Information card for entry 4115336

Structure parameters

• Formula: C37 H53 Cl8 Ga N3 P3
• Calculated formula: C37 H53 Cl8 Ga N3 P3
• SMILES: ClP1N(P(Cl)N(P=[N+]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.[Ga]([Cl-])(Cl)(Cl)Cl.ClCCl
• Title of publication: Transformations between Monomeric, Dimeric, and Trimeric Phosphazanes: Oligomerizing NP Analogues of Olefins
• Authors of publication: Neil Burford; T. Stanley Cameron; Korey D. Conroy; Bobby Ellis; Michael Lumsden; Charles L. B. Macdonald; Robert McDonald; Andrew D. Phillips; Paul J. Ragogna; Robert W. Schurko; Denise Walsh; Roderick E. Wasylishen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 14012 - 14013
• a: 10.4687 ± 0.0008 Å
• b: 13.9849 ± 0.001 Å
• c: 16.4674 ± 0.0012 Å
• α: 87.2367 ± 0.0012°
• β: 81.3528 ± 0.0012°
• γ: 78.8655 ± 0.0012°
• Cell volume: 2338.2 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0531
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No