Crystallography Open Database

Information card for entry 4075644

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Coordinates	4075644.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	hydridotungstenocene di-tert-butylstannyl chloride
Formula	C18 H29 Cl Sn W
Calculated formula	C18 H29 Cl Sn W
SMILES	[WH]12345678([Sn](Cl)(C(C)(C)C)C(C)(C)C)([cH]9[cH]4[cH]3[cH]2[cH]19)[cH]1[cH]5[cH]6[cH]7[cH]81
Title of publication	1JWSnas a Solution State Predictor for Tungsten−Tin Solid State Bond Length in Sterically Crowded Tungstenocene Stannyl Complexes
Authors of publication	Mobley, T. Andrew; Gandour, Rochelle; Gillis, Eric P.; Nti-Addae, Kwame; Palchaudhuri, Rahul; Rajbhandari, Presha; Tomson, Neil; Vargas, Angel; Zheng, Qi
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	16
Pages of publication	3897
a	9.93 ± 0.002 Å
b	14.232 ± 0.003 Å
c	13.832 ± 0.003 Å
α	90°
β	96.21 ± 0.03°
γ	90°
Cell volume	1943.3 ± 0.7 Å³
Cell temperature	190 ± 2 K
Ambient diffraction temperature	190 ± 2 K
Number of distinct elements	5
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	0.044
Residual factor for significantly intense reflections	0.035
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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

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