Information card for entry 7031523

Structure parameters

• Formula: C64 H70 Cl4 N4 Pt
• Calculated formula: C64 H70 Cl4 N4 Pt
• SMILES: C1(N(C=CN1C1CCCCC1)C1CCCCC1)=[Pt](C#Cc1ccc(cc1)C#Cc1ccccc1)(=C1N(C=CN1C1CCCCC1)C1CCCCC1)C#Cc1ccc(cc1)C#Cc1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Photophysical properties of trans-platinum acetylide complexes featuring N-heterocyclic carbene ligands.
• Authors of publication: Winkel, Russell W.; Dubinina, Galyna G.; Abboud, Khalil A.; Schanze, Kirk S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 47
• Pages of publication: 17712 - 17720
• a: 9.0339 ± 0.0004 Å
• b: 20.7765 ± 0.0009 Å
• c: 15.467 ± 0.0006 Å
• α: 90°
• β: 101.326 ± 0.002°
• γ: 90°
• Cell volume: 2846.5 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0261
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No