Crystallography Open Database

Information card for entry 4073667

Preview

Coordinates	4073667.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H38 Br N3 P2 Pt
Calculated formula	C23 H38 Br N3 P2 Pt
SMILES	[Pt](Br)([P](CC)(CC)CC)([P](CC)(CC)CC)c1ccc(cc1)N=Nc1ccncc1
Title of publication	From Azobenzene Coordination to Aryl−Halide Bond Activation by Platinum
Authors of publication	Zenkina, Olena; Altman, Marc; Leitus, Gregory; Shimon, Linda J. W.; Cohen, Revital; van der Boom, Milko E.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	18
Pages of publication	4528
a	6.993 ± 0.0014 Å
b	28.041 ± 0.006 Å
c	13.723 ± 0.003 Å
α	90°
β	94.46 ± 0.03°
γ	90°
Cell volume	2682.8 ± 1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0298
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.064
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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