Crystallography Open Database

Information card for entry 7247926

Preview

Coordinates	7247926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H3 Br O4 Zn
Calculated formula	C8 H3 Br O4 Zn
Title of publication	Torsional flexibility in zinc-benzenedicarboxylate metal-organic frameworks.
Authors of publication	Meekel, Emily G.; Nicholas, Thomas C.; Slater, Ben; Goodwin, Andrew L.
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	5
Pages of publication	673 - 680
a	28.4852 ± 0.0003 Å
b	28.4852 ± 0.0003 Å
c	7.9052 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	5554.97 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0622
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1998
Weighted residual factors for all reflections included in the refinement	0.201
Goodness-of-fit parameter for all reflections included in the refinement	1.133
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
289439 (current)	2024-02-04	cif/ Updating files of 7247925, 7247926, 7247927, 7247928, 7247929, 7247930 Original log message: Adding full bibliography for 7247925--7247930.cif.	7247926.cif
288581	2024-01-01	cif/ Adding structures of 7247925, 7247926, 7247927, 7247928, 7247929, 7247930 via cif-deposit CGI script.	7247926.cif