Information card for entry 8101108

Structure parameters

• Formula: C26 H20 Cr N6 O12.5
• Calculated formula: C26 H20 Cr N6 O12.5
• SMILES: [Cr]1234(OC(=O)c5[n]3c(ccc5)C(=O)O1)OC(=O)c1[n]4c(ccc1)C(=O)O2.O=C(O)c1nc(ccc1)C(=O)O.O.[nH+]1c(N)cccc1N
• Title of publication: Crystal structure of 2,6-diaminopyridinum bis(2,6-pyridinedicarboxylato) chromium(III) 2,6-pyridinedicarboxylic acid hemihydrate, C~26~H~18~CrN~6~O~12~ · 0.5H~2~O
• Authors of publication: Ranjbar, M.; Aghabozorg, Hossein; Moghimill, A.; Yanovsky, A.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 4
• Pages of publication: 626 - 628
• a: 15.233 ± 0.004 Å
• b: 25.208 ± 0.006 Å
• c: 14.685 ± 0.003 Å
• α: 90°
• β: 103.893 ± 0.005°
• γ: 90°
• Cell volume: 5474 ± 2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No