Crystallography Open Database

Information card for entry 4109204

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Coordinates	4109204.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	SMK001
Chemical name	SMK001
Formula	C34 H48 N2 Pt
Calculated formula	C34 H48 N2 Pt
SMILES	[Pt]1([N](=Cc2ccccc2N1c1c(cccc1C(C)C)C(C)C)c1c(C(C)C)cccc1C(C)C)(C)(C)C
Title of publication	Competitive C-H Bond Activation and β-Hydride Elimination at Platinum(II)
Authors of publication	Susan M. Kloek; Karen I. Goldberg
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	3460 - 3461
a	16.408 ± 0.0005 Å
b	11.501 ± 0.0005 Å
c	17.164 ± 0.0006 Å
α	90°
β	107.08 ± 0.002°
γ	90°
Cell volume	3096.1 ± 0.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1044
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.0667
Weighted residual factors for all reflections included in the refinement	0.0794
Goodness-of-fit parameter for all reflections included in the refinement	0.938
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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