Crystallography Open Database

Information card for entry 4066480

Preview

Coordinates	4066480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H28 Br4 N8 O2 Pt
Calculated formula	C18 H28 Br4 N8 O2 Pt
SMILES	O.[Br-].[Pt]12(=C3N(C=CN3CN3C=1N(C=C3)C)C)(=C1N(C=CN1CN1C=2N(C=C1)C)C)(Br)Br.O.[Br-]
Title of publication	Platinum(IV) Complexes with Chelating N-Heterocyclic Carbene Ligands
Authors of publication	Meyer, Dirk; Ahrens, Sebastian; Strassner, Thomas
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	15
Pages of publication	3392
a	7.68 ± 0.0013 Å
b	20.122 ± 0.0012 Å
c	8.318 ± 0.006 Å
α	90°
β	93.595 ± 0.015°
γ	90°
Cell volume	1282.9 ± 1 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Ambient diffracton pressure	101.3 kPa
Number of distinct elements	6
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	0.0317
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0361
Weighted residual factors for all reflections included in the refinement	0.0391
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178556 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/64.	4066480.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066480.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066480.cif
33907	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066480, 4066481, 4066482 via cif-deposit CGI script.	4066480.cif