Information card for entry 7705356

Structure parameters

• Formula: C40 H33 Cl Co N3 P2
• Calculated formula: C40 H33 Cl Co N3 P2
• SMILES: [Co]123(Cl)[P](Cc4[n]2c2c(cc4)ccc4ccc([n]3c24)C[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.N#CC
• 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: 10.996 ± 0.005 Å
• b: 12.777 ± 0.005 Å
• c: 13.167 ± 0.005 Å
• α: 80.538 ± 0.005°
• β: 72.079 ± 0.005°
• γ: 71.39 ± 0.005°
• Cell volume: 1663.6 ± 1.2 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1191
• Residual factor for significantly intense reflections: 0.0954
• Weighted residual factors for significantly intense reflections: 0.2659
• Weighted residual factors for all reflections included in the refinement: 0.2808
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No