Information card for entry 7029083

Structure parameters

• Formula: C146 H184 Ag2 Au6 Cl8 F12 O8 P8
• Calculated formula: C146 H184 Ag2 Au6 Cl8 F12 O8 P8
• SMILES: [C]12#[C]([C@@]3([C@@]4(CC[C@H](C3)C4(C)C)C)O)[Ag]341[C](#C[C@@]1([C@@]5(CC[C@H](C1)C5(C)C)C)O)[Au][P](c1ccccc1)(c1ccccc1)CC[P@]1(c5ccccc5)CC[P](c5ccccc5)(c5ccccc5)[Au][C]5#[C]([C@@]6([C@@]7(CC[C@H](C6)C7(C)C)C)O)[Ag]6785[C](#[C]6[C@@]5([C@@]6(CC[C@H](C5)C6(C)C)C)O)[Au]([P@@](c5ccccc5)(CCP(c5ccccc5)(c5ccccc5)[Au]2)CC[P](c2ccccc2)(c2ccccc2)[Au][C]7#[C]8[C@@]2([C@@]5(CC[C@H](C2)C5(C)C)C)O)[Au]1[C]3#[C]4[C@@]1([C@@]2(CC[C@H](C1)C2(C)C)C)O.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].OC.OC
• Title of publication: Triphosphine-supported bimetallic Au(I)-M(I) (M = Ag, Cu) alkynyl clusters.
• Authors of publication: Krytchankou, Ilya S.; Krupenya, Dmitry V.; Karttunen, Antti J.; Tunik, Sergey P.; Pakkanen, Tapani A.; Chou, Pi-Tai; Koshevoy, Igor O.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 8
• Pages of publication: 3383 - 3394
• a: 15.6391 ± 0.0007 Å
• b: 24.0712 ± 0.001 Å
• c: 20.4371 ± 0.0008 Å
• α: 90°
• β: 90.928 ± 0.002°
• γ: 90°
• Cell volume: 7692.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0271
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No