Crystallography Open Database

Information card for entry 4331854

Preview

Coordinates	4331854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H60 F6 N10 O12 P Pt2 Tl
Calculated formula	C22 H60 F6 N10 O12 P Pt2 Tl
SMILES	C1(C(C)(C)C)=[NH][Pt]2([NH]=C(O[Tl]342(O1)OC(C(C)(C)C)=[NH][Pt]4([NH]=C(C(C)(C)C)O3)([NH3])([NH3])ON(=O)=O)C(C)(C)C)([NH3])(ON(=O)=O)[NH3].[P](F)(F)(F)(F)(F)[F-].OC.OC
Title of publication	Spectral and Structural Characterization of Amidate-Bridged Platinum−Thallium Complexes with Strong Metal−Metal Bonds
Authors of publication	Chen, Wanzhi; Liu, Fenghui; Matsumoto, Kazuko; Autschbach, Jochen; Le Guennic, Boris; Ziegler, Tom; Maliarik, Mikhail; Glaser, Julius
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	11
Pages of publication	4526 - 4536
a	15.298 ± 0.012 Å
b	12.938 ± 0.01 Å
c	23.433 ± 0.017 Å
α	90°
β	105.299 ± 0.012°
γ	90°
Cell volume	4474 ± 6 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0852
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1994
Weighted residual factors for all reflections included in the refinement	0.2209
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
179421 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/18.	4331854.cif
97941	2014-01-29	cif/ Adding structures of 4331853, 4331854, 4331855, 4331856, 4331857, 4331858 via cif-deposit CGI script.	4331854.cif