Crystallography Open Database

Information card for entry 7035808

Preview

Coordinates	7035808.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H133 N6 O8 Y
Calculated formula	C84 H133 N6 O8 Y
SMILES	[Y]123(Oc4n(nc(c4C(=[O]1)CCCCCCCCCCCCCCCCC)C)c1ccccc1)(Oc1n(nc(c1C(=[O]2)CCCCCCCCCCCCCCCCC)C)c1ccccc1)(Oc1n(nc(c1C(=[O]3)CCCCCCCCCCCCCCCCC)C)c1ccccc1)([OH2])[OH2]
Title of publication	Synthesis of novel lanthanide acylpyrazolonato ligands with long aliphatic chains and immobilization of the Tb complex on the surface of silica pre-modified via hydrophobic interactions.
Authors of publication	Pettinari, C.; Marchetti, F.; Pettinari, R.; Belousov, Y. A.; Taydakov, I. V.; Krasnobrov, V. D.; Petukhov, D. I.; Drozdov, A. A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	33
Pages of publication	14887 - 14895
a	15.101 ± 0.003 Å
b	15.292 ± 0.003 Å
c	20.498 ± 0.004 Å
α	84.792 ± 0.003°
β	74.088 ± 0.003°
γ	65.143 ± 0.003°
Cell volume	4128.8 ± 1.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1063
Residual factor for significantly intense reflections	0.0688
Weighted residual factors for significantly intense reflections	0.1787
Weighted residual factors for all reflections included in the refinement	0.1988
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
161817 (current)	2015-10-09	cif/ Updating files of 7035808 Original log message: Adding full bibliography for 7035808.cif.	7035808.cif
152072	2015-07-15	cif/ Adding structures of 7035808 via cif-deposit CGI script.	7035808.cif