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Information card for entry 4108268
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Coordinates | 4108268.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | MOP-24 |
---|---|
Formula | C656 H776 Cu24 N64 O188 |
Calculated formula | C336 H144 Cu24 O120 |
SMILES | c12cc3c4cc(ccc4c3cc1)C1=[O][Cu]345([OH2])[O]=C6c7cc8c9cc(ccc9c8cc7)C7=[O][Cu]89%10([OH2])[O]=C%11c%12cc%13c%14cc(ccc%14c%13cc%12)C%12=[O][Cu]%13%14%15([OH2])[O]=C%16c%17cc%18c%19cc(ccc%19c%18cc%17)C%17=[O][Cu]%18%19%20([OH2])[O]=C%21c%22cc%23c%24cc(ccc%24c%23cc%22)C%22=[O][Cu]%23%24%25([OH2])[O]=C%26c%27cc%28c%29cc(ccc%29c%28cc%27)C%27=[O][Cu]%28%29%30([OH2])[O]=C%31c%32cc%33c%34cc(ccc%34c%33cc%32)C%32=[O][Cu]%33%34%35([OH2])[O]=C%36c%37cc%38c%39cc(ccc%39c%38cc%37)C%37=[O][Cu]%38%39%40([OH2])[O]=C(c%41cc%42c%43cc(ccc%43c%42cc%41)C%41=[O][Cu]%42%43%44([OH2])[O]=C2O[Cu]2%43([OH2])(O%41)[O]=C(O%42)c%41cc%42c(cc%41)c%41c%42cc(cc%41)C(O%29)=[O][Cu]%30(O%31)(O%27)([OH2])[O]=C(O%28)c%27cc%28c%29cc(ccc%29c%28cc%27)C(O%14)=[O][Cu]%15(O%16)(O%12)([OH2])[O]=C(O%13)c%12cc%13c%14cc(ccc%14c%13cc%12)C(O%44)=[O]2)O[Cu]2%40([OH2])(O%37)[O]=C(O%38)c%12cc%13c%14cc(ccc%14c%13cc%12)C%12=[O][Cu]%13%14%15([OH2])[O]=C%16O[Cu]%27%14(O%12)([OH2])[O]=C(O%13)c%12cc%13c%14cc(ccc%14c%13cc%12)C%12=[O][Cu]%13%14%28([OH2])[O]=C%29c%30cc%31c%37cc(ccc%37c%31cc%30)C(O8)=[O][Cu]%10(O7)(O%11)([OH2])[O]=C(O9)c7cc8c9cc(ccc9c8cc7)C(O%19)=[O][Cu]%18(O%17)(O%21)([OH2])[O]=C(O%20)c7cc8c9cc(ccc9c8cc7)C7=[O][Cu]89%10([OH2])[O]=C(c%11cc%17c%18cc(ccc%18c%17cc%11)C(O%23)=[O][Cu]%25(O%22)(O%26)([OH2])[O]=C(O%24)c%11cc%17c%18cc(ccc%18c%17cc%11)C(O%34)=[O][Cu]%33(O%32)(O%36)([OH2])[O]=C(O%35)c%11cc%17c%18cc(ccc%18c%17cc%11)C(O%15)=[O]%27)O[Cu]%10(O7)([OH2])([O]=C(O9)c7cc9c%10cc%16ccc%10c9cc7)[O]=C(O8)c7cc8c9cc(ccc9c8cc7)C(O%13)=[O][Cu]%14(O%29)(O%12)([OH2])[O]=C(O%28)c7cc8c9cc(ccc9c8cc7)C(O5)=[O][Cu]3(O1)(O6)([OH2])[O]=C(O4)c1cc3c4cc(C(O%39)=[O]2)ccc4c3cc1 |
Title of publication | Control of Vertex Geometry, Structure Dimensionality, Functionality, and Pore Metrics in the Reticular Synthesis of Crystalline Metal-Organic Frameworks and Polyhedra |
Authors of publication | Hiroyasu Furukawa; Jaheon Kim; Nathan W. Ockwig; Michael O'Keeffe; Omar M. Yaghi |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 11650 - 11661 |
a | 38.3867 ± 0.0009 Å |
b | 38.3867 ± 0.0009 Å |
c | 141.831 ± 0.003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 180994 ± 7 Å3 |
Cell temperature | 258 ± 2 K |
Ambient diffraction temperature | 258 ± 2 K |
Number of distinct elements | 5 |
Space group number | 167 |
Hermann-Mauguin space group symbol | R -3 c :H |
Hall space group symbol | -R 3 2"c |
Residual factor for all reflections | 0.2239 |
Residual factor for significantly intense reflections | 0.0682 |
Weighted residual factors for significantly intense reflections | 0.1385 |
Weighted residual factors for all reflections included in the refinement | 0.183 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.958 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108268.html
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