Crystallography Open Database

Information card for entry 4084860

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Coordinates	4084860.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H38 B Br Cl2 F4 N2 P2 Pt
Calculated formula	C44 H38 B Br Cl2 F4 N2 P2 Pt
Title of publication	Synthesis of Complexes with Protic NH,NH-NHC Ligands via Oxidative Addition of 2-Halogenoazoles to Zero-Valent Transition Metals
Authors of publication	Das, Rajorshi; Hepp, Alexander; Daniliuc, Constantin G.; Hahn, F. Ekkehardt
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	23
Pages of publication	6975
a	19.5219 ± 0.0002 Å
b	11.8326 ± 0.0001 Å
c	18.6785 ± 0.0002 Å
α	90°
β	102.512 ± 0.001°
γ	90°
Cell volume	4212.17 ± 0.07 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	9
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	0.0378
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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