Crystallography Open Database

Information card for entry 7708875

Preview

Coordinates	7708875.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H32 Cl2 N3 O2 P Pt S
Calculated formula	C40 H32 Cl2 N3 O2 P Pt S
SMILES	[Pt]12(c3ccccc3c3sc4c([n]13)cccc4)[O]=P(c1ccccc1c1n2c2c(n1)cccc2)(c1ccccc1)c1ccccc1.ClCCl.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	11.946 ± 0.006 Å
b	12.473 ± 0.003 Å
c	12.753 ± 0.004 Å
α	89.885 ± 0.009°
β	78.801 ± 0.014°
γ	72.895 ± 0.015°
Cell volume	1778.5 ± 1.2 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0315
Residual factor for significantly intense reflections	0.029
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.0767
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
270756 (current)	2021-11-19	cif/ Adding structures of 7708875, 7708876, 7708877, 7708878, 7708879, 7708880, 7708881 via cif-deposit CGI script.	7708875.cif