Information card for entry 8100166

Structure parameters

• Formula: C15 H18 Cu N2 O6
• Calculated formula: C15 H18 Cu N2 O6
• SMILES: [Cu]12([n]3c(ccc4ccc5ccc([n]1c5c34)C)C)OC(=O)O2.O.O.O
• Title of publication: Crystal structure of aqua-carbonato-(2,9-dimethyl-1,10-phenanthroline- N,N')copper(II) dihydrate, [Cu(C~14~H~12~N~2~)(H~2~O)(CO~3~)] · 2H~2~O
• Authors of publication: Zheng, Yue-Qing
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 429 - 430
• a: 12.417 ± 0.002 Å
• b: 17.813 ± 0.003 Å
• c: 6.95 ± 0.001 Å
• α: 90°
• β: 90.76 ± 0.01°
• γ: 90°
• Cell volume: 1537.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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