Crystallography Open Database

Information card for entry 7062543

Preview

Coordinates	7062543.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	complex1
Formula	C76 H64 Cl4 Mn4 N8 O20 Se2
Calculated formula	C76 H64 Cl4 Mn4 N8 O20 Se2
Title of publication	Single chain magnetic behaviour in a selenite-bridged out-of-plane Mn2O2 dimer motif
Authors of publication	Zhang, Shao-Liang; Liu, Yu-Wen; Yue, Cai-Ran; Zhao, Xin-Hua; Wang, Yan-Lan; Li, Shan-Shan
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	30
Pages of publication	14528 - 14533
a	13.278 ± 0.0013 Å
b	15.0938 ± 0.0015 Å
c	20.7588 ± 0.0018 Å
α	110.446 ± 0.003°
β	99.274 ± 0.002°
γ	97.571 ± 0.002°
Cell volume	3766.9 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1582
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.17
Goodness-of-fit parameter for all reflections included in the refinement	0.886
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
285484 (current)	2023-08-05	cif/ Updating files of 7062543 Original log message: Adding full bibliography for 7062543.cif.	7062543.cif
284800	2023-07-05	cif/ Adding structures of 7062543 via cif-deposit CGI script.	7062543.cif