Crystallography Open Database

Information card for entry 4337103

Preview

Coordinates	4337103.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(4-Fluorophenylethynyl)-(1,1'-dipentyl-3,3'-methylene-bis(benzimidazoline) -2,2'-diylidene)-platinum(II) methanol water solvate 1/1/1
Formula	C42 H46 F2 N4 O2 Pt
Calculated formula	C42 H46 F2 N4 O2 Pt
Title of publication	Tuning the Luminescent Properties of Pt(II) Acetylide Complexes through Varying the Electronic Properties of N-Heterocyclic Carbene Ligands.
Authors of publication	Zhang, Yuzhen; Clavadetscher, Jessica; Bachmann, Michael; Blacque, Olivier; Venkatesan, Koushik
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	756 - 771
a	13.7433 ± 0.0002 Å
b	21.0614 ± 0.0003 Å
c	13.1858 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3816.67 ± 0.08 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.058
Residual factor for significantly intense reflections	0.0347
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0653
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179474 (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 4/33/71.	4337103.cif
106159	2014-03-15	cif/ Adding structures of 4337102, 4337103, 4337104, 4337105 via cif-deposit CGI script.	4337103.cif