Information card for entry 7705358

Structure parameters

• Formula: C38 H31 Co N2 P2
• Calculated formula: C38 H31 Co N2 P2
• SMILES: [Co]123P(=Cc4ccc5ccc6ccc(C[P]1(c1ccccc1)c1ccccc1)[n]3c6c5[n]24)(c1ccccc1)c1ccccc1
• Title of publication: Co(I) complexes with a tetradentate phenanthroline-based PNNP ligand as a potent new metal-ligand cooperation platform.
• Authors of publication: Jheng, Nai-Yuan; Ishizaka, Yusuke; Naganawa, Yuki; Sekiguchi, Akira; Nakajima, Yumiko
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 41
• Pages of publication: 14592 - 14597
• a: 9.1277 ± 0.0013 Å
• b: 12.3182 ± 0.0018 Å
• c: 26.862 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3020.3 ± 0.8 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 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: 0.0734
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1203
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 0.843
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No