Crystallography Open Database

Information card for entry 7003015

Preview

Coordinates	7003015.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H70 Er2 N4 O4
Calculated formula	C36 H70 Er2 N4 O4
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Er]1672345(O[N]1(CC)CC)[N]([O]6[Er]123456([c]8([c]1([c]2([c]3([c]48C)C)C)C)C)([N]([O]75)(CC)CC)[N](O6)(CC)CC)(CC)CC)C)C)C)C
Title of publication	Bis(hydroxylaminato)-mono(pentamethylcyclopentadienyl) rare-earth metal complexes
Authors of publication	Venugopal, Ajay; Pape, Tania; Willner, Alexander; Mitzel, Norbert W.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	29
Pages of publication	5715 - 5719
a	14.1031 ± 0.0016 Å
b	13.0115 ± 0.0015 Å
c	21.635 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	3970.1 ± 0.8 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0542
Weighted residual factors for all reflections included in the refinement	0.0572
Goodness-of-fit parameter for all reflections included in the refinement	1.098
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
179734 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/30.	7003015.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003015.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003015.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7003015.cif