Information card for entry 7010484

Structure parameters

• Formula: C6 H18 N9 O9 Zn1.5
• Calculated formula: C6 H18 N9 O9 Zn1.5
• Title of publication: [CN3H6]2[Zn(CO3)2], the first organically templated open-framework carbonate
• Authors of publication: Harrison, William T. A.; Phillips, Mark L. F.; Nenoff, Tina M.; MacLean, Elizabeth J.; Teat, Simon J.; Maxwell, Robert S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 5
• Pages of publication: 546
• a: 9.0931 ± 0.0007 Å
• b: 9.0931 ± 0.0007 Å
• c: 38.333 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3169.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0313
• Goodness-of-fit parameter for significantly intense reflections: 1.0943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No