Crystallography Open Database

Information card for entry 7010989

Preview

Coordinates	7010989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H19 Er F18 N3 O7
Calculated formula	C27 H19 Er F18 N3 O7
SMILES	[Er]1234(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O2)C(F)(F)F)([O]=C(C(F)(F)F)C=C(O3)C(F)(F)F)[N]1=C([N](=O)C(C1(C)C)(C)C)c1[n]4cccc1
Title of publication	Synthesis, spectroscopic and magnetic properties of lanthanide(III) complexes with a chelated imino nitroxide radical
Authors of publication	Toshiaki Tsukuda; Takayoshi Suzuki; Sumio Kaizaki
Journal of publication	J. Chem. Soc., Dalton Trans.
Year of publication	2002
Journal issue	8
Pages of publication	1721 - 1726
a	12.101 ± 0.001 Å
b	31.582 ± 0.004 Å
c	9.554 ± 0.001 Å
α	90°
β	98.48 ± 0.01°
γ	90°
Cell volume	3611.4 ± 0.7 Å³
Cell temperature	296.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1449
Residual factor for significantly intense reflections	0.0487
Weighted residual factors for significantly intense reflections	0.1261
Weighted residual factors for all reflections included in the refinement	0.1638
Goodness-of-fit parameter for all reflections included in the refinement	0.948
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7010989.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010989.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010989.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010989.cif