Information card for entry 4025259

Structure parameters

• Formula: C96 H111 Br1.84 Cl8.16 N13 Pd4 Zn
• Calculated formula: C96 H111 Br1.84 Cl8.16 N13 Pd4 Zn
• Title of publication: Synthesis of and Evidence for Electronic Communication within Heteromultimetallic Tetrakis(NCN-pincer metal)-(Metallo)porphyrin Hybrids
• Authors of publication: Bart M. J. M. Suijkerbuijk; Duncan M. Tooke; Martin Lutz; Anthony L. Spek; Leonardus W. Jenneskens; Gerard van Koten; Robertus J. M. Klein Gebbink
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 1534 - 1549
• a: 15.126 ± 0.003 Å
• b: 19.255 ± 0.004 Å
• c: 20.943 ± 0.005 Å
• α: 111.226 ± 0.003°
• β: 95.283 ± 0.003°
• γ: 101.042 ± 0.003°
• Cell volume: 5493 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0619
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.123
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No