Crystallography Open Database

Information card for entry 7111535

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Structure parameters

Chemical name	tetrafluorosilicon(IV)-N-(chloromethyl)-2- {[2-(dimethylamino)ethyl](methyl)amino}-N,N-dimethylethanaminium pentafluorosilicon(IV)
Formula	C10 H25 Cl F9 N3 Si2
Calculated formula	C10 H25 Cl F9 N3 Si2
SMILES	ClC[N+](CC[N]1([Si](F)(F)(F)(F)[N](C)(C)CC1)C)(C)C.[Si](F)(F)(F)(F)[F-]
Title of publication	Preparation and structure of the unique silicon(iv) cation [SiF3(Me3tacn)]+
Authors of publication	Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian
Journal of publication	Chemical Communications
Year of publication	2009
Journal issue	11
Pages of publication	1334 - 1336
a	6.9707 ± 0.0015 Å
b	11.533 ± 0.002 Å
c	12.264 ± 0.002 Å
α	107.672 ± 0.01°
β	95.625 ± 0.01°
γ	98.336 ± 0.01°
Cell volume	918.9 ± 0.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.0819
Weighted residual factors for significantly intense reflections	0.2012
Weighted residual factors for all reflections included in the refinement	0.2366
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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
301857 (current)	2025-08-22	Add cross-references to PubChem compounds in COD range 7/11/ Each referenced PubChem compound corresponds to the full crystal structure.	7111535.cif
180229	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111535.cif
96626	2014-01-29	cif/ Adding structures of 7111533, 7111534, 7111535 via cif-deposit CGI script.	7111535.cif