Crystallography Open Database

Information card for entry 2023238

2023237 << 2023238 >> 2023239

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Coordinates	2023238.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(1,4,7,10,13,16-Hexaoxacyclooctadecane-1κ^6^<i>O</i>)(μ-oxalato-1κ^2^<i>O</i>^1^,<i>O</i>^2^:2κ^2^<i>O</i>^1'^,<i>O</i>^2'^)triphenyl-2κ^3^<i>C</i>-potassium(I)tin(IV)
Formula	C32 H39 K O10 Sn
Calculated formula	C32 H39 K O10 Sn
SMILES	[Sn]1(OC2=[O][K]34567(OC2=[O]1)[O]1CC[O]3CC[O]4CC[O]5CC[O]6CC[O]7CC1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Crystal structure of (1,4,7,10,13,16-hexaoxacyclooctadecane-κ6 O)potassium-μ-oxalato-triphenylstannate(IV), the first reported 18-crown-6-stabilized potassium salt of triphenyloxalatostannate
Authors of publication	Song, Xueqing; Li, William; Torres, Yolanda; Greaves, Tazena
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2024
Journal volume	80
Journal issue	9
a	9.406 ± 0.0003 Å
b	19.3779 ± 0.0004 Å
c	9.4225 ± 0.0003 Å
α	90°
β	97.925 ± 0.002°
γ	90°
Cell volume	1701.02 ± 0.08 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100.15 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0368
Residual factor for significantly intense reflections	0.0327
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.1049
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
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
294162 (current)	2024-08-17	cif/ Adding structures of 2023238 via cif-deposit CGI script.	2023238.cif