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Information card for entry 1513673
Preview
Coordinates | 1513673.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H44 Cl4 N4 P4 |
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Calculated formula | C26 H44 Cl4 N4 P4 |
SMILES | CC1=C(C)CN2P(C1)N1CC(=C(CP1N1P(N3P2CC(=C(C3)C)C)CC(=C(C1)C)C)C)C.ClCCl.ClCCl |
Title of publication | Diatomic PN ‒ trapped in a cyclo-tetraphosphazene |
Authors of publication | Hering, Christian; Schulz, Axel; Villinger, Alexander |
Journal of publication | Chemical Science |
Year of publication | 2014 |
Journal volume | 5 |
Journal issue | 3 |
Pages of publication | 1064 |
a | 11.5705 ± 0.0005 Å |
b | 12.2221 ± 0.0003 Å |
c | 13.6923 ± 0.0003 Å |
α | 111.408 ± 0.001° |
β | 105.64 ± 0.001° |
γ | 97.431 ± 0.001° |
Cell volume | 1679.03 ± 0.09 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0687 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.1035 |
Weighted residual factors for all reflections included in the refinement | 0.1184 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1513673.cif |
105105 | 2014-03-11 | cif/ Adding structures of 1513673, 1513674, 1513675, 1513676, 1513677, 1513678, 1513679, 1513680, 1513681, 1513682 via cif-deposit CGI script. |
1513673.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.