Crystallography Open Database

Information card for entry 7242310

Preview

Coordinates	7242310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 Mn N6 O5
Calculated formula	C12 H8 Mn N6 O5
Title of publication	Three Mn(ii) metal‒organic frameworks with the same chemical composition, but different topological structures and properties
Authors of publication	Ma, Zhi Long; Wang, Meng Chen; Shi, Jian Yun; Tian, Li
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	12
Pages of publication	2396 - 2403
a	17.71 ± 0.001 Å
b	10.746 ± 0.0006 Å
c	14.6712 ± 0.0009 Å
α	90°
β	106.321 ± 0.006°
γ	90°
Cell volume	2679.6 ± 0.3 Å³
Cell temperature	114.6 ± 0.4 K
Ambient diffraction temperature	114.6 ± 0.4 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
263739 (current)	2021-04-05	cif/ Updating files of 7242310, 7242311, 7242312 Original log message: Adding full bibliography for 7242310--7242312.cif.	7242310.cif
262205	2021-02-25	cif/ Adding structures of 7242310, 7242311, 7242312 via cif-deposit CGI script.	7242310.cif