Crystallography Open Database

Information card for entry 4348941

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Coordinates	4348941.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C28H37FeN7O8S
Formula	C28 H37 Fe N7 O8 S
Calculated formula	C28 H37 Fe N7 O8 S
Title of publication	Structural and magnetic tuning from a field-induced single-ion magnet to a single-chain magnet by anions
Authors of publication	Shao, Dong; Zhao, Xin-Hua; Zhang, Shao-Liang; Wu, Dong-Qing; Wei, Xiao-Qin; Wang, Xin-Yi
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2015
Journal volume	2
Journal issue	9
Pages of publication	846
a	12.7854 ± 0.001 Å
b	10.5316 ± 0.0009 Å
c	24.534 ± 0.002 Å
α	90°
β	97.816 ± 0.001°
γ	90°
Cell volume	3272.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1537
Weighted residual factors for all reflections included in the refinement	0.178
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	No
Has F_obs	No

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