Information card for entry 7214606

Structure parameters

• Formula: C138 H160 Cl10 N32 O20 Pd5
• Calculated formula: C138 H160 Cl10 N32 O20 Pd5
• SMILES: c12c(c(c(C)cc2C)Cn2cc[n](c2)[Pd]2([n]3ccn(Cc4c(c(c(cc4C)C)Cn4cc[n](c4)[Pd]([n]4ccn(C1)c4)(Cl)Cl)C)c3)[n]1ccn(Cc3c(c(c(cc3C)C)Cn3cc[n](c3)[Pd]([n]3ccn(Cc4c(c(c(cc4C)C)Cn4cc[n]2c4)C)c3)(Cl)Cl)C)c1)C.OC.O.O.O.O.O.O.O.O.c1cn2Cc3c(c(c(cc3C)C)Cn3cc[n](c3)[Pd]34[n]5ccn(Cc6c(c(c(cc6C)C)Cn6cc[n]([Pd]([n]7ccn(c7)Cc7c(c(c(cc7C)C)Cn7cc[n]3c7)C)([n]1c2)[n]1ccn(Cc2c(c(c(cc2C)C)Cn2cc[n]4c2)C)c1)c6)C)c5)C.[Cl-].[Cl-].[Cl-].O.OC.O.O.O.O.O.O.O.O.[Cl-].[Cl-].[Cl-].O
• Title of publication: (M3L4 + M2L4): a unique example of a co-crystal containing M3L4 and M2L4 metallocages
• Authors of publication: Ma, Chunhua; Wang, Jintao; Zhao, Lin; Shi, Yueqin; Luo, Wenping; Yan, Yawkai; Fang, Min; Wang, Xiujian; Liu, Hong-Ke
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 47
• Pages of publication: 10311
• a: 12.418 ± 0.003 Å
• b: 16.869 ± 0.003 Å
• c: 20.201 ± 0.004 Å
• α: 101.395 ± 0.004°
• β: 101.351 ± 0.004°
• γ: 96.407 ± 0.004°
• Cell volume: 4017 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.155
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.1932
• Weighted residual factors for all reflections included in the refinement: 0.249
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No