Crystallography Open Database

Information card for entry 4306657

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Coordinates	4306657.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H42 N2 O Sn
Calculated formula	C28 H42 N2 O Sn
SMILES	[Sn]12N(c3c(cccc3C(C)C)C(C)C)CC[O]2CCN1c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and Structural Characterization of Tin Analogues of N-Heterocyclic Carbenes
Authors of publication	Stephen M. Mansell; Christopher A. Russell; Duncan F. Wass
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	11367 - 11375
a	12.5897 ± 0.0014 Å
b	17.5722 ± 0.0018 Å
c	12.2886 ± 0.0013 Å
α	90°
β	97.805 ± 0.005°
γ	90°
Cell volume	2693.4 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0396
Residual factor for significantly intense reflections	0.0262
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	0.832
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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