Crystallography Open Database

Information card for entry 4081757

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Structure parameters

Common name	Sad233
Formula	C38 H50 B F15 Mg N2 Si4
Calculated formula	C38 H50 B F15 Mg N2 Si4
SMILES	[Mg]1([N]2(CCCC2)CC[N]12CCCC2)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.C[B](c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
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	13.311 ± 0.002 Å
b	19.888 ± 0.004 Å
c	18.45 ± 0.003 Å
α	90°
β	109.72 ± 0.003°
γ	90°
Cell volume	4597.8 ± 1.4 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1209
Residual factor for significantly intense reflections	0.0505
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.1072
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4081757.cif
178706	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.	4081757.cif
91757	2013-12-13	cif/ Adding structures of 4081753, 4081754, 4081755, 4081756, 4081757 via cif-deposit CGI script.	4081757.cif