Crystallography Open Database

Information card for entry 7021001

Preview

Coordinates	7021001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H33 Cl4 N5 O Pt S
Calculated formula	C19 H33 Cl4 N5 O Pt S
SMILES	[Pt]1(Cl)(Cl)(Cl)(Cl)c2cn(C(C)C)c(C)[n+]2Cn2c(C)[n+](C(C)C)cc12.S(=O)(C)C.N#CC
Title of publication	Platinum(ii) and platinum(iv) complexes stabilized by abnormal/mesoionic C4-bound dicarbenes.
Authors of publication	Khlebnikov, Vsevolod; Heckenroth, Marion; Müller-Bunz, Helge; Albrecht, Martin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	12
Pages of publication	4197 - 4207
a	9.3908 ± 0.0002 Å
b	13.8861 ± 0.0002 Å
c	10.1824 ± 0.0002 Å
α	90°
β	90.069 ± 0.002°
γ	90°
Cell volume	1327.8 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.027
Residual factor for significantly intense reflections	0.0252
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
179915 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/10.	7021001.cif
75549	2013-03-10	cif/ Adding structures of 7021000, 7021001, 7021002, 7021003, 7021004, 7021005 via cif-deposit CGI script.	7021001.cif