Crystallography Open Database

Information card for entry 7044574

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Coordinates	7044574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H68 Fe2 N8 S2
Calculated formula	C42 H68 Fe2 N8 S2
Title of publication	Synthesis and reactivity of thiolate-bridged multi-iron complexes supported by cyclic (alkyl)(amino)carbene
Authors of publication	Zhang, Yanpeng; Mei, Tao; Yang, Dawei; Zhang, Yixin; Wang, Baomin; Qu, Jingping
Journal of publication	Dalton Trans.
Year of publication	2017
a	9.1221 ± 0.0007 Å
b	9.6527 ± 0.0008 Å
c	14.2111 ± 0.0011 Å
α	91.295 ± 0.001°
β	104.531 ± 0.001°
γ	110.985 ± 0.001°
Cell volume	1122.17 ± 0.15 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0712
Residual factor for significantly intense reflections	0.065
Weighted residual factors for significantly intense reflections	0.1594
Weighted residual factors for all reflections included in the refinement	0.1641
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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