Information card for entry 8107192

Structure parameters

• Formula: C36 H26 Mn N4 O5
• Calculated formula: C36 H26 Mn N4 O5
• SMILES: [Mn]123(OC(=O)c4[n]1c(c1ccccc1)ccc4)(OC(=O)c1[n]3c(ccc1)c1ccccc1)[n]1c3c4[n]2cccc4ccc3ccc1.O
• Title of publication: The crystal structure of [(1,10-phenantroline-κ2 N,N′)-bis(6-phenylpyridine-2-carboxylato-κ2 N,O)manganese(II)] monohydrate, C36H26N4O5Mn
• Authors of publication: Hua-Xiang, Zhang; Xi-Shi, Tai
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 697 - 699
• a: 10.7134 ± 0.0007 Å
• b: 10.7573 ± 0.001 Å
• c: 26.6304 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3069.1 ± 0.4 ų
• Cell temperature: 219.99 ± 0.1 K
• Ambient diffraction temperature: 219.99 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0605
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No