Information card for entry 4509868

Structure parameters

• Chemical name: aqua-1-hydroxy-1,1-(hydrogendiphosphonato)ethane-calcium potassium hydrate
• Formula: C2 Ca K O9 P2
• Calculated formula: C2 Ca K O9 P2
• Title of publication: Discovery of New Calcium Etidronates Employing Ultrasound Adapted High-Throughput Methods
• Authors of publication: Niekiel, Felicitas; Stock, Norbert
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 599
• a: 11.3975 ± 0.0008 Å
• b: 5.756 ± 0.0004 Å
• c: 15.4086 ± 0.001 Å
• α: 90°
• β: 94.012 ± 0.007°
• γ: 90°
• Cell volume: 1008.39 ± 0.12 ų
• Ambient diffraction temperature: 77 K
• Ambient diffracton pressure: 1013 kPa
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.825986 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No