Crystallography Open Database

Information card for entry 7226661

Preview

Coordinates	7226661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H31 N7 O6 S2 Sn
Calculated formula	C35 H31 N7 O6 S2 Sn
SMILES	c1cc(C2=N[N]3=C(C)c4[n]5[Sn]63(O2)(c2ccccc2)(c2ccccc2)[N](=C(C)c5ccc4)N=C(c2c(cccc2)S(=O)(=O)N)O6)c(cc1)S(=O)(=O)N
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	14.6879 ± 0.0003 Å
b	18.3871 ± 0.0004 Å
c	12.6439 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3414.71 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0309
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0566
Weighted residual factors for all reflections included in the refinement	0.0586
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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.	7226661.cif
186811	2016-09-28	cif/ Adding structures of 7226658, 7226659, 7226660, 7226661 via cif-deposit CGI script.	7226661.cif