Crystallography Open Database

Information card for entry 7715753

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Coordinates	7715753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C300 H266 Fe8 N104 O13 S16
Calculated formula	C300 H266 Fe8 N104 O13 S16
Title of publication	Reversible Light-Induced Spin State Switching in a Dinuclear Fe(II) Spin Crossover Complex
Authors of publication	Wang, Jun-Li; Zhou, Hang-Yue; Zhao, Liang; Meng, Yin-Shan; Liu, Tao
Journal of publication	Dalton Transactions
Year of publication	2024
a	12.549 ± 0.0015 Å
b	21.076 ± 0.003 Å
c	30.415 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	8044.2 ± 1.8 Å³
Cell temperature	291.81 K
Ambient diffraction temperature	291.81 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.1178
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1601
Weighted residual factors for all reflections included in the refinement	0.1816
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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