Crystallography Open Database

Information card for entry 2022822

2022821 << 2022822 >> 2022823

Preview

Coordinates	2022822.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[(acetonitrile-κ<i>N</i>)(μ~3~-7-{[bis(pyridin-2-ylmethyl)amino]methyl}-8-hydroxyquinoline-5-sulfonato-κ^4^<i>N</i>,<i>O</i>:<i>O</i>':<i>O</i>'')sodium]
Formula	C24 H22 N5 Na O4 S
Calculated formula	C24 H22 N5 Na O4 S
Title of publication	Crystal structure of poly[(acetonitrile-κN)(μ3-7-{[bis(pyridin-2-ylmethyl)amino]methyl}-8-hydroxyquinoline-5-sulfonato-κ4 N,O:O′:O′′)sodium]
Authors of publication	Kubono, Koji; Tanaka, Ryoichi; Kashiwagi, Yukiyasu; Tani, Keita; Yokoi, Kunihiko
Journal of publication	Acta Crystallographica Section E Crystallographic Communications
Year of publication	2023
Journal volume	79
Journal issue	8
a	10.4951 ± 0.0004 Å
b	14.1401 ± 0.0005 Å
c	16.9249 ± 0.0006 Å
α	90°
β	106.378 ± 0.008°
γ	90°
Cell volume	2409.77 ± 0.18 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.0706
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0932
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.014
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
285221 (current)	2023-07-15	cif/ hkl/ Adding structures of 2022822 via cif-deposit CGI script.	2022822.cif