Information card for entry 7015098

Structure parameters

• Formula: C54 H82 N20 O10 Pt S2
• Calculated formula: C54 H82 N20 O10 Pt S2
• SMILES: [N]1([Pt]2(SC(=N1)N)[N](N=C(N)S2)=CCn1c2c(cc(C)c(C)c2)nc2C(=O)NC(=O)N=c12)=CCn1c2c(cc(C)c(C)c2)nc2C(=O)NC(=O)N=c12.N(C(=O)C)(C)C.N(C(=O)C)(C)C.O=C(C)N(C)C.N(C(=O)C)(C)C.N(C(=O)C)(C)C.O=C(C)N(C)C
• Title of publication: Synthesis, structure and photophysical properties of a flavin-based platinum(II) complex.
• Authors of publication: Kobayashi, Atsushi; Ohbayashi, Korin; Aoki, Rie; Chang, Ho-Chol; Kato, Masako
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 14
• Pages of publication: 3484 - 3489
• a: 10.022 ± 0.003 Å
• b: 12.041 ± 0.004 Å
• c: 15.252 ± 0.004 Å
• α: 66.845 ± 0.014°
• β: 74.01 ± 0.016°
• γ: 70.156 ± 0.013°
• Cell volume: 1570.2 ± 0.8 ų
• Cell temperature: 150.1 K
• Ambient diffraction temperature: 150.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No