Crystallography Open Database

Information card for entry 7700037

Preview

Coordinates	7700037.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H13 Mn2 Mo N8 O2
Calculated formula	C12 H13 Mn2 Mo N8 O2
Title of publication	Two three-dimensional [Mo<sup>III</sup>(CN)<sub>7</sub>]<sup>4-</sup>-based magnets showing new topologies and ferrimagnetic ordering below 80 K.
Authors of publication	Wei, Xiao-Qin; Wang, Kang-Jie; Wu, Dong-Qing; Shao, Dong; Shi, Le; Shen, Fu-Xing; Wei, Hai-Yan; Wang, Xin-Yi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	24
Pages of publication	8843 - 8852
a	9.0369 ± 0.0019 Å
b	16.263 ± 0.004 Å
c	13.159 ± 0.003 Å
α	90°
β	102.805 ± 0.003°
γ	90°
Cell volume	1885.8 ± 0.7 Å³
Cell temperature	153 K
Ambient diffraction temperature	153 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.069
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.038
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
223792 (current)	2019-11-07	cif/ Updating files of 7700036, 7700037 Original log message: Adding full bibliography for 7700036--7700037.cif.	7700037.cif
215340	2019-05-21	cif/ Adding structures of 7700036, 7700037 via cif-deposit CGI script.	7700037.cif