Crystallography Open Database

Information card for entry 2300756

Preview

Coordinates	2300756.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	manganese terephthalate dihydrate
Formula	C8 H8 Mn O6
Calculated formula	C8 H8 Mn O6
Title of publication	A comparison of microcrystal electron diffraction and X-ray powder diffraction for the structural analysis of metal-organic frameworks.
Authors of publication	Biehler, Erik; Pagola, Silvina; Stam, Daniel; Merkelbach, Johannes; Jandl, Christian; Abdel-Fattah, Tarek M
Journal of publication	Journal of applied crystallography
Year of publication	2025
Journal volume	58
Journal issue	Pt 2
Pages of publication	398 - 411
a	18.71 ± 0.08 Å
b	6.57 ± 0.03 Å
c	7.37 ± 0.03 Å
α	90°
β	99.27 ± 0.013°
γ	90°
Cell volume	894 ± 7 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.197
Residual factor for significantly intense reflections	0.1817
Weighted residual factors for significantly intense reflections	0.4498
Weighted residual factors for all reflections included in the refinement	0.4608
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.02851 Å
Diffraction radiation type	electron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
299192 (current)	2025-04-05	cif/ Updating files of 2300754, 2300755, 2300756 Original log message: Adding full bibliography for 2300754--2300756.cif.	2300756.cif
297933	2025-03-01	cif/ Adding structures of 2300754, 2300755, 2300756 via cif-deposit CGI script.	2300756.cif