Information card for entry 4121064

Structure parameters

• Common name: PCM-18
• Formula: C34 H24 Cl2 O10 P2 Pt Zn2
• Calculated formula: C34 H24 Cl2 O10 P2 Pt Zn2
• Title of publication: Rational Design of Porous Coordination Polymers Based on Bis(phosphine)MCl2 Complexes That Exhibit High-Temperature H2 Sorption and Chemical Reactivity
• Authors of publication: Alisha M. Bohnsack; Ilich A. Ibarra; Vladimir I. Bakhmutov; Vincent M. Lynch; Simon M. Humphrey
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 16038 - 16041
• a: 24.574 ± 0.005 Å
• b: 26.507 ± 0.005 Å
• c: 15.152 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9870 ± 3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 74
• Hermann-Mauguin space group symbol: I m m a
• Hall space group symbol: -I 2b 2
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0588
• Weighted residual factors for significantly intense reflections: 0.1523
• Weighted residual factors for all reflections included in the refinement: 0.1608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.710747 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No