Crystallography Open Database

Information card for entry 4081755

Preview

Coordinates	4081755.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Sad237
Formula	C31 H49 B F10 Mg N2 Si4
Calculated formula	C31 H49 B F10 Mg N2 Si4
SMILES	[Mg]12([H][B]([H]1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)([N]1(CCCC1)CC[N]12CCCC1)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Nucleophilicity of Neutral versus Cationic Magnesium Silyl Compounds
Authors of publication	Yan, KaKing; Upton, Brianna M.; Zhu, Jing; Ellern, Arkady; Sadow, Aaron D.
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	22
Pages of publication	6834
a	11.6998 ± 0.0014 Å
b	18.478 ± 0.002 Å
c	18.553 ± 0.002 Å
α	90°
β	96.818 ± 0.002°
γ	90°
Cell volume	3982.6 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.099
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.2058
Weighted residual factors for all reflections included in the refinement	0.2277
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178706 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/17.	4081755.cif
91757	2013-12-13	cif/ Adding structures of 4081753, 4081754, 4081755, 4081756, 4081757 via cif-deposit CGI script.	4081755.cif