Crystallography Open Database

Information card for entry 2103181

Preview

Coordinates	2103181.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	1,3,5-Triaza-7-phospha-adamantane-7-oxide
Formula	C6 H12 N3 O P
Calculated formula	C6 H12 N3 O P
Title of publication	Some 60 new space-group corrections
Authors of publication	Marsh, Richard E.; Kapon, Moshe; Hu, Shengzhi; Herbstein, Frank H.
Journal of publication	Acta Crystallographica Section B
Year of publication	2002
Journal volume	58
Journal issue	1
Pages of publication	62 - 77
a	5.8847 Å
b	5.8847 Å
c	5.8847 Å
α	104.09°
β	104.09°
γ	104.09°
Cell volume	181.512 Å³
Number of distinct elements	5
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :R
Hall space group symbol	P 3* -2
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
199516 (current)	2017-08-04	cif/2/10/ (antanas@echidna.ibt.lt) Adding the _cell_formula_units_Z data item in entries 2103164, 2103178, 2103179, 2103181, 2103182, 2103184, 2103185, 2103186, 2103189, 2103190, 2103193, 2103195, 2103199, 2103201, 2103202, 2103208, 2103216, 2103217, 2103220, 2103222, 2103223 after consulting the original publication.	2103181.cif
199500	2017-08-03	cif/2/10/31/ (antanas@kurmis) Changing the space group from 'R 3 -2"' to 'P 3* -2' in entries 2103181, 2103182 after consulting the original publication.	2103181.cif
176435	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	2103181.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2103181.cif
32112	2012-02-03	cif/: committing an update of 45+ thous files, with information appended from the originals.	2103181.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2103181.cif
26029	2011-09-17	cif/2/ Reverting changes of revision 25271: ( cd cif/2/; svn merge -r25271:25270 . ) The problem was that the reprocessed files from IUCr, although were more complete, "resurrected" data errors that were corrected in the previous recisions. The additional data that have been extracted during the reprocessing will have to be merged without overwriting the existing values in COD files, except some explicit and controlled cases (such as publication titles and chemical names).	2103181.cif
25271	2011-09-10	cif/2/ Adding reporocessed IUCr CIFs for the years 1980-2010. The CIFs now contain more complete bibliography, substance names, correctly unfolded text fields (using the CIF line unfolding protocol), explicitely set cell angles, and _cod_data_source_block fields.	2103181.cif
5310	2011-01-02	cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case.	2103181.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2103181.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	2103181.cif
380	2008-06-11	Adding new deposition of the Acta-Cryst-B-2002/ CIF files.	2103181.cif