Crystallography Open Database

Information card for entry 7703916

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Coordinates	7703916.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C67 H84 B2 Fe3 N22 O8
Calculated formula	C60 H54 B2 Fe3 N22
Title of publication	Manipulating the spin crossover behavior in a series of {FeFe<sup>II</sup>} complexes.
Authors of publication	Chen, Jia-Tao; Zhao, Xin-Hua; Zhang, Yuan-Zhu
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	18
Pages of publication	5949 - 5956
a	19.309 ± 0.004 Å
b	18.909 ± 0.004 Å
c	23.215 ± 0.004 Å
α	90°
β	113.646 ± 0.005°
γ	90°
Cell volume	7764 ± 3 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299.97 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	0.0669
Residual factor for significantly intense reflections	0.0485
Weighted residual factors for significantly intense reflections	0.1229
Weighted residual factors for all reflections included in the refinement	0.1379
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	No
Has F_obs	No

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