Crystallography Open Database

Information card for entry 7061138

Preview

Coordinates	7061138.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Cl4 Mn N2 O2
Calculated formula	C12 H28 Cl4 Mn N2 O2
Title of publication	A novel organic–inorganic hybrid phase transition compound based on 4-ethylmorpholine with switchable dielectric and luminescent properties
Authors of publication	Liu, Jing-Yuan; Ye, Si-Yu; Wan, Min; Wang, Yan-Ning; Tong, Liang; Chen, Li-Zhuang
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	3
Pages of publication	1054 - 1059
a	8.2737 ± 0.0012 Å
b	10.4938 ± 0.0015 Å
c	12.0521 ± 0.0017 Å
α	89.602 ± 0.001°
β	79.517 ± 0.001°
γ	84.377 ± 0.001°
Cell volume	1023.9 ± 0.3 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0449
Residual factor for significantly intense reflections	0.0319
Weighted residual factors for significantly intense reflections	0.0665
Weighted residual factors for all reflections included in the refinement	0.0741
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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