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Information card for entry 4500077
Preview
Coordinates | 4500077.cif |
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Original paper (by DOI) | HTML |
Formula | C102 H64 N8 O18 |
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Calculated formula | C102 H64 N8 O18 |
Title of publication | Weakly Bonded Molecular Networks Built from Tetranitro and Tetracyanospirobifluorenes |
Authors of publication | Eric Demers; Thierry Maris; Janie Cabana; Jean-Hugues Fournier; James D. Wuest |
Journal of publication | Cryst. Growth & Design |
Year of publication | 2005 |
Journal volume | 5 |
Pages of publication | 1237 - 1245 |
a | 16.116 ± 0.0008 Å |
b | 16.2973 ± 0.0008 Å |
c | 18.7307 ± 0.0009 Å |
α | 64.223 ± 0.003° |
β | 69.471 ± 0.003° |
γ | 89.408 ± 0.003° |
Cell volume | 4089.3 ± 0.4 Å3 |
Cell temperature | 223 ± 2 K |
Ambient diffraction temperature | 223 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0785 |
Residual factor for significantly intense reflections | 0.0687 |
Weighted residual factors for significantly intense reflections | 0.1591 |
Weighted residual factors for all reflections included in the refinement | 0.1605 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
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. |
4500077.cif |
120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4500077.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4500077.cif |
26819 | 2011-09-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4500075, 4500076, 4500077, 4500078, 4500079, 4500080 via cif-deposit CGI script. |
4500077.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.