Crystallography Open Database

Information card for entry 2244228

Preview

Coordinates	2244228.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[bis(2-amino-4-methylpyridinium) [tetra-μ~3~-phosphonato-trizinc] monohydrate]
Formula	C12 H24 N4 O13 P4 Zn3
Calculated formula	C12 H24 N4 O13 P4 Zn3
Title of publication	Consistent zincophosphite 4-ring 'ladder' chain structural motif with isomeric ligands.
Authors of publication	Wark, Stephen; Lyons, Megan J.; Slawin, Alexandra M. Z.; Harrison, William T. A.
Journal of publication	Acta crystallographica. Section E, Crystallographic communications
Year of publication	2023
Journal volume	79
Journal issue	Pt 4
Pages of publication	272 - 279
a	9.03805 ± 0.00013 Å
b	9.36837 ± 0.00013 Å
c	15.0207 ± 0.0002 Å
α	81.0313 ± 0.0001°
β	88.0646 ± 0.0001°
γ	80.0782 ± 0.0001°
Cell volume	1237.46 ± 0.03 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 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	0.0311
Residual factor for significantly intense reflections	0.0308
Weighted residual factors for significantly intense reflections	0.0846
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.104
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283587 (current)	2023-05-06	cif/ Updating files of 2244225, 2244226, 2244227, 2244228, 2244229 Original log message: Adding full bibliography for 2244225--2244229.cif.	2244228.cif
281862	2023-03-14	cif/ hkl/ Adding structures of 2244225, 2244226, 2244227, 2244228, 2244229 via cif-deposit CGI script.	2244228.cif