Crystallography Open Database

Information card for entry 2011550

2011549 << 2011550 >> 2011551

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Coordinates	2011550.cif
Original IUCr paper	HTML

Structure parameters

Formula	C32 H44 Br2 N6 Si
Calculated formula	C32 H44 Br2 N6 Si
SMILES	C(#N)C.[Br-].c1c(cc(c[n]1[SiH2]([n]1cc(cc(c1)C)C)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C)C)C.C(#N)C.[Br-]
Title of publication	Tetrakis(3,5-dimethylpyridine)dihydridosilicon dibromide bis(acetonitrile) solvate and 3,5-dimethylpyridinium bromide
Authors of publication	Bolte, Michael; Hensen, Karl; Faber, Alexander
Journal of publication	Acta Crystallographica Section C
Year of publication	2000
Journal volume	56
Journal issue	11
Pages of publication	e524 - e525
a	9.636 ± 0.002 Å
b	11.237 ± 0.002 Å
c	16.242 ± 0.003 Å
α	90°
β	94.49 ± 0.01°
γ	90°
Cell volume	1753.3 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
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	0.076
Residual factor for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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