Crystallography Open Database

Information card for entry 7703915

Preview

Coordinates	7703915.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Fe2FebnbpenTp100k
Formula	C67 H84 B2 Fe3 N22 O8
Calculated formula	C67 H84 B2 Fe3 N22 O8
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	19.3698 ± 0.0006 Å
b	18.5637 ± 0.0005 Å
c	23.0499 ± 0.0007 Å
α	90°
β	114.034 ± 0.001°
γ	90°
Cell volume	7569.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	99.99 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	0.0507
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1083
Weighted residual factors for all reflections included in the refinement	0.1129
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	Yes
Has F_obs	No

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