Information card for entry 7202188

Structure parameters

• Common name: Copper(ii) Fluorophosphate 1:3 Complex with 1,4-bi(1,2,4- triazol-4-yl)benzene
• Chemical name: Copper(II) Fluorophosphate 1:3 Complex with 1,4-bi(1,2,4-triazol-4-yl)benzene
• Formula: C30 H24 Cu F N18 O3 P
• Calculated formula: C30 H24 Cu N18 O4 P
• Title of publication: New microporous copper(II) coordination polymers based upon bifunctional 1,2,4-triazole/tetrazolate bridges
• Authors of publication: Bondar, Oksana A.; Lukashuk, Liliana V.; Lysenko, Andrey B.; Krautscheid, Harald; Rusanov, Eduard B.; Chernega, Alexander N.; Domasevitch, Konstantin V.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 9
• Pages of publication: 1216
• a: 16.0657 ± 0.0011 Å
• b: 16.0657 ± 0.0011 Å
• c: 7.772 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1737.25 ± 0.19 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 7
• Space group number: 193
• Hermann-Mauguin space group symbol: P 63/m c m
• Hall space group symbol: -P 6c 2
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1188
• Weighted residual factors for all reflections included in the refinement: 0.1231
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No