Crystallography Open Database

Information card for entry 4070555

Preview

Coordinates	4070555.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H57 Fe N2 O2 Sc Si2
Calculated formula	C31 H57 Fe N2 O2 Sc Si2
SMILES	[Sc](N([Si](C(C)(C)C)(C)C)[c]1([Fe]23456789%10)[cH]2[cH]%10[cH]8[cH]61)(N([Si](C(C)(C)C)(C)C)[c]24[cH]5[cH]9[cH]7[cH]32)(C)([O]1CCCC1)[O]1CCCC1
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	16.0645 ± 0.0015 Å
b	10.2243 ± 0.001 Å
c	21.086 ± 0.002 Å
α	90°
β	104.469 ± 0.001°
γ	90°
Cell volume	3353.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0739
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.1016
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
178594 (current)	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.	4070555.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070555.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070555.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.	4070555.cif