Information card for entry 7004719

Structure parameters

• Common name: (K-(2,2,2-crypt))2(Hg(Ge9))*2py
• Chemical name: [K-(2,2,2-crypt)]2[Hg(Ge9)]*2py
• Formula: C46 H82 Ge9 Hg K2 N6 O12
• Calculated formula: C46 H82 Ge9 Hg K2 N6 O12
• SMILES: [Hg][Ge]123[Ge]456[Ge]78[Ge]9%105[Ge]5%117[Ge]268[Ge]15[Ge]9%11([Ge]34%10)[Hg][Ge]123[Ge]456[Ge]78[Ge]9%105[Ge]5%117[Ge]268[Ge]15[Ge]9%11([Ge]34%10).[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC9)CC[O]7CC[O]6CC8.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC9)CC[O]7CC[O]6CC8.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC9)CC[O]7CC[O]6CC8.[K]1234567[N]89CC[O]2CC[O]3CC[N]1(CC[O]5CC[O]4CC9)CC[O]7CC[O]6CC8.n1ccccc1.n1ccccc1.n1ccccc1.n1ccccc1
• Title of publication: [Hg3(Ge9)4]10−: a nanometric molecular rod precursor to polymeric mercury-linked cluster chains
• Authors of publication: Denning, Mark S.; Goicoechea, Jose M.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 5882 - 5885
• a: 14.3003 ± 0.0001 Å
• b: 16.1456 ± 0.0001 Å
• c: 28.9538 ± 0.0002 Å
• α: 90°
• β: 93.8634 ± 0.0003°
• γ: 90°
• Cell volume: 6669.86 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0815
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No