Crystallography Open Database

Information card for entry 7112050

7112049 << 7112050 >> 7112051

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Coordinates	7112050.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H42 B2 N4 P2 Pt
Calculated formula	C50 H42 B2 N4 P2 Pt
SMILES	B12N(c3c(N1C[P](c1ccccc1)(c1ccccc1)[Pt]12B2N(c4c(N2C[P]1(c1ccccc1)c1ccccc1)cccc4)c1ccccc1)cccc3)c1ccccc1
Title of publication	A bidentate boryl ligand: syntheses of platinum and iridium complexes
Authors of publication	H. Schubert; W. Leis; H. A. Mayer; L. Wesemann
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	2738
a	12.2156 ± 0.0004 Å
b	12.5195 ± 0.0005 Å
c	13.8368 ± 0.0005 Å
α	90°
β	104.242 ± 0.002°
γ	90°
Cell volume	2051.07 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0216
Residual factor for significantly intense reflections	0.0195
Weighted residual factors for significantly intense reflections	0.0435
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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