Crystallography Open Database

Information card for entry 7021000

7020999 << 7021000 >> 7021001

Preview

Coordinates	7021000.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18.4 H32.1 Br4 N4.7 O Pt S
Calculated formula	C17 H30 Br4 N4 O Pt S
SMILES	[Pt]1(Br)(Br)(Br)(Br)c2cn(C(C)C)c(C)[n+]2Cn2c(C)[n+](C(C)C)cc12.S(=O)(C)C
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	9.5992 ± 0.0002 Å
b	14.1248 ± 0.0003 Å
c	10.3387 ± 0.0002 Å
α	90°
β	90.272 ± 0.002°
γ	90°
Cell volume	1401.78 ± 0.05 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	0.0338
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0838
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7021000.cif
75549	2013-03-10	cif/ Adding structures of 7021000, 7021001, 7021002, 7021003, 7021004, 7021005 via cif-deposit CGI script.	7021000.cif