Information card for entry 7021442

Structure parameters

• Formula: C31 H42 Br N4 Nb
• Calculated formula: C31 H42 Br N4 Nb
• SMILES: [Nb]1(=NC(C)(C)C)([N](=C(NC(C)C)N1c1ccc(Br)cc1)C(C)C)(Cc1ccccc1)Cc1ccccc1
• Title of publication: Asymmetric niobium guanidinates as intermediates in the catalytic guanylation of amines.
• Authors of publication: Elorriaga, David; Carrillo-Hermosilla, Fernando; Antiñolo, Antonio; Suárez, Francisco J; López-Solera, Isabel; Fernández-Galán, Rafael; Villaseñor, Elena
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 23
• Pages of publication: 8223 - 8230
• a: 11.9922 ± 0.0014 Å
• b: 18.927 ± 0.002 Å
• c: 15.034 ± 0.0018 Å
• α: 90°
• β: 112.579 ± 0.001°
• γ: 90°
• Cell volume: 3150.8 ± 0.6 ų
• Cell temperature: 260 ± 2 K
• Ambient diffraction temperature: 260 ± 2 K
• Number of distinct elements: 5
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No