Crystallography Open Database

Information card for entry 7016743

Preview

Coordinates	7016743.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 Br2 N Pt S
Calculated formula	C25 H27 Br2 N Pt S
SMILES	[Pt]1(Br)([S](CC)CC)[N](=Cc2c(c3c1cc(cc3)C)cccc2)Cc1c(Br)cccc1
Title of publication	Biaryl formation in the synthesis of endo and exo-platinacycles.
Authors of publication	Crespo, Margarita; Font-Bardia, Mercè; Calvet, Teresa
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	37
Pages of publication	9431 - 9438
a	10.039 ± 0.004 Å
b	10.075 ± 0.006 Å
c	12.819 ± 0.005 Å
α	90.85 ± 0.02°
β	103.59 ± 0.03°
γ	90.42 ± 0.03°
Cell volume	1260 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0358
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0934
Goodness-of-fit parameter for all reflections included in the refinement	1.129
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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