Crystallography Open Database

Information card for entry 4307381

Preview

Coordinates	4307381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 Cl2 N8 Pt
Calculated formula	C16 H36 Cl2 N8 Pt
SMILES	C(N=C(N(C)C)N(C)C)(CC)=[NH][Pt](Cl)([NH]=C(N=C(N(C)C)N(C)C)CC)Cl
Title of publication	PtII-Mediated Nitrile-Tetramethylguanidine Coupling as a Key Step for a Novel Synthesis of 1,6-Dihydro-1,3,5-triazines
Authors of publication	Pavel V. Gushchin; Nadezhda A. Bokach; Konstantin V. Luzyanin; Alexey A. Nazarov; Matti Haukka; Vadim Yu. Kukushkin
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	1684 - 1693
a	6.5007 ± 0.0002 Å
b	9.3467 ± 0.0004 Å
c	18.9815 ± 0.0006 Å
α	90°
β	98.563 ± 0.002°
γ	90°
Cell volume	1140.46 ± 0.07 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0306
Residual factor for significantly intense reflections	0.0201
Weighted residual factors for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0435
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179111 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/73.	4307381.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4307381.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4307381.cif
1194	2010-06-06	cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory.	4307381.cif