Crystallography Open Database

Information card for entry 4070553

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Structure parameters

Formula	C32 H60 Fe Li N2 Sc Si2
Calculated formula	C32 H60 Fe Li N2 Sc Si2
Title of publication	Scandium Alkyl Complexes Supported by a Ferrocene Diamide Ligand
Authors of publication	Carver, Colin T.; Monreal, Marisa J.; Diaconescu, Paula L.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	3
Pages of publication	363
a	21.415 ± 0.009 Å
b	33.894 ± 0.014 Å
c	9.776 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7096 ± 5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0697
Residual factor for significantly intense reflections	0.0656
Weighted residual factors for significantly intense reflections	0.146
Weighted residual factors for all reflections included in the refinement	0.1478
Goodness-of-fit parameter for all reflections included in the refinement	1.184
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301830 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/07/ Each referenced PubChem compound corresponds to the full crystal structure.	4070553.cif
178594	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05.	4070553.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070553.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070553.cif
42556	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070549, 4070550, 4070551, 4070552, 4070553, 4070554, 4070555 via cif-deposit CGI script.	4070553.cif