Information card for entry 7015471

Structure parameters

• Formula: C80 H70 Co3 N20 O11
• Calculated formula: C80 H50 Co3 N20 O11
• SMILES: [Co]123([n]4cccc5ccc6ccc[n]1c6c45)([n]1cccc4ccc5ccc[n]2c5c14)[n]1cccc2ccc4ccc[n]3c4c12.[Co]1(C#N)(C#N)(C#N)(C#N)[n]2cccc3ccc4ccc[n]1c4c23.[Co]1(C#N)(C#N)(C#N)(C#N)[n]2cccc3ccc4ccc[n]1c4c23.c1ccc2ccc3cccnc3c2n1.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: The low spin Co(II) fragment with homoleptic 1,10-phenanthroline ligands: synthesis, structures, DFT investigations, and magnetic properties.
• Authors of publication: Li, Bo; Zhang, Jingping; Yong, Xue; Li, Wenliang; Zheng, Yiying
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 17
• Pages of publication: 4459 - 4464
• a: 12.17 ± 0.0008 Å
• b: 16.4977 ± 0.0011 Å
• c: 20.0795 ± 0.0012 Å
• α: 94.498 ± 0.001°
• β: 93.493 ± 0.001°
• γ: 106.921 ± 0.001°
• Cell volume: 3830.2 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1304
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1396
• Weighted residual factors for all reflections included in the refinement: 0.1588
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No