Information card for entry 1101067

Structure parameters

• Formula: C4 H11 N3 O3
• Calculated formula: C4 H11 N3 O3
• Title of publication: The crystal structure of creatine monohydrate
• Authors of publication: Mendel, H.; Hodgkin, D. C.
• Journal of publication: Acta Crystallographica
• Year of publication: 1954
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 443 - 446
• a: 12.5 ± 0.05 Å
• b: 5.01 ± 0.02 Å
• c: 12.16 ± 0.04 Å
• α: 90°
• β: 109°
• γ: 90°
• Cell volume: 720.031 ų
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No