Crystallography Open Database

Information card for entry 7234936

Preview

Coordinates	7234936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H13 Cl4 N3 O Sn
Calculated formula	C9 H13 Cl4 N3 O Sn
Title of publication	Monitoring the hydrogen bond net configuration and the dimensionality of aniline and phenyloxamate by adding 1H-pyrazole and isoxazole as substituents for molecular self-recognition
Authors of publication	Oliveira, Willian X. C.; do Pim, Walace D.; Pinheiro, Carlos B.; Journaux, Yves; Julve, Miguel; Pereira, Cynthia L. M.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	17
Pages of publication	2818
a	7.006 ± 0.005 Å
b	9.684 ± 0.005 Å
c	11.987 ± 0.005 Å
α	69.91 ± 0.005°
β	89.44 ± 0.005°
γ	84.97 ± 0.005°
Cell volume	760.7 ± 0.7 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1083
Residual factor for significantly intense reflections	0.0743
Weighted residual factors for significantly intense reflections	0.1708
Weighted residual factors for all reflections included in the refinement	0.204
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
223248 (current)	2019-11-05	cif/ Adding structures of 7234936, 7234937, 7234938, 7234939, 7234940 via cif-deposit CGI script.	7234936.cif