Crystallography Open Database

Information card for entry 7249335

Preview

Coordinates	7249335.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H36 F12.98 Ho12 N12 O51.02
Calculated formula	C96 H36 F13 Ho12 N12 O51
Title of publication	Synthesis and characterization of holmium based metal–organic frameworks
Authors of publication	Abbas, Muhammad; Degani, Murtaza; Sheybani, Simin; Shah, Tejas; Joy, Monu; Balkus, Kenneth J.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	39
Pages of publication	5567 - 5573
a	18.0917 ± 0.0005 Å
b	18.0917 ± 0.0005 Å
c	45.523 ± 0.002 Å
α	90°
β	90°
γ	120°
Cell volume	12903.9 ± 0.8 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0958
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	1.196
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296468 (current)	2024-12-06	cif/ Updating files of 7249334, 7249335 Original log message: Adding full bibliography for 7249334--7249335.cif.	7249335.cif
294759	2024-09-15	cif/ Adding structures of 7249334, 7249335 via cif-deposit CGI script.	7249335.cif