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Information card for entry 7041363
Preview
Coordinates | 7041363.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C116 H96 F12 Ir4 N4 O20 S6 |
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Calculated formula | C114.667 H96 F8 Ir4 N4 O16 S4.66667 |
SMILES | [Ir]123456([n]7ccc(C#Cc8sc(cc8)C#Cc8cc[n]([Ir]9%10%11%12%13(Oc%14c%15c(O9)c9ccccc9c9O[Ir]%16%17%18%19([n]%20ccc(C#Cc%21sc(cc%21)C#Cc%21cc[n]([Ir]%22%23%24%25%26(Oc%27c%28c(c(O2)c2ccccc%272)c(O1)c1ccccc1c%28O%22)[c]1([c]%23([c]%24([c]%25([c]%261C)C)C)C)C)cc%21)cc%20)(Oc(c%159)c1ccccc%141)[c]1([c]%19([c]%18([c]%17([c]%161C)C)C)C)C)[c]1([c]%13([c]%12([c]%11([c]%101C)C)C)C)C)cc8)cc7)[c]1([c]3([c]4([c]5([c]61C)C)C)C)C.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F |
Title of publication | Selective synthesis of iridium(iii)-derived molecular Borromean rings, [2]catenane and ring-in-ring macrocycles via coordination-driven self-assembly. |
Authors of publication | Singh, Nem; Kim, Dongwook; Kim, Dong Hwan; Kim, Eun-Hee; Kim, Hyunuk; Lah, Myoung Soo; Chi, Ki-Whan |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2017 |
Journal volume | 46 |
Journal issue | 2 |
Pages of publication | 571 - 577 |
a | 29.999 ± 0.006 Å |
b | 41.049 ± 0.008 Å |
c | 41.779 ± 0.008 Å |
α | 62.53 ± 0.03° |
β | 86.58 ± 0.03° |
γ | 74.26 ± 0.03° |
Cell volume | 43806 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.1491 |
Residual factor for significantly intense reflections | 0.1262 |
Weighted residual factors for significantly intense reflections | 0.3832 |
Weighted residual factors for all reflections included in the refinement | 0.4164 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.85 |
Diffraction radiation wavelength | 0.7 Å |
Diffraction radiation type | synchrotron |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7041363.html
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