Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4505093
Preview
Coordinates | 4505093.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C21 H21 N3 O9 P3 |
---|---|
Calculated formula | C21 H21 N3 O9 P3 |
Title of publication | Crystal-Engineered Three-Dimensional Hydrogen-Bonding Networks Built with 1,3,5-Benzenetri(phosphonic acid) and Bipyridine Synthons |
Authors of publication | Kong, Deyuan; Clearfield, Abraham; Zoń, Jerzy |
Journal of publication | Crystal Growth & Design |
Year of publication | 2005 |
Journal volume | 5 |
Journal issue | 5 |
Pages of publication | 1767 |
a | 10.3098 ± 0.0019 Å |
b | 15.608 ± 0.003 Å |
c | 14.243 ± 0.003 Å |
α | 90° |
β | 101.618 ± 0.003° |
γ | 90° |
Cell volume | 2245 ± 0.8 Å3 |
Cell temperature | 110 ± 2 K |
Ambient diffraction temperature | 110 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0422 |
Residual factor for significantly intense reflections | 0.0416 |
Weighted residual factors for significantly intense reflections | 0.0999 |
Weighted residual factors for all reflections included in the refinement | 0.1002 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.236 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
179585 (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 4/50/50. |
4505093.cif |
120110 | 2014-07-12 | Adding DOIs to range 4/50 structures. | 4505093.cif |
50160 | 2012-03-31 | ../uploads/cif-deposit/cod/cif Adding structures of 4505093 via cif-deposit CGI script. |
4505093.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.