Information card for entry 4347710

Structure parameters

• Formula: C24 H56 Co N2 P4 Se4
• Calculated formula: C24 H56 Co N2 P4 Se4
• SMILES: [Se]1[Co]2([Se]P(C(C)C)(=NP(=[Se]2)(C(C)C)C(C)C)C(C)C)[Se]=P(N=P1(C(C)C)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: 9.317 ± 0.0003 Å
• b: 12.8796 ± 0.0004 Å
• c: 16.3511 ± 0.0005 Å
• α: 79.229 ± 0.003°
• β: 78.362 ± 0.003°
• γ: 69.842 ± 0.003°
• Cell volume: 1789.31 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0443
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No