Crystallography Open Database

Information card for entry 7717560

Preview

Coordinates	7717560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35.43 H27.15 B F4 Fe N5.71 O4
Calculated formula	C35.4322 H27.1483 B F4 Fe N5.7161 O4
Title of publication	Two-step Spin Transition around Room Temperature in a FeIII Complex
Authors of publication	Wu, Jianfeng; Li, Mengtao; Yang, Qianqian; Zhang, Baoliang; Tang, Jinkui
Journal of publication	Dalton Transactions
Year of publication	2024
a	9.786 ± 0.006 Å
b	12.619 ± 0.007 Å
c	15.625 ± 0.011 Å
α	71.31 ± 0.02°
β	72.147 ± 0.014°
γ	88.655 ± 0.014°
Cell volume	1733.8 ± 1.9 Å³
Cell temperature	360 K
Ambient diffraction temperature	360 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	0.1264
Residual factor for significantly intense reflections	0.0721
Weighted residual factors for significantly intense reflections	0.185
Weighted residual factors for all reflections included in the refinement	0.2245
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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/7717560.html