Information card for entry 7037408

Structure parameters

• Formula: C36 Br6 I2 N12 Zn3
• Calculated formula: C36 Br6 I2 N12 Zn3
• Title of publication: Br2 induced oxidative pore modification of a porous coordination network.
• Authors of publication: Ohtsu, Hiroyoshi; Kawano, Masaki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 45
• Journal issue: 2
• Pages of publication: 489 - 493
• a: 29.997 ± 0.001 Å
• b: 12.8596 ± 0.0006 Å
• c: 12.8188 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4944.8 ± 0.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.02119
• RFsqd: 0.02121
• Residual factor R(I) for significantly intense reflections: 0.03732
• Goodness-of-fit parameter for all reflections: 0.3111
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No