Crystallography Open Database

Information card for entry 1502624

Preview

Coordinates	1502624.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H49 Fe Lu N2 O
Calculated formula	C48.5 H49 Fe Lu N2 O
Title of publication	Reactions of aromatic N-heterocycles with d0fn-metal alkyl complexes supported by chelating diamide ligands.
Authors of publication	Diaconescu, Paula L.
Journal of publication	Accounts of chemical research
Year of publication	2010
Journal volume	43
Journal issue	10
Pages of publication	1352 - 1363
a	20.6899 ± 0.0018 Å
b	23.815 ± 0.002 Å
c	16.4542 ± 0.0015 Å
α	90°
β	90°
γ	90°
Cell volume	8107.5 ± 1.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	54
Hermann-Mauguin space group symbol	P c c a
Hall space group symbol	-P 2a 2ac
Residual factor for all reflections	0.0766
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1216
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.279
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502624.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502624.cif
35917	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502624 via cif-deposit CGI script.	1502624.cif