Crystallography Open Database

Information card for entry 1543981

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Structure parameters

Chemical name	(18-Crown-6-κ^6^<i>O</i>){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^]azanido-κ<i>N</i>}potassium(I)
Formula	C23 H46 K N3 O6 Si2
Calculated formula	C23 H46 K N3 O6 Si2
SMILES	[Si]([N-]c1nc(N[Si](C)(C)C)ccc1)(C)(C)C.[K]12345[O]6CC[O]1CC[O]2CC[O]3CC[O]4CC[O]5CC6
Title of publication	(18-Crown-6-κ^6^<i>O</i>){(trimethylsilyl)[6-(trimethylsilylamino)pyridin-2-yl-κ<i>N</i>^1^]azanido-κ<i>N</i>}potassium(I)
Authors of publication	Toney, Sydney E.; Hillesheim, Patrick C.; Guillet, Gary L.
Journal of publication	IUCrData
Year of publication	2016
Journal volume	1
Journal issue	8
Pages of publication	x161338
a	20.3301 ± 0.001 Å
b	17.4558 ± 0.0006 Å
c	20.5691 ± 0.0011 Å
α	90°
β	119.399 ± 0.007°
γ	90°
Cell volume	6359.5 ± 0.7 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0753
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1543981.cif 1543981.hkl
186047	2016-08-27	cif/ hkl/ Adding structures of 1543981 via cif-deposit CGI script.	1543981.cif 1543981.hkl