Crystallography Open Database

Information card for entry 4065051

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Structure parameters

Formula	C47 H44 B N Si
Calculated formula	C47 H44 B N Si
SMILES	[Si](c1ccc(B(c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)cc1)(c1ccccc1)(c1ccccc1)c1ccc(cc1)c1ncccc1
Title of publication	Nonconjugated Dimesitylboryl-Functionalized Phenylpyridines and Their Cyclometalated Platinum(II) Complexes
Authors of publication	Hudson, Zachary M.; Wang, Suning
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	17
Pages of publication	4695
a	11.148 ± 0.008 Å
b	13.357 ± 0.01 Å
c	13.864 ± 0.011 Å
α	72.748 ± 0.009°
β	75.411 ± 0.01°
γ	87.04 ± 0.01°
Cell volume	1907 ± 2 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1591
Residual factor for significantly intense reflections	0.0942
Weighted residual factors for significantly intense reflections	0.2315
Weighted residual factors for all reflections included in the refinement	0.2854
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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