Crystallography Open Database

Information card for entry 4303128

Preview

Coordinates	4303128.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H24 Cl2 F3 I N6 O3 Pt S
Calculated formula	C11 H24 Cl2 F3 I N6 O3 Pt S
SMILES	[Pt]1(I)([N](C)(C)CC[N]1(C)C)[N]#CN=C(N)N.ClCCCl.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Different Routes for Amination of Platinum(II)-Bound Cyanoguanidine
Authors of publication	Alexander G. Tskhovrebov; Nadezhda A. Bokach; Matti Haukka; Vadim Yu. Kukushkin
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	8678 - 8688
a	8.5269 ± 0.0002 Å
b	21.033 ± 0.002 Å
c	12.9561 ± 0.001 Å
α	90°
β	99.957 ± 0.003°
γ	90°
Cell volume	2288.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
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	0.0355
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0463
Weighted residual factors for all reflections included in the refinement	0.0492
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179069 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/31.	4303128.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4303128.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4303128.cif
1125	2010-04-25	cif/4/ Adding CIFs for the Inorg-Chem-2009_11-24 deposition.	4303128.cif