Information card for entry 7001669

Structure parameters

• Common name: (1,3-di-tert-butyl-2,4-bis(2-methoxyphenoxy)-2,4-bis (bromogold(i))(1,3,2,4)-diazadiphosphetidine) Acetonitrile Solvate
• Chemical name: (1,3-di-tert-butyl-2,4-bis(2-methoxyphenoxy)-2,4-bis (bromogold(I))[1,3,2,4]-diazadiphosphetidine) Acetonitrile Solvate
• Formula: C23 H33.5 Au2 Br2 N2.5 O4 P2
• Calculated formula: C23 H33.5 Au2 Br2 N2.5 O4 P2
• SMILES: [Au](Br)[P]1(N(C(C)(C)C)[P]([Au]Br)(Oc2ccccc2OC)N1C(C)(C)C)Oc1ccccc1OC.C(#N)C
• Title of publication: Gold(i) complexes of cyclodiphosphazanes cis-{RP(μ-NtBu)}2: structure of a novel tetranuclear gold(i) macrocycle, [{Au{(o-MeOC6H4O)P(μ-NtBu)}2}4](ClO4)4
• Authors of publication: Chandrasekaran, P.; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 28
• Pages of publication: 5478 - 5486
• a: 11.6834 ± 0.0006 Å
• b: 12.5944 ± 0.0006 Å
• c: 21.734 ± 0.01 Å
• α: 102.171 ± 0.001°
• β: 94.04 ± 0.001°
• γ: 105.252 ± 0.001°
• Cell volume: 2989.1 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0358
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No