Crystallography Open Database

Information card for entry 7059122

Preview

Coordinates	7059122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 N6 O4 Sn
Calculated formula	C10 H8 N6 O4 Sn
Title of publication	Packing polymorphism in 3-amino-2-pyrazinecarboxylate based tin(ii) complexes and their catalytic activity towards cyanosilylation of aldehydes
Authors of publication	Karmakar, Anirban; Hazra, Susanta; Rúbio, Guilherme M. D. M.; Guedes da Silva, M. Fátima C.; Pombeiro, Armando J. L.
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	21
Pages of publication	17513
a	8.2366 ± 0.0004 Å
b	9.4181 ± 0.0004 Å
c	16.5098 ± 0.0008 Å
α	90°
β	100.057 ± 0.002°
γ	90°
Cell volume	1261.04 ± 0.1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
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	0.0461
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0651
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
236872 (current)	2019-11-24	cif/ Adding structures of 7059121, 7059122 via cif-deposit CGI script.	7059122.cif