Crystallography Open Database

Information card for entry 4346541

Preview

Coordinates	4346541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H27 Cl N3 O P Pt
Calculated formula	C30 H27 Cl N3 O P Pt
SMILES	[Pt]1(=C2N(c3c1cc(C#N)cc3)C=CN2C)(Cl)[P](c1ccccc1)(c1ccccc1)c1ccccc1.OC
Title of publication	Exploring the Transphobia Effect on Heteroleptic NHC Cycloplatinated Complexes.
Authors of publication	Fuertes, Sara; Chueca, Andrés J; Sicilia, Violeta
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	20
Pages of publication	9885 - 9895
a	19.0125 ± 0.0003 Å
b	7.6921 ± 0.0001 Å
c	19.6958 ± 0.0004 Å
α	90°
β	114.137 ± 0.002°
γ	90°
Cell volume	2628.6 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0294
Residual factor for significantly intense reflections	0.0246
Weighted residual factors for significantly intense reflections	0.0548
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
231832 (current)	2019-11-23	cif/ Adding structures of 4346541, 4346542, 4346543, 4346544, 4346545 via cif-deposit CGI script.	4346541.cif