Crystallography Open Database

Information card for entry 1571111

Preview

Coordinates	1571111.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al F5 H14 Ni O7
Calculated formula	Al F5 H14 Ni O7
Title of publication	Polymorphisms in M2+AlF5(H2O)7 (M2+ = Fe2+, Co2+, or Ni2+): Syntheses, Crystal Structures, and Characterization of New Mixed Metal Fluoride Hydrates
Authors of publication	Seo, Jun Min; Jo, Hongil; Choi, Myung Ho; Ok, Kang Min; Chang, Hong Young; Kim, Sun Woo
Journal of publication	Crystals
Year of publication	2024
Journal volume	14
Journal issue	2
Pages of publication	197
a	10.788 ± 0.0004 Å
b	13.6952 ± 0.0004 Å
c	6.4554 ± 0.0002 Å
α	90°
β	100.151 ± 0.0014°
γ	90°
Cell volume	938.82 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0434
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.0945
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
290296 (current)	2024-03-05	cif/ Adding structures of 1571109, 1571110, 1571111, 1571112, 1571113, 1571114 via cif-deposit CGI script.	1571111.cif