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Information card for entry 4500063
Preview
Coordinates | 4500063.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H81 N9 O6 |
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Calculated formula | C78 H93 N12 O6 |
Title of publication | Inclusion Compounds of Hexakis(4-cyanophenyl)benzene: Open Networks Maintained by C-H—N Interactions |
Authors of publication | Kenneth E. Maly; Thierry Maris; Eric Gagnon; James D. Wuest |
Journal of publication | Cryst. Growth & Design |
Year of publication | 2006 |
Journal volume | 6 |
Pages of publication | 461 - 466 |
a | 23.6533 ± 0.0002 Å |
b | 23.6533 ± 0.0002 Å |
c | 10.1601 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 4922.8 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 166 |
Hermann-Mauguin space group symbol | R -3 m :H |
Hall space group symbol | -R 3 2" |
Residual factor for all reflections | 0.0665 |
Residual factor for significantly intense reflections | 0.0657 |
Weighted residual factors for significantly intense reflections | 0.1619 |
Weighted residual factors for all reflections included in the refinement | 0.1623 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
Diffraction radiation wavelength | 1.54178 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179531 (current) | 2016-03-24 | cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/00. |
4500063.cif |
120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4500063.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4500063.cif |
26813 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4500056, 4500057, 4500058, 4500059, 4500060, 4500061, 4500062, 4500063 via cif-deposit CGI script. |
4500063.cif |
All data in the COD and the database itself are dedicated to the
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Users of the data should acknowledge the original authors of the
structural data.