Crystallography Open Database

Information card for entry 4306656

Preview

Coordinates	4306656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H52 N4 Sn2
Calculated formula	C40 H52 N4 Sn2
SMILES	c1(c(cc(cc1C)C)C)[N]12CCN(c3c(cc(cc3C)C)C)[Sn]1[N]1(c3c(cc(cc3C)C)C)CCN(c3c(cc(cc3C)C)C)[Sn]21
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	8.828 ± 0.004 Å
b	9.958 ± 0.004 Å
c	11.879 ± 0.005 Å
α	66.3 ± 0.03°
β	74.13 ± 0.03°
γ	68.21 ± 0.05°
Cell volume	878.4 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0811
Residual factor for significantly intense reflections	0.0665
Weighted residual factors for significantly intense reflections	0.1351
Weighted residual factors for all reflections included in the refinement	0.1467
Goodness-of-fit parameter for all reflections included in the refinement	1.249
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4306656.html