Crystallography Open Database

Information card for entry 7247928

Preview

Coordinates	7247928.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H8 O5 Zn
Calculated formula	C10 H8 O5 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	11.0562 ± 0.0002 Å
b	12.6155 ± 0.0002 Å
c	15.2102 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2121.51 ± 0.07 Å³
Cell temperature	295.15 K
Ambient diffraction temperature	295.15 K
Number of distinct elements	4
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0761
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
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.	7247928.cif
288581	2024-01-01	cif/ Adding structures of 7247925, 7247926, 7247927, 7247928, 7247929, 7247930 via cif-deposit CGI script.	7247928.cif