Crystallography Open Database

Information card for entry 7016745

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Coordinates	7016745.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H35 Br N P Pt
Calculated formula	C40 H35 Br N P Pt
SMILES	[Pt]1(c2cccc(c2C=[N]1Cc1ccccc1c1ccc(cc1)C)C)(Br)[P](c1ccccc1)(c1ccccc1)c1ccccc1
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	9.683 ± 0.005 Å
b	9.885 ± 0.004 Å
c	17.635 ± 0.007 Å
α	85.59 ± 0.02°
β	82.01 ± 0.02°
γ	82.75 ± 0.02°
Cell volume	1655.2 ± 1.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0359
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0888
Weighted residual factors for all reflections included in the refinement	0.0927
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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