Crystallography Open Database

Information card for entry 4300414

Preview

Coordinates	4300414.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(C~4~H~10~N~4~)Pt(dmg-H)^.^3H~2~O
Formula	C8 H22 N6 O5 Pt
Calculated formula	C8 H22 N6 O5 Pt
SMILES	[Pt]12(N(=C(C(C)=N2=O)C)=O)=C(NC)NNC=1NC.O.O.O
Title of publication	Metal-Metal Interactions in Thallium(I)/Platinum(II) Compounds Involving a Chelating Dicarbene and Various Auxiliary Ligands
Authors of publication	Jay R. Stork; Marilyn M. Olmstead; James C. Fettinger; Alan L. Balch
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Pages of publication	849 - 857
a	21.352 ± 0.0018 Å
b	7.0531 ± 0.0006 Å
c	23.395 ± 0.003 Å
α	90°
β	123.213 ± 0.002°
γ	90°
Cell volume	2947.7 ± 0.5 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179042 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/04.	4300414.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4300414.cif
61127	2012-06-21	smi/7 Adding SMILES for borane derivatives.	4300414.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4300414.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.	4300414.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.	4300414.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	4300414.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	4300414.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	4300414.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	4300414.cif