Information card for entry 4347712

Structure parameters

• Formula: C24 H56 Co N2 P4 Se4
• Calculated formula: C24 H56 Co N2 P4 Se4
• SMILES: [Se]1[Co]2([Se]P(=NP(=[Se]2)(C(C)C)C(C)C)(C(C)C)C(C)C)[Se]=P(C(C)C)(N=P1(C(C)C)C(C)C)C(C)C
• Title of publication: Magnetic Anisotropy of Tetrahedral Co^II Single-Ion Magnets: Solid-State Effects.
• Authors of publication: Sottini, Silvia; Poneti, Giordano; Ciattini, Samuele; Levesanos, Nikolaos; Ferentinos, Eleftherios; Krzystek, J.; Sorace, Lorenzo; Kyritsis, Panayotis
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 9537 - 9548
• a: 9.2646 ± 0.0004 Å
• b: 12.8147 ± 0.0005 Å
• c: 16.2882 ± 0.0006 Å
• α: 79.442 ± 0.003°
• β: 78.752 ± 0.003°
• γ: 69.885 ± 0.004°
• Cell volume: 1766.73 ± 0.13 ų
• Cell temperature: 15 ± 2 K
• Ambient diffraction temperature: 15 ± 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: 0.0559
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No