Crystallography Open Database

Information card for entry 4319813

4319812 << 4319813 >> 4319814

Preview

Coordinates	4319813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Cl2 N6 O8 Pt S2
Calculated formula	C16 H20 Cl2 N6 O8 Pt S2
SMILES	[Pt]1([n]2c(ccc3ccc4ccc([n]1c4c23)C)C)([S]=C(N)N)[S]=C(N)N.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
Title of publication	Bowl-Shaped and Highly Inert Bis(μ-hydroxo)platinum(II) Dimer
Authors of publication	Ulrich Fekl; Rudi van Eldik; Chris Richardson; Ward T. Robinson
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3247 - 3251
a	9.252 ± 0.003 Å
b	10.071 ± 0.004 Å
c	25.987 ± 0.01 Å
α	90°
β	90.012 ± 0.005°
γ	90°
Cell volume	2421.4 ± 1.6 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0808
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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
179278 (current)	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 4/31/98.	4319813.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319813.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319813.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' ) &	4319813.cif
16618	2011-03-25	../uploads/cif-deposit/cod/cif Adding structures of 4319813 via cif-deposit CGI script.	4319813.cif