Crystallography Open Database

Information card for entry 7711800

Preview

Coordinates	7711800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H50 N6 O2 Sn2
Calculated formula	C34 H50 N6 O2 Sn2
SMILES	[Sn]12([O](CC#N)[Sn]3([O]2CC#N)[N](CC(C)C)=C2C=CC=CC=C2N3CC(C)C)[N](CC(C)C)=C2C=CC=CC=C2N1CC(C)C
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	7.188 ± 0.0008 Å
b	18.634 ± 0.002 Å
c	27.924 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3740.2 ± 0.7 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0766
Goodness-of-fit parameter for all reflections included in the refinement	1.0595
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.	7711800.cif