Crystallography Open Database

Information card for entry 4083709

Preview

Coordinates	4083709.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	jdpiii186
Chemical name	jdpiii186
Formula	C13 H20 N4 O4 Pt
Calculated formula	C13 H20 N4 O4 Pt
SMILES	C[Pt]12([n]3c(C)cc(C)n3C(C(=O)O2)n2c(cc(C)[n]12)C)(O)O
Title of publication	Methylplatinum(II) and Molecular Oxygen: Oxidation to Methylplatinum(IV) in Competition with Methyl Group Transfer To Form Dimethylplatinum(IV)
Authors of publication	Prantner, Jason D.; Kaminsky, Werner; Goldberg, Karen I.
Journal of publication	Organometallics
Year of publication	2014
Pages of publication	140619124045007
a	8.0081 ± 0.0002 Å
b	9.968 ± 0.0002 Å
c	10.1253 ± 0.0002 Å
α	78.281 ± 0.001°
β	69.1 ± 0.001°
γ	88.794 ± 0.001°
Cell volume	738.16 ± 0.03 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.014
Residual factor for significantly intense reflections	0.0128
Weighted residual factors for significantly intense reflections	0.0296
Weighted residual factors for all reflections included in the refinement	0.0299
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
178726 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/37.	4083709.cif
126004	2014-10-30	cod/ (saulius@kolibris) Adding full bibliographies to the recently deposited structures from RSS feeds.	4083709.cif
117904	2014-06-20	cif/ Adding structures of 4083709, 4083710, 4083711 via cif-deposit CGI script.	4083709.cif