Crystallography Open Database

Information card for entry 4121863

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Coordinates	4121863.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H38 B Br Cl F4 N5 P2 Pt
Calculated formula	C42.5 H37 B Br Cl F4 N5 P2 Pt
Title of publication	A Versatile Methodology for the Regioselective C(8)-Metalation of Purine Bases.
Authors of publication	Brackemeyer, Dirk; Hervé, Alexandre; Schulte To Brinke, Christian; Jahnke, Mareike C.; Hahn, F. Ekkehardt
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	22
Pages of publication	7841
a	10.4325 ± 0.0003 Å
b	20.1777 ± 0.0007 Å
c	20.2332 ± 0.0006 Å
α	89.468 ± 0.002°
β	85.019 ± 0.002°
γ	85.419 ± 0.002°
Cell volume	4229.5 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0807
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1218
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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