Information card for entry 7045166

Structure parameters

• Formula: C12 H20 N4 O11 P2 Pt
• Calculated formula: C12 H10 N4 O11 P2 Pt
• SMILES: [Pt]1([n]2c(c3[n]1ccc(P(=O)(O)O)c3)cc(P(=O)(O)O)cc2)(C#N)C#N.O.O.O.O.O
• 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: 6.6588 ± 0.0014 Å
• b: 11.753 ± 0.002 Å
• c: 13.471 ± 0.003 Å
• α: 77.029 ± 0.009°
• β: 81.16 ± 0.011°
• γ: 78.25 ± 0.01°
• Cell volume: 999.4 ± 0.4 ų
• Cell temperature: 83 K
• Ambient diffraction temperature: 83 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 all reflections: 0.0327
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.253
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No