Crystallography Open Database

Information card for entry 7247455

Preview

Coordinates	7247455.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H24 Mn N4 O5
Calculated formula	C25 H24 Mn N4 O5
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	20.8278 ± 0.0003 Å
b	14.7244 ± 0.0003 Å
c	7.739 ± 0.0002 Å
α	90°
β	93.831 ± 0.002°
γ	90°
Cell volume	2368.07 ± 0.09 Å³
Cell temperature	299.6 ± 0.7 K
Ambient diffraction temperature	299.6 ± 0.7 K
Number of distinct elements	5
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	0.0528
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0815
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation probe	x-ray
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
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.	7247455.cif
286596	2023-09-29	cif/ Adding structures of 7247455, 7247456, 7247457, 7247458, 7247459, 7247460, 7247461, 7247462 via cif-deposit CGI script.	7247455.cif