Crystallography Open Database

Information card for entry 7049981

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Coordinates	7049981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Fe N6 O8 S2
Calculated formula	C24 H32 Fe N6 O8 S2
Title of publication	Spin crossover in hydrogen-bonded frameworks of Fe<sup>II</sup> complexes with organodisulfonate anions.
Authors of publication	Shen, Fu-Xing; Pi, Qian; Shi, Le; Shao, Dong; Li, Hong-Qing; Sun, Yu-Chen; Wang, Xin-Yi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	24
Pages of publication	8815 - 8825
a	11.852 ± 0.003 Å
b	11.24 ± 0.002 Å
c	21.146 ± 0.004 Å
α	90°
β	92.452 ± 0.004°
γ	90°
Cell volume	2814.4 ± 1 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0644
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1404
Weighted residual factors for all reflections included in the refinement	0.1517
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

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