Crystallography Open Database

Information card for entry 4312008

4312007 << 4312008 >> 4312009

Preview

Coordinates	4312008.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Pt(C~8~H~15~N~6~]Br^.^3.5H~2~O
Formula	C8 H22 Br N6 O3.5 Pt
Calculated formula	C8 H22 Br N6 O3.5 Pt
Title of publication	Effects of Pt...Pt Bonding, Anions, Solvate Molecules, and Hydrogen Bonding on the Self-Association of Chugaev's Cation, a Platinum Complex with a Chelating Carbene Ligand
Authors of publication	Jay R. Stork; Marilyn M. Olmstead; Alan L. Balch
Journal of publication	Inorganic Chemistry
Year of publication	2004
Journal volume	43
Pages of publication	7508 - 7515
a	6.6625 ± 0.0013 Å
b	12.215 ± 0.003 Å
c	21.932 ± 0.005 Å
α	79.086 ± 0.006°
β	84.987 ± 0.007°
γ	75.038 ± 0.005°
Cell volume	1691.8 ± 0.7 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0477
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0798
Goodness-of-fit parameter for all reflections included in the refinement	1.059
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4312008.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4312008.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4312008.cif
3510	2010-11-16	../uploads/cif-deposit/cod/cif Adding structures of 4312008 via cif-deposit CGI script.	4312008.cif