Information card for entry 7001670

Structure parameters

• Common name: Diiodo-mu-(1,3-di-tert-butyl-2,4-bis(2-methoxy- phenoxy)(1,3,2,4)diazadiphosphetidine)digold(i)
• Chemical name: Diiodo-μ-(1,3-di-tert-butyl-2,4-bis(2-methoxy- phenoxy)[1,3,2,4]diazadiphosphetidine)digold(I)
• Formula: C22 H32 Au2 I2 N2 O4 P2
• Calculated formula: C22 H32 Au2 I2 N2 O4 P2
• SMILES: [Au](I)[P]1(N(C(C)(C)C)[P]([Au]I)(Oc3ccccc3OC)N1C(C)(C)C)Oc1ccccc1OC
• 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: 9.0821 ± 0.0007 Å
• b: 11.592 ± 0.0009 Å
• c: 15.34 ± 0.001 Å
• α: 84.578 ± 0.001°
• β: 85.85 ± 0.001°
• γ: 67.053 ± 0.001°
• Cell volume: 1479.42 ± 0.19 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: 0.0293
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0664
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No