Crystallography Open Database

Information card for entry 7709321

Preview

Coordinates	7709321.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tBu-PBP-Pt-SPh
Formula	C30 H45 B N2 P2 Pt S
Calculated formula	C30 H45 B N2 P2 Pt S
SMILES	[Pt]12([P](CN3B2N(c2c3cccc2)C[P]1(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)Sc1ccccc1
Title of publication	Platinum thiolate complexes supported by PBP and POCOP pincer ligands as efficient catalysts for the hydrosilylation of carbonyl compounds
Authors of publication	Xue, Man-Man; Chang, Jiarui; Zhang, Jie; Chen, Xuenian
Journal of publication	Dalton Transactions
Year of publication	2022
a	12.8734 ± 0.0001 Å
b	17.4918 ± 0.0002 Å
c	14.8878 ± 0.0002 Å
α	90°
β	103.578 ± 0.001°
γ	90°
Cell volume	3258.72 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0632
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1682
Weighted residual factors for all reflections included in the refinement	0.1732
Goodness-of-fit parameter for all reflections included in the refinement	1.158
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
272117 (current)	2022-01-19	cif/ Adding structures of 7709318, 7709319, 7709320, 7709321 via cif-deposit CGI script.	7709321.cif