Crystallography Open Database

Information card for entry 4070552

Preview

Coordinates	4070552.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24.5 H38 Cl Fe N2 Sc Si2
Calculated formula	C24.5 H38 Cl Fe 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	9.913 ± 0.002 Å
b	12.742 ± 0.003 Å
c	12.952 ± 0.003 Å
α	70.982 ± 0.002°
β	70.217 ± 0.002°
γ	87.775 ± 0.002°
Cell volume	1450.7 ± 0.6 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0849
Goodness-of-fit parameter for all reflections included in the refinement	0.912
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4070552.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070552.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070552.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.	4070552.cif