Crystallography Open Database

Information card for entry 7708813

Preview

Coordinates	7708813.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H110 B2 F10 Fe4 N4 P2 S4
Calculated formula	C88 H110 B2 F10 Fe4 N4 P2 S4
Title of publication	Formation of thiolate-bridged diiron complexes featuring anionic isocyanide originated from the activation of counterions in the outer sphere
Authors of publication	Xu, Sunlin; Yang, Dawei; Zhao, Jinfeng; Wang, Baomin; Qu, Jingping
Journal of publication	Dalton Transactions
Year of publication	2021
a	10.1726 ± 0.0006 Å
b	11.9179 ± 0.0007 Å
c	18.683 ± 0.0011 Å
α	97.217 ± 0.001°
β	97.823 ± 0.001°
γ	103.604 ± 0.001°
Cell volume	2151.6 ± 0.2 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	8
Space group number	1
Hermann-Mauguin space group symbol	P 1
Hall space group symbol	P 1
Residual factor for all reflections	0.0773
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.0841
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.017
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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