Information card for entry 4347296

Structure parameters

• Formula: C8 H14 N4 O2 Pt
• Calculated formula: C8 H14 N4 O2 Pt
• SMILES: [Pt]1([NH2][C@H]2[C@H]([NH2]1)CCCC2)(C#N)C#N.O.O
• Title of publication: Neutral-Type One-Dimensional Mixed-Valence Halogen-Bridged Platinum Chain Complexes with Large Charge-Transfer Band Gaps.
• Authors of publication: Otake, Ken-ichi; Otsubo, Kazuya; Sugimoto, Kunihisa; Fujiwara, Akihiko; Kitagawa, Hiroshi
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 5
• Pages of publication: 2620 - 2626
• a: 6.871 ± 0.0014 Å
• b: 13.002 ± 0.003 Å
• c: 13.702 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1224.1 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0165
• Residual factor for significantly intense reflections: 0.0151
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No