Crystallography Open Database

Information card for entry 7708878

Preview

Coordinates	7708878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H33 Cl3 N3 O3 P Pt S
Calculated formula	C41 H33 Cl3 N3 O3 P Pt S
SMILES	[Pt]12(c3ccccc3c3sc4c([n]13)cccc4)[O]=P(c1ccccc1c1n2c2cccc(OC)c2n1)(c1ccccc1)c1ccccc1.ClC(Cl)Cl.OC
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	14.02219 ± 0.00007 Å
b	13.1326 ± 0.00006 Å
c	21.37276 ± 0.0001 Å
α	90°
β	100.17 ± 0.0004°
γ	90°
Cell volume	3873.91 ± 0.03 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	8
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	0.0288
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0719
Weighted residual factors for all reflections included in the refinement	0.0725
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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.	7708878.cif