Crystallography Open Database

Information card for entry 4305275

Preview

Coordinates	4305275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H41 N3 Sm
Calculated formula	C35 H41 N3 Sm
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Sm]16789%102345([n]2ccccc2c2[n]1c(c1[n]%10cccc1)ccc2)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C)C)C)C)C
Title of publication	Direct Comparison of the Magnetic and Electronic Properties of Samarocene and Ytterbocene Terpyridine Complexes
Authors of publication	Jacqueline M. Veauthier; Eric J. Schelter; Christin N. Carlson; Brian L. Scott; Ryan E. Da Re; J. D. Thompson; Jaqueline L. Kiplinger; David E. Morris; Kevin D. John
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	5841 - 5849
a	14.54 ± 0.003 Å
b	14.011 ± 0.003 Å
c	14.152 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	2883 ± 1.1 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0475
Residual factor for significantly intense reflections	0.0259
Weighted residual factors for significantly intense reflections	0.0606
Weighted residual factors for all reflections included in the refinement	0.0667
Goodness-of-fit parameter for all reflections included in the refinement	1.209
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
179090 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/52.	4305275.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305275.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305275.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	4305275.cif