Information card for entry 7031524

Structure parameters

• Formula: C94 H104 Cl4 N6 Pt
• Calculated formula: C94 H104 Cl4 N6 Pt
• 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: 9.9529 ± 0.0002 Å
• b: 13.1998 ± 0.0002 Å
• c: 15.8601 ± 0.0003 Å
• α: 105.207 ± 0.001°
• β: 93.171 ± 0.001°
• γ: 93.064 ± 0.001°
• Cell volume: 2002.6 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0256
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0636
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No