Crystallography Open Database

Information card for entry 4081756

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Structure parameters

Formula	C25 H53 I Mg N2 Si4
Calculated formula	C25 H53 I Mg N2 Si4
SMILES	I[Mg]1([N]2(CCCC2)CC[N]21CCCC2)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C.c1ccccc1
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	9.136 ± 0.002 Å
b	11.932 ± 0.003 Å
c	32.312 ± 0.007 Å
α	90°
β	95.298 ± 0.003°
γ	90°
Cell volume	3507.3 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0658
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0998
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	4081756.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.	4081756.cif
91757	2013-12-13	cif/ Adding structures of 4081753, 4081754, 4081755, 4081756, 4081757 via cif-deposit CGI script.	4081756.cif