.O.O.NCCNCCN
• Title of publication: Hydrothermal Syntheses and Characterizations of Thioarsenates [Fe(phen)~3~][As~3~S~6~]·dien·7H~2~O and [Mn~2~(phen)~4~(As~2~S~5~)]·phen·2H~2~O: A New Coordination Mode of the As~2~S~5~^4-^ Anion
• Authors of publication: Pan, Yingli; Jin, Qinyan; Chen, Jiangfang; Zhang, Yong; Jia, Dingxian
• Journal of publication: Inorganic chemistry
• Year of publication: 2009
• Journal volume: 48
• Journal issue: 12
• Pages of publication: 5412 - 5417
• a: 11.947 ± 0.002 Å
• b: 13.444 ± 0.003 Å
• c: 16.825 ± 0.003 Å
• α: 104.361 ± 0.003°
• β: 106.783 ± 0.004°
• γ: 93.384 ± 0.004°
• Cell volume: 2481.4 ± 0.8 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1161
• Residual factor for significantly intense reflections: 0.0768
• Weighted residual factors for significantly intense reflections: 0.1742
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4338564
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No