Information card for entry 4119083

Structure parameters

• Formula: C34 H48 Cl20 D6 N12 W2
• Calculated formula: C34 H54 Cl20 N12 W2
• SMILES: [W]1234N5CCCN6CCC[N](=C56)[W]1(N1CCCN5CCC[N]3=C15)([N]1CCCN3CCCN2C=13)N1CCCN2CCC[N]4=C12.C(Cl)(Cl)Cl.[Cl-].ClC(Cl)Cl.ClC(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[Cl-]
• Title of publication: M2(hpp)4Cl2and M2(hpp)4, Where M = Mo and W: Preparations, Structure and Bonding, and Comparisons with C2, C2H2, and C2Cl2and the Hypothetical Molecules M2(hpp)4(H)2†
• Authors of publication: Chisholm, Malcolm H.; Gallucci, Judith; Hadad, Christopher M.; Huffman, John C.; Wilson, Paul J.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Journal issue: 51
• Pages of publication: 16040 - 16049
• a: 10.3837 ± 0.0001 Å
• b: 11.1668 ± 0.0001 Å
• c: 13.3458 ± 0.0001 Å
• α: 75.728 ± 0.001°
• β: 81.398 ± 0.001°
• γ: 85.268 ± 0.001°
• Cell volume: 1481.17 ± 0.02 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0317
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for all reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.0554
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No