Crystallography Open Database

Information card for entry 4334494

Preview

Coordinates	4334494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H6 Cl2 N2 Pt
Calculated formula	C6 H6 Cl2 N2 Pt
SMILES	[Pt]1([NH]=Cc2[n]1cccc2)(Cl)Cl
Title of publication	Platinum-Mediated Dinitrogen Liberation from 2-Picolyl Azide through a Putative Pt=N Double Bond Containing Intermediate
Authors of publication	Balazs Pinter; Damijana Urankar; Andrej Pevec; Frank De Proft; Janez Košmrlj
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	4528 - 4533
a	7.5719 ± 0.0001 Å
b	11.1784 ± 0.0003 Å
c	11.7873 ± 0.0003 Å
α	90°
β	122.184 ± 0.002°
γ	90°
Cell volume	844.39 ± 0.04 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0223
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.0536
Goodness-of-fit parameter for all reflections included in the refinement	1.121
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
179447 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/44.	4334494.cif
100321	2014-02-04	cif/ Adding structures of 4334494 via cif-deposit CGI script.	4334494.cif