Crystallography Open Database

Information card for entry 4067741

Preview

Coordinates	4067741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C97 H122 Fe2 N12 Sc2 Si4
Calculated formula	C97 H122 Fe2 N12 Sc2 Si4
Title of publication	Reactions of Imidazoles with Electrophilic Metal Alkyl Complexes
Authors of publication	Miller, Kevin L.; Carver, Colin T.; Williams, Bryan N.; Diaconescu, Paula L.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	10
Pages of publication	2272
a	12.4814 ± 0.0007 Å
b	13.6985 ± 0.0008 Å
c	14.3011 ± 0.0009 Å
α	90.475 ± 0.001°
β	90.728 ± 0.001°
γ	103.782 ± 0.001°
Cell volume	2374.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0461
Residual factor for significantly intense reflections	0.0359
Weighted residual factors for significantly intense reflections	0.0892
Weighted residual factors for all reflections included in the refinement	0.0953
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178568 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/77.	4067741.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067741.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067741.cif
34281	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067741, 4067742, 4067743, 4067744 via cif-deposit CGI script.	4067741.cif