Information card for entry 7110952

Structure parameters

• Chemical name: N-carboxy-P-phenyl-P-dinitrosylchlorocobalt(i)-1-aza-4,6-dioxa-5- phosphacycl oottane
• Formula: C17 H26 Cl Co N3 O8 P
• Calculated formula: C17 H26 Cl Co N3 O8 P
• SMILES: [Co](Cl)([P]1(OCCN(CCO1)C(=O)O)c1ccccc1)(N=O)N=O.O=C(C)C.O=C(C)C
• Title of publication: Isolation and structural determination of two derivatives of the elusive carbamic acid
• Authors of publication: Aresta, Michele; Ballivet-Tkatchenko, Danielle; Dell’Amico, Daniela Belli; Boschi, Daniele; Calderazzo, Fausto; Labella, Luca; Bonnet, Michel C.; Faure, René; Marchetti, Fabio
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 1099
• a: 9.612 ± 0.002 Å
• b: 11.936 ± 0.003 Å
• c: 12.371 ± 0.004 Å
• α: 73.34 ± 0.02°
• β: 69.94 ± 0.02°
• γ: 66.18 ± 0.02°
• Cell volume: 1201.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1321
• Residual factor for significantly intense reflections: 0.0915
• Weighted residual factors for significantly intense reflections: 0.2348
• Weighted residual factors for all reflections included in the refinement: 0.3093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No