Information card for entry 4311327

Structure parameters

• Formula: C66 H80 Cl6 N6 O2 Pd3
• Calculated formula: C66 H78 Cl6 N6 O2 Pd3
• SMILES: [Pd]1(Cl)(Cl)[n]2c(CCc3c(c4c(c(c3CC)CCc3[n]([Pd](Cl)(Cl)[n]5c(CCc6c(c(c(c(c6CC)CCc6[n]([Pd](Cl)(Cl)[n]7ccccc7CC4)cccc6)CC)CCc4[n]1cccc4)CC)cccc5)cccc3)CC)CC)cccc2.O.O
• Title of publication: Supramolecular and Coordination Polymer Complexes Supported by a Tripodal Tripyridine Ligand Containing a 1,3,5-Triethylbenzene Spacer
• Authors of publication: Hiromi Ohi; Yoshimitsu Tachi; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 4561 - 4563
• a: 16.102 ± 0.005 Å
• b: 31.41 ± 0.01 Å
• c: 16.268 ± 0.003 Å
• α: 90°
• β: 106.38 ± 0.01°
• γ: 90°
• Cell volume: 7894 ± 4 ų
• Cell temperature: 161.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.07
• Goodness-of-fit parameter for all reflections included in the refinement: 1.468
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No