Crystallography Open Database

Information card for entry 7226659

Preview

Coordinates	7226659.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H29 N7 O7 S2 Sn
Calculated formula	C25 H29 N7 O7 S2 Sn
SMILES	[Sn]1234(OC(=N[N]2=C(C)c2[n]3c(ccc2)C(=[N]4N=C(O1)c1ccccc1S(=O)(=O)N)C)c1c(S(=O)(=O)N)cccc1)(C)C.O
Title of publication	Directing effects of aminosulfonyl groups on the crystal packing of tin and lead complexes
Authors of publication	Sousa-Pedrares, Antonio; Crespo, Augusto; Durán, María L.; García-Vázquez, José A.
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	43
Pages of publication	8419
a	14.5188 ± 0.0004 Å
b	7.6162 ± 0.0002 Å
c	27.7076 ± 0.0007 Å
α	90°
β	102.505 ± 0.002°
γ	90°
Cell volume	2991.17 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0603
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0735
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.102
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
188082 (current)	2016-11-08	cif/ Updating files of 7226658, 7226659, 7226660, 7226661 Original log message: Adding full bibliography for 7226658--7226661.cif.	7226659.cif
186811	2016-09-28	cif/ Adding structures of 7226658, 7226659, 7226660, 7226661 via cif-deposit CGI script.	7226659.cif