Information card for entry 4303000

Structure parameters

• Formula: C24 H72 As4 In4 Mn4 N16 S16
• Calculated formula: C24 H72 As4 In4 Mn4 N16 S16
• SMILES: C1C[NH2][Mn]23([N]1(CC[NH2]2)CC[NH2]3)S[As]1S[In]23(S[As]4S[In]5([S]24)(S3)[S]([Mn]234[N](CC[NH2]4)(CC[NH2]3)CC[NH2]2)[In]23(S[As]4S[In]6([S]24)(S3)S[As](S[Mn]234[N](CC[NH2]3)(CC[NH2]2)CC[NH2]4)S6)[S]5[Mn]234[N](CC[NH2]4)(CC[NH2]3)CC[NH2]2)S1
• Title of publication: Synthesis and Characterization of One-Dimensional and Molecular M(tren)InAsS4 (M = Mn, Co, and Zn) Compounds with a Noncondensed AsS33- Unit
• Authors of publication: Zhenqing Wang; Hongjie Zhang; Cheng Wang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8180 - 8185
• a: 19.3432 ± 0.0006 Å
• b: 8.9228 ± 0.0003 Å
• c: 23.2771 ± 0.0006 Å
• α: 90°
• β: 126.911 ± 0.002°
• γ: 90°
• Cell volume: 3212.29 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.0259
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0519
• Weighted residual factors for all reflections included in the refinement: 0.063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No