Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4316846
Preview
Coordinates | 4316846.cif |
---|---|
Original paper (by DOI) | HTML |
External links | ChemSpider |
Formula | C33 H27 N3 P2 |
---|---|
Calculated formula | C33 H27 N3 P2 |
SMILES | P(=NP(c1ccccc1)c1ccccc1)(c1c(N)c2ncccc2cc1)(c1ccccc1)c1ccccc1 |
Title of publication | Chemistry of the Phosphorus-Nitrogen Ligands. Multiple Isomeric Transformations of the Diphosphinohydrazine Bearing 8-Quinolyl Substituent: P\ρightarrowC, P\ρightarrowN, and P\ρightarrowP Migrations Caused by Different Factors |
Authors of publication | Alexander N. Kornev; Natalia V. Belina; Vyacheslav V. Sushev; Julia S. Panova; Olga V. Lukoyanova; Sergey Y. Ketkov; Georgy K. Fukin; Mikhail A. Lopatin; Gleb A. Abakumov |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 9677 - 9682 |
a | 10.0674 ± 0.0005 Å |
b | 11.7831 ± 0.0006 Å |
c | 12.5396 ± 0.0006 Å |
α | 96.947 ± 0.001° |
β | 112.731 ± 0.001° |
γ | 98.973 ± 0.001° |
Cell volume | 1328.11 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0719 |
Residual factor for significantly intense reflections | 0.0526 |
Weighted residual factors for significantly intense reflections | 0.1281 |
Weighted residual factors for all reflections included in the refinement | 0.139 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4316846.cif |
179248 | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/68. |
4316846.cif |
91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4316846.cif |
34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4316846.cif |
17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4316846.cif |
10355 | 2011-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4316846 via cif-deposit CGI script. |
4316846.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.