Information card for entry 7038141

Structure parameters

• Formula: C47.54 H96.77 I5 N2.57 Nd3 O11.44 S4
• Calculated formula: C47.538 H96.762 I5 N2.562 Nd3 O11.438 S4
• Title of publication: Ln3I5(S2N2)(S2)(THF)10- a new type of molecular compounds.
• Authors of publication: Fagin, A. A.; Fukin, G. K.; Cherkasov, A. V.; Shestakov, A. F.; Pushkarev, A. P.; Balashova, T. V.; Maleev, A. A.; Bochkarev, M. N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4558 - 4562
• a: 12.5369 ± 0.0002 Å
• b: 12.7379 ± 0.0002 Å
• c: 43.8743 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7006.45 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0558
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.188
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No