Crystallography Open Database

Information card for entry 7054433

Preview

Coordinates	7054433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47.44 H45.3 Fe Mn N10 O6.44
Calculated formula	C47.437 H45.3 Fe Mn N10 O6.437
Title of publication	Crystal structures and magneto-structural correlation analysis for several cyano-bridged bimetallic complexes based on MnIII‒FeIIIsystems
Authors of publication	Zhou, Hongbo; Wang, Yingying; Mou, Fangyou; Shen, Xiaoping; Liu, Yashu
Journal of publication	New J. Chem.
Year of publication	2014
Journal volume	38
Journal issue	12
Pages of publication	5925
a	13.148 ± 0.003 Å
b	14.128 ± 0.003 Å
c	25.24 ± 0.005 Å
α	90°
β	102.46 ± 0.03°
γ	90°
Cell volume	4578 ± 1.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0908
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1556
Weighted residual factors for all reflections included in the refinement	0.1671
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7054433.html