Information card for entry 7045164

Structure parameters

• Formula: C12 H10 N4 O6 P2 Pt
• Calculated formula: C12 H10 N4 O6 P2 Pt
• SMILES: C(#N)[Pt]1([n]2ccc(cc2c2cc(cc[n]12)P(=O)(O)O)P(=O)(O)O)C#N
• Title of publication: Two-way vapochromism of a luminescent platinum(ii) complex with phosphonic-acid-functionalized bipyridine ligand.
• Authors of publication: Kobayashi, Atsushi; Yamamoto, Naotaka; Shigeta, Yasuhiro; Yoshida, Masaki; Kato, Masako
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 5
• Pages of publication: 1548 - 1556
• a: 8.80293 ± 0.00011 Å
• b: 10.78288 ± 0.00015 Å
• c: 17.1646 ± 0.0002 Å
• α: 90°
• β: 96.4375 ± 0.0012°
• γ: 90°
• Cell volume: 1619.01 ± 0.04 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0161
• Residual factor for significantly intense reflections: 0.0158
• Weighted residual factors for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No