Crystallography Open Database

Information card for entry 1549207

Preview

Coordinates	1549207.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H28 N P Pt
Calculated formula	C33 H28 N P Pt
SMILES	[Pt]1(c2cccc3ccc4ccc[n]1c4c23)([P](c1ccccc1)(c1ccccc1)C)c1ccc(C)cc1
Title of publication	Influence of ancillary ligands on the photophysical properties of cyclometalated organoplatinum(ii) complexes
Authors of publication	Samandar Sangari, Mozhgan; Golbon Haghighi, Mohsen; Nabavizadeh, S. Masoud; Pfitzner, Arno; Rashidi, Mehdi
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	11
Pages of publication	8661
a	10.8827 ± 0.0003 Å
b	11.0853 ± 0.0004 Å
c	11.3916 ± 0.0002 Å
α	95.334 ± 0.002°
β	100.076 ± 0.0018°
γ	99.549 ± 0.002°
Cell volume	1323.75 ± 0.07 Å³
Cell temperature	122.99 ± 0.1 K
Ambient diffraction temperature	122.99 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0208
Residual factor for significantly intense reflections	0.0177
Weighted residual factors for significantly intense reflections	0.0449
Weighted residual factors for all reflections included in the refinement	0.0459
Goodness-of-fit parameter for significantly intense reflections	1.34
Goodness-of-fit parameter for all reflections included in the refinement	1.33
Diffraction radiation probe	x-ray
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
230542 (current)	2019-11-17	cif/ Updating files of 1549205, 1549206, 1549207 Original log message: Adding full bibliography for 1549205--1549207.cif.	1549207.cif
207237	2018-04-05	cif/ Adding structures of 1549205, 1549206, 1549207 via cif-deposit CGI script.	1549207.cif