Crystallography Open Database

Information card for entry 2100945

Preview

Coordinates	2100945.cif
Original IUCr paper	HTML

Structure parameters

Formula	C8 H32 Br2 Cl4 N8 O16 Pt2
Calculated formula	C8 H32 Br2 Cl4 N8 O16 Pt2
Title of publication	Phase transitions of the halogen-bridged <i>M</i>^II^‒<i>X</i>‒<i>M</i>^IV^ mixed-valence complexes [<i>M</i>(en)~2~][<i>M</i>X~2~(en)~2~](ClO~4~)~4~ (<i>M</i> = Pt,Pd; <i>X</i> = Cl, Br). Structural studies of the high- and low-temperature phases of [Pt(en)~2~][PtBr~2~(en)~2~](ClO~4~)~4~
Authors of publication	Toriumi, K.; Yamashita, M.; Kurita, S.; Murase, I.; Ito, T.
Journal of publication	Acta Crystallographica Section B
Year of publication	1993
Journal volume	49
Journal issue	3
Pages of publication	497 - 506
a	13.563 ± 0.002 Å
b	10.939 ± 0.003 Å
c	9.664 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1433.8 ± 0.5 Å³
Number of distinct elements	7
Space group number	72
Hermann-Mauguin space group symbol	I c m a
Hall space group symbol	-I 2b 2b
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
205908 (current)	2018-01-30	cif/2/10/09/ Adding the atomic displacement parameter values in entries 2100944, 2100945 after consulting the original publication.	2100945.cif
205907	2018-01-30	cif/2/10/09/ Correcting the space group in entry 2100945 by changing it from 'I b a m' to 'I c m a' after consulting the original publication.	2100945.cif
205906	2018-01-30	cif/2/10/09/ Marking atom disorder sites in entry 2100945 after consulting the original publication. Marking atom 'Br' as being disordered around a special position with the occupancy of 0.5. Marking atoms 'O(2)', 'O(3)' and 'O(2')', 'O(3')' as belonging to disorder group '1' and '2' respectively with the occupancies of 0.5.	2100945.cif
176768	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2100945.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2100945.cif
32112	2012-02-03	cif/: committing an update of 45+ thous files, with information appended from the originals.	2100945.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2100945.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).	2100945.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.	2100945.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.	2100945.cif
340	2008-04-05	Fixing CIF files headers in the CIF files from the Acta-Cryst-B/ retrospecive deposition.	2100945.cif
326	2008-04-03	Adding all Acta Cryst. B, C, and E missing retrospective CIF files up to 2008 February, generated from the files that were automatically downloaded from the IUCr site.	2100945.cif