Information card for entry 4340248

Structure parameters

• Common name: W(Hhpp)2(CO)4
• Chemical name: Tungsten(0) bis(1,3,4,6,7,8-hexahydro-2H-pyrimido[1,2-a]pyrimidinate) tetra(carbonyl)
• Formula: C18 H26 N6 O4 W
• Calculated formula: C18 H26 N6 O4 W
• SMILES: C(#[O])[W](C#[O])([N]1=C2N(CCC1)CCCN2)(C#[O])(C#[O])[N]1=C2NCCCN2CCC1
• Title of publication: Facilitating access to the most easily ionized molecule: an improved synthesis of the key intermediate, W2(hpp)4Cl2, and related compounds.
• Authors of publication: Cotton, F. Albert; Donahue, James P.; Gruhn, Nadine E.; Lichtenberger, Dennis L.; Murillo, Carlos A.; Timmons, Daren J.; Van Dorn, Laura O.; Villagrán, Dino; Wang, Xiaoping
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 1
• Pages of publication: 201 - 213
• a: 7.6069 ± 0.0007 Å
• b: 16.3204 ± 0.0015 Å
• c: 16.6671 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2069.2 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0233
• Residual factor for significantly intense reflections: 0.0179
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No