Information card for entry 4350641

Structure parameters

• Formula: C34 H33 N7
• Calculated formula: C34 H33 N7
• SMILES: n1ccc(cc1)C(=N#N)c1cc(cc(c1)C(=N#N)c1ccc(cc1)C(C)(C)C)C(=N#N)c1ccc(cc1)C(C)(C)C
• Title of publication: Magnetic properties of 1:2 mixed cobalt(II) salicylaldehyde Schiff-base complexes with pyridine ligands carrying high-spin carbenes (Scar = 2/2, 4/2, 6/2, and 8/2) in dilute frozen solutions: role of organic spin in heterospin single-molecule magnets.
• Authors of publication: Karasawa, Satoru; Nakano, Kimihiro; Yoshihara, Daisuke; Yamamoto, Noriko; Tanokashira, Jun-ichi; Yoshizaki, Takahito; Inagaki, Yuji; Koga, Noboru
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 5447 - 5457
• a: 20.1256 ± 0.0013 Å
• b: 7.1107 ± 0.0005 Å
• c: 22.3628 ± 0.0014 Å
• α: 90°
• β: 111.708 ± 0.004°
• γ: 90°
• Cell volume: 2973.3 ± 0.3 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 K
• Number of distinct elements: 3
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for significantly intense reflections: 0.0841
• Weighted residual factors for all reflections included in the refinement: 0.2714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 1.54187 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No