Information card for entry 4000339

Structure parameters

• Formula: C24 H58 B4 Cl2 N8 O34 P8 Zn4
• Calculated formula: C24 H58 B4 Cl2 N8 O34 P8 Zn4
• Title of publication: (C6H14N2){Zn[ZnB2P4O15(OH)2]·(C6H13N2)Cl}: A new templated zincoborophosphate
• Authors of publication: Huang, Ya-Xi; Schäfer, Gerd; Carrillo-Carbrera, Wilder; Borrmann, Horst; Cardoso Gil, Raul; Kniep, Rüdiger
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• Journal volume: 15
• Journal issue: 26
• Pages of publication: 4930 - 4935
• a: 17.0426 ± 0.0011 Å
• b: 9.3703 ± 0.0005 Å
• c: 16.1975 ± 0.0008 Å
• α: 90°
• β: 96.894 ± 0.003°
• γ: 90°
• Cell volume: 2567.9 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0879
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1153
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.149
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No