Information card for entry 7705357

Structure parameters

• Formula: C38 H29 Co N2 P2
• Calculated formula: C38 H29 Co N2 P2
• SMILES: [Co]123[n]4c(C[P]2(c2ccccc2)c2ccccc2)ccc2ccc5ccc(n3c5c42)C=P1(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: 9.6072 ± 0.0016 Å
• b: 17.588 ± 0.003 Å
• c: 17.717 ± 0.003 Å
• α: 90°
• β: 101.736 ± 0.003°
• γ: 90°
• Cell volume: 2931.1 ± 0.9 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0323
• Residual factor for significantly intense reflections: 0.0279
• Weighted residual factors for significantly intense reflections: 0.0709
• Weighted residual factors for all reflections included in the refinement: 0.0731
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No