Crystallography Open Database

Information card for entry 4346544

Preview

Coordinates	4346544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H29 F6 N5 P2 Pt S
Calculated formula	C33 H29 F6 N5 P2 Pt S
SMILES	[Pt]1(=C2N(C=CN2C)c2c1cc(cc2)C#N)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[S]=C1NC=CN1C.[P](F)(F)(F)(F)(F)[F-]
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	20.129 ± 0.005 Å
b	10.058 ± 0.005 Å
c	16.558 ± 0.005 Å
α	90 ± 0.005°
β	98.479 ± 0.005°
γ	90 ± 0.005°
Cell volume	3316 ± 2 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.024
Weighted residual factors for significantly intense reflections	0.0487
Weighted residual factors for all reflections included in the refinement	0.0513
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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.	4346544.cif