Information card for entry 7705359

Structure parameters

• Formula: C42 H39 Co N2 P2 Si
• Calculated formula: C42 H39 Co N2 P2 Si
• SMILES: [Co]123([n]4c(C=P2(c2ccccc2)c2ccccc2)ccc2c4c4[n]1c(C=P3(c1ccccc1)c1ccccc1)ccc4cc2)C[Si](C)(C)C
• 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: 15.4631 ± 0.0012 Å
• b: 12.4153 ± 0.0011 Å
• c: 18.898 ± 0.0012 Å
• α: 90°
• β: 103.596 ± 0.008°
• γ: 90°
• Cell volume: 3526.4 ± 0.5 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1227
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1564
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No