Crystallography Open Database

Information card for entry 7226694

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Coordinates	7226694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H52 Cl2 F6 N3 P3 Pt2 S
Calculated formula	C64 H52 Cl2 F6 N3 P3 Pt2 S
SMILES	[Pt]1(c2c(c3[n]1cccc3)cccc2)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[n]1ccccc1S[Pt]1(c2c(c3[n]1cccc3)cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl
Title of publication	Carbon‒Sulfur Bond Reductive Coupling from a Platinum(II) Thiolate Complex
Authors of publication	Niazi, Maryam; Shahsavari, Hamid R.; Golbon Haghighi, Mohsen; Halvagar, Mohammad Reza; Hatami, Samaneh; Notash, Behrouz
Journal of publication	RSC Adv.
Year of publication	2016
a	20.818 ± 0.004 Å
b	10.72 ± 0.002 Å
c	27.89 ± 0.006 Å
α	90°
β	98.7 ± 0.03°
γ	90°
Cell volume	6153 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.1467
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.105
Weighted residual factors for all reflections included in the refinement	0.1221
Goodness-of-fit parameter for all reflections included in the refinement	0.803
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
186877 (current)	2016-10-01	cif/ Adding structures of 7226691, 7226692, 7226693, 7226694 via cif-deposit CGI script.	7226694.cif