Crystallography Open Database

Information card for entry 7701211

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Structure parameters

Formula	C30 H51 As Fe N2 Si4
Calculated formula	C30 H51 As Fe N2 Si4
Title of publication	Magnetic anisotropy in trigonal planar Fe(ii) bis(trimethylsilyl)amido complexes of the type [Fe{N(SiMe<sub>3</sub>)<sub>2</sub>}<sub>2</sub>L]-experiment and theory.
Authors of publication	Bodenstein, Tilmann; Eichhöfer, Andreas
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	41
Pages of publication	15699 - 15712
a	10.0844 ± 0.0005 Å
b	13.4794 ± 0.0006 Å
c	13.8294 ± 0.0007 Å
α	90.654 ± 0.004°
β	93.729 ± 0.004°
γ	91.626 ± 0.004°
Cell volume	1874.95 ± 0.16 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0401
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0871
Goodness-of-fit parameter for all reflections included in the refinement	1.012
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301878 (current)	2025-08-23	Add cross-references to PubChem compounds in COD range 7/70/ Each referenced PubChem compound corresponds to the full crystal structure.	7701211.cif
223884	2019-11-07	cif/ Updating files of 7701207, 7701208, 7701209, 7701210, 7701211 Original log message: Adding full bibliography for 7701207--7701211.cif.	7701211.cif
218651	2019-09-21	cif/ Adding structures of 7701207, 7701208, 7701209, 7701210, 7701211 via cif-deposit CGI script.	7701211.cif