Information card for entry 7101323

Structure parameters

• Formula: C12 H24 Fe2 N4 O15 P4
• Calculated formula: C12 H24 Fe2 N4 O15 P4
• Title of publication: The first route to large pore metal phosphonates
• Authors of publication: Groves, John A.; Miller, Stuart R.; Warrender, Stewart J.; Mellot-Draznieks, Caroline; Lightfoot, Philip; Wright, Paul A.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 31
• Pages of publication: 3305 - 3307
• a: 8.3081 ± 0.0007 Å
• b: 9.1647 ± 0.0007 Å
• c: 9.1839 ± 0.0007 Å
• α: 62.781 ± 0.001°
• β: 79.029 ± 0.001°
• γ: 87.088 ± 0.001°
• Cell volume: 609.95 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0583
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.1275
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.69999 Å
• Diffraction radiation type: synchrotronradiation
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No