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Information card for entry 4507696
Preview
Coordinates | 4507696.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | guanidine |
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Chemical name | guanidine |
Formula | C H5 N3 |
Calculated formula | C H5 N3 |
SMILES | C(=N)(N)N |
Title of publication | Single-Crystal Neutron Diffraction Study on Guanidine, CN3H5 |
Authors of publication | Sawinski, Peter Klaus; Meven, Martin; Englert, Ulli; Dronskowski, Richard |
Journal of publication | Crystal Growth & Design |
Year of publication | 2013 |
Journal volume | 13 |
Journal issue | 4 |
Pages of publication | 1730 |
a | 8.5022 ± 0.0002 Å |
b | 9.0863 ± 0.0002 Å |
c | 15.6786 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1211.23 ± 0.05 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 3 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0806 |
Residual factor for significantly intense reflections | 0.0414 |
Weighted residual factors for significantly intense reflections | 0.0819 |
Weighted residual factors for all reflections included in the refinement | 0.1033 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.208 |
Diffraction radiation probe | neutron |
Diffraction radiation wavelength | 0.7937 Å |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
4507696.cif |
85630 | 2013-05-07 | cif/ Adding structures of 4507696, 4507697 via cif-deposit CGI script. |
4507696.cif |
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Users of the data should acknowledge the original authors of the
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