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Information card for entry 4335041
Preview
Coordinates | 4335041.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C60 H47.64 N13 O6.32 |
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Calculated formula | C60 H47.64 N13 O6.32 |
Title of publication | Architectural Spiroligomers Designed for Binuclear Metal Complex Templating |
Authors of publication | Shivaiah Vaddypally; Chongsong Xu; Senzhi Zhao; Yanfeng Fan; Christian E. Schafmeister; Michael J. Zdilla |
Journal of publication | Inorganic Chemistry |
Year of publication | 2013 |
Journal volume | 52 |
Pages of publication | 6457 - 6463 |
a | 6.4132 ± 0.0011 Å |
b | 26.71 ± 0.005 Å |
c | 30.792 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 5274.6 ± 1.6 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0453 |
Residual factor for significantly intense reflections | 0.0364 |
Weighted residual factors for significantly intense reflections | 0.0796 |
Weighted residual factors for all reflections included in the refinement | 0.087 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179453 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/50. |
4335041.cif |
100945 | 2014-02-10 | cif/ Adding structures of 4335041 via cif-deposit CGI script. |
4335041.cif |
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Users of the data should acknowledge the original authors of the
structural data.