Crystallography Open Database

Information card for entry 7708881

Preview

Coordinates	7708881.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H27 Cl3 N3 P Pt S
Calculated formula	C39 H27 Cl3 N3 P Pt S
SMILES	[Pt]12(c3ccccc3c3sc4ccccc4[n]13)[P](c1ccccc1c1n2c2c(n1)cccc2)(c1ccccc1)c1ccccc1.ClC(Cl)Cl
Title of publication	Efficiently luminescent heteroleptic neutral platinum(II) complexes based on N^O and N^P benzimidazole ligands.
Authors of publication	Zhang, Han; Liu, Chunmei; Yin, Guojie; Du, Chenxia; Zhang, Bin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
a	11.3006 ± 0.0001 Å
b	13.7812 ± 0.0001 Å
c	23.3186 ± 0.0002 Å
α	90°
β	100.573 ± 0.001°
γ	90°
Cell volume	3569.88 ± 0.05 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291.15 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	0.0498
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1262
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
270756 (current)	2021-11-19	cif/ Adding structures of 7708875, 7708876, 7708877, 7708878, 7708879, 7708880, 7708881 via cif-deposit CGI script.	7708881.cif