Information card for entry 7024944

Structure parameters

• Formula: C124 H108 Cl2 F12 N42 Ni9 O5 P2
• Calculated formula: C124 H108 Cl2 F12 N42 Ni9 O5 P2
• SMILES: [Ni]1234([Ni]5678[Ni]9%10%11%12[Ni]%13%14%15%16[Ni]%17%18%19%20[Ni]%21%22%23%24[Ni]%25%26%27%28[Ni]%29%30%31%32[Ni](Cl)([n]%33c%34[n]%29c(N%25c%25[n]%21c(N%17c%17[n]%13c(N9c9[n]5c5[n]1cccc5cc9)ccc%17)ccc%25)ccc%34ccc%33)([n]1c5[n]%30c(N%26c9[n]%22c(N%18c%13[n]%14c(N%10c%10[n]6c6[n]2cccc6cc%10)ccc%13)ccc9)ccc5ccc1)([n]1c2[n]%31c(N%27c5[n]%23c(N%19c6[n]%15c(N%11c9[n]7c7[n]3cccc7cc9)ccc6)ccc5)ccc2ccc1)[n]1c2[n]%32c(N%28c3[n]%24c(N%20c5[n]%16c(N%12c6[n]8c7[n]4cccc7cc6)ccc5)ccc3)ccc2ccc1)Cl.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].O(CC)CC.N#CC.N#CC.N#CC.N#CC.N#CC.O(CC)CC.N#CC.O.O.O
• Title of publication: Probing the electronic communication of linear heptanickel and nonanickel string complexes by utilizing two redox-active [Ni2(napy)4]3+ moieties.
• Authors of publication: Hua, Shao-An; Liu, Isiah Po-Chun; Hasanov, Hasan; Huang, Gin-Chen; Ismayilov, Rayyat Huseyn; Chiu, Chien-Lan; Yeh, Chen-Yu; Lee, Gene-Hsiang; Peng, Shie-Ming
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 16
• Pages of publication: 3890 - 3896
• a: 16.3842 ± 0.0003 Å
• b: 20.5272 ± 0.0004 Å
• c: 21.7735 ± 0.0004 Å
• α: 107.509 ± 0.001°
• β: 91.1126 ± 0.0012°
• γ: 103.761 ± 0.001°
• Cell volume: 6750.4 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1567
• Residual factor for significantly intense reflections: 0.0908
• Weighted residual factors for significantly intense reflections: 0.2494
• Weighted residual factors for all reflections included in the refinement: 0.3004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No