Information card for entry 8100173

Structure parameters

• Formula: C31 H28 Cl Mn N5 O8
• Calculated formula: C31 H28 Cl Mn N5 O8
• SMILES: [Mn]12(Cl)([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)[OH2].N(=O)(=O)c1ccc(cc1)C(=O)[O-].O.O.O
• Title of publication: Crystal structure of aqua-chloro-bis(1,10-phenanthroline-N,N')manganese (II) 4-nitrobenzoate trihydrate, [Mn(H~2~O)(Cl)(C~12~H~8~N~2~)~2~] (C~7~H~4~NO~4~) · 3H~2~O
• Authors of publication: Zhang, Bi-Song
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 485 - 486
• a: 10.897 ± 0.002 Å
• b: 11.841 ± 0.002 Å
• c: 12.871 ± 0.003 Å
• α: 103.4 ± 0.03°
• β: 92.63 ± 0.03°
• γ: 104.58 ± 0.03°
• Cell volume: 1553.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No