Information card for entry 7038831

Structure parameters

• Formula: C36 H24 I6 N12 P1.08 Zn3
• Calculated formula: C36 H24 I6 N12 P1.0804 Zn3
• Title of publication: Safe P4 reagent in a reusable porous coordination network.
• Authors of publication: Choi, Wanuk; Ohtsu, Hiroyoshi; Matsushita, Yoshitaka; Kawano, Masaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6357 - 6360
• a: 6.5194 ± 0.0006 Å
• b: 30.015 ± 0.003 Å
• c: 12.7207 ± 0.0011 Å
• α: 90°
• β: 94.015 ± 0.004°
• γ: 90°
• Cell volume: 2483.1 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No