Crystallography Open Database

Information card for entry 4072446

Preview

Coordinates	4072446.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H34 Cl4 N4 Pt
Calculated formula	C34 H34 Cl4 N4 Pt
SMILES	c1ccccc1Cn1c[n+](cc1)Cc1ccccc1.Cl[Pt](Cl)([Cl-])[Cl-].c1ccccc1Cn1c[n+](cc1)Cc1ccccc1
Title of publication	Synthesis of Mixed NHC/L Platinum(II) Complexes: Restricted Rotation of the NHC Group
Authors of publication	Newman, Christopher P.; Deeth, Robert J.; Clarkson, Guy J.; Rourke, Jonathan P.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	25
Pages of publication	6225
a	9.69 ± 0.003 Å
b	11.996 ± 0.004 Å
c	14.311 ± 0.005 Å
α	90°
β	92.554 ± 0.008°
γ	90°
Cell volume	1661.9 ± 1 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
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	0.0443
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0597
Weighted residual factors for all reflections included in the refinement	0.0635
Goodness-of-fit parameter for all reflections included in the refinement	0.976
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
178613 (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 4/07/24.	4072446.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072446.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072446.cif
45148	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4072442, 4072443, 4072444, 4072445, 4072446 via cif-deposit CGI script.	4072446.cif