Crystallography Open Database

Information card for entry 4331858

Preview

Coordinates	4331858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H37 N5 O6 Pt
Calculated formula	C14 H37 N5 O6 Pt
SMILES	C(=O)(C(C)(C)C)N[Pt](CC(=O)C)(C#N)(NC(=O)C(C)(C)C)([NH3])[NH3].O.O.O
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	6.845 ± 0.003 Å
b	28.021 ± 0.012 Å
c	12.533 ± 0.005 Å
α	90°
β	105.509 ± 0.007°
γ	90°
Cell volume	2316.3 ± 1.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0533
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	4331858.cif
97941	2014-01-29	cif/ Adding structures of 4331853, 4331854, 4331855, 4331856, 4331857, 4331858 via cif-deposit CGI script.	4331858.cif