Crystallography Open Database

Information card for entry 4070551

Preview

Coordinates	4070551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H57 Fe N2 O Sc Si2
Calculated formula	C35 H57 Fe N2 O Sc Si2
SMILES	[Sc](N([Si](C(C)(C)C)(C)C)[c]12[Fe]3456789%10[cH]1[cH]9[cH]8[cH]72)(N([Si](C(C)(C)C)(C)C)[c]13[cH]%10[cH]5[cH]6[cH]41)([O]1CCCC1)Cc1cc(cc(c1)C)C
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	68.24 ± 0.013 Å
b	10.606 ± 0.002 Å
c	19.858 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	14372 ± 5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0655
Residual factor for significantly intense reflections	0.0412
Weighted residual factors for significantly intense reflections	0.0871
Weighted residual factors for all reflections included in the refinement	0.0951
Goodness-of-fit parameter for all reflections included in the refinement	0.922
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.	4070551.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070551.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070551.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.	4070551.cif