Crystallography Open Database

Information card for entry 4073906

Preview

Coordinates	4073906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H67 Br3 P4 Pt2
Calculated formula	C40 H67 Br3 P4 Pt2
SMILES	[Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1cc(Br)c2ccc3ccc([Pt](Br)([P](CC)(CC)CC)[P](CC)(CC)CC)c4ccc1c2c34
Title of publication	Attaching Gold and Platinum to the Rim of Pyrene: A Synthetic and Spectroscopic Study
Authors of publication	Heng, Wendy Yuqing; Hu, Jian; Yip, John H. K.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	27
Pages of publication	6760
a	38.218 ± 0.003 Å
b	9.4235 ± 0.0007 Å
c	13.5115 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	4866.1 ± 0.6 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.089
Residual factor for significantly intense reflections	0.0776
Weighted residual factors for significantly intense reflections	0.1688
Weighted residual factors for all reflections included in the refinement	0.1734
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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