Crystallography Open Database

Information card for entry 1557017

Preview

Coordinates	1557017.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H33 Cl P2 Pt S
Calculated formula	C40 Cl P2 Pt S
SMILES	[Pt](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)c1sccc1
Title of publication	Crystal and Molecular Structure of trans-Chlorobis(triphenylphosphine)(2-thienyl) Platinum(II)
Authors of publication	Oilunkaniemi, Raija; Niiranen, Marjaana; Laitinen, Risto S.; Ahlgren, Markku; Pursiainen, Jouni
Journal of publication	Acta Chemica Scandinavica
Year of publication	1998
Journal volume	52
Pages of publication	1068 - 1070
a	12.139 ± 0.002 Å
b	12.706 ± 0.003 Å
c	13.335 ± 0.003 Å
α	90.44 ± 0.03°
β	115 ± 0.03°
γ	108.81 ± 0.03°
Cell volume	1739.5 ± 0.9 Å³
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0698
Residual factor for significantly intense reflections	0.052
Weighted residual factors for significantly intense reflections	0.1221
Weighted residual factors for all reflections included in the refinement	0.1258
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
246770 (current)	2020-01-13	cif/ Adding structures of 1557017 via cif-deposit CGI script.	1557017.cif