Information card for entry 2311762

Structure parameters

• Formula: C4 H10 B F4 N O
• Calculated formula: C4 H10 B F4 N O
• Title of publication: Incommensurately modulated structure of morpholinium tetrafluoroborate and configurational versus chemical entropies at the incommensurate and lock-in phase transitions.
• Authors of publication: Noohinejad, Leila; van Smaalen, Sander; Petříček, Václav; Schönleber, Andreas
• Journal of publication: Acta crystallographica Section B, Structural science, crystal engineering and materials
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 836 - 843
• a: 8.09423 ± 0.00009 Å
• b: 9.40452 ± 0.00016 Å
• c: 9.54481 ± 0.00018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 726.57 ± 0.02 ų
• Cell temperature: 130 K
• Ambient diffraction temperature: 130 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.1651
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for significantly intense reflections: 3.9
• Goodness-of-fit parameter for all reflections included in the refinement: 2.73
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No