Crystallography Open Database

Information card for entry 7247457

Preview

Coordinates	7247457.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H29 Mn2 N10 O13
Calculated formula	C24 H28 Mn2 N10 O13
Title of publication	Understanding the structural landscape of Mn-based MOFs formed with hinged pyrazole carboxylate linkers
Authors of publication	Smernik, Josephine F.; Gimeno-Fonquernie, Pol; Albalad, Jorge; Jones, Tyla S.; Young, Rosemary J.; Champness, Neil R.; Doonan, Christian J.; Evans, Jack D.; Sumby, Christopher J.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	47
Pages of publication	6539 - 6548
a	22.1459 ± 0.0003 Å
b	12.0673 ± 0.0002 Å
c	12.5517 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	3354.33 ± 0.09 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0892
Residual factor for significantly intense reflections	0.0876
Weighted residual factors for significantly intense reflections	0.2234
Weighted residual factors for all reflections included in the refinement	0.2242
Goodness-of-fit parameter for all reflections included in the refinement	1.191
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288791 (current)	2024-01-06	cif/ Updating files of 7247455, 7247456, 7247457, 7247458, 7247459, 7247460, 7247461, 7247462 Original log message: Adding full bibliography for 7247455--7247462.cif.	7247457.cif
286596	2023-09-29	cif/ Adding structures of 7247455, 7247456, 7247457, 7247458, 7247459, 7247460, 7247461, 7247462 via cif-deposit CGI script.	7247457.cif