Crystallography Open Database

Information card for entry 4071322

Preview

Coordinates	4071322.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H40 Cl N2 P Pt
Calculated formula	C25 H40 Cl N2 P Pt
SMILES	[Pt]1(Cl)([P](Cc2[n]1c(ccc2)CN(CC)CC)(C(C)(C)C)C(C)(C)C)c1ccccc1
Title of publication	Cationic, Neutral, and Anionic Platinum(II) Complexes Based on an Electron-Rich PNN Ligand. New Modes of Reactivity Based on Pincer Hemilability and Dearomatization
Authors of publication	Vuzman, Dana; Poverenov, Elena; Shimon, Linda J. W.; Diskin-Posner, Yael; Milstein, David
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	11
Pages of publication	2627
a	12.6781 ± 0.0003 Å
b	10.0244 ± 0.0002 Å
c	20.893 ± 0.0006 Å
α	90°
β	102.328 ± 0.0013°
γ	90°
Cell volume	2594.07 ± 0.11 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0534
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0583
Weighted residual factors for all reflections included in the refinement	0.0628
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
178602 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/13.	4071322.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071322.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071322.cif
43151	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071322 via cif-deposit CGI script.	4071322.cif