Crystallography Open Database

Information card for entry 4337102

Preview

Coordinates	4337102.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Diiodo-(1,1'-dipentyl-3,3'-methylene-bis(benzimidazoline)-2,2'-diylidene) -platinum(II) dichloromethane and methanol solvate 3/1/1
Formula	C25.67 H34 Cl0.67 I2 N4 O0.33 Pt
Calculated formula	C24.6666 H31.0002 Cl0.6666 I2 N4 O0.3333 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	17.5075 ± 0.0002 Å
b	17.5075 ± 0.0002 Å
c	16.9453 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	4498.09 ± 0.09 Å³
Cell temperature	183.1 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	7
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1024
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.12
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.	4337102.cif
106159	2014-03-15	cif/ Adding structures of 4337102, 4337103, 4337104, 4337105 via cif-deposit CGI script.	4337102.cif