Crystallography Open Database

Information card for entry 7247460

Preview

Coordinates	7247460.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H23 Mn2 N9 O11
Calculated formula	C21 H23 Mn2 N9 O11
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	12.318 ± 0.003 Å
b	12.9645 ± 0.0013 Å
c	9.0482 ± 0.0012 Å
α	90°
β	107.377 ± 0.015°
γ	90°
Cell volume	1379 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	8
Hermann-Mauguin space group symbol	C 1 m 1
Hall space group symbol	C -2y
Residual factor for all reflections	0.0672
Residual factor for significantly intense reflections	0.0618
Weighted residual factors for significantly intense reflections	0.1626
Weighted residual factors for all reflections included in the refinement	0.1673
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
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.	7247460.cif
286596	2023-09-29	cif/ Adding structures of 7247455, 7247456, 7247457, 7247458, 7247459, 7247460, 7247461, 7247462 via cif-deposit CGI script.	7247460.cif