Crystallography Open Database

Information card for entry 7711798

Preview

Coordinates	7711798.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H27 N3 Sn
Calculated formula	C19 H27 N3 Sn
SMILES	[Sn]1([N](=C2C=CC=CC=C2N1CC(C)C)CC(C)C)n1cccc1
Title of publication	Stannylene cyanide and its use as a cyanosilylation catalyst.
Authors of publication	Singh, Vivek Kumar; Joshi, Prakash Chandra; Kumar, Hemant; Siwatch, Rahul Kumar; Jha, Chandan Kumar; Nagendran, Selvarajan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	44
Pages of publication	16906 - 16914
a	9.766 ± 0.002 Å
b	10.098 ± 0.002 Å
c	10.208 ± 0.002 Å
α	97.537 ± 0.007°
β	106.002 ± 0.007°
γ	96.018 ± 0.007°
Cell volume	948.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.95 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	0.026
Residual factor for significantly intense reflections	0.025
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0717
Goodness-of-fit parameter for all reflections included in the refinement	1.0356
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
279338 (current)	2022-11-17	cif/ Adding structures of 7711797, 7711798, 7711799, 7711800 via cif-deposit CGI script.	7711798.cif