Crystallography Open Database

Information card for entry 4335006

Preview

Coordinates	4335006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H40 Dy4 N8 O28
Calculated formula	C38 H40 Dy4 N8 O28
SMILES	C1c2[n]3c(ccc2)C2=N[N]4=Cc5[n]6c7c(O[Dy]8946([O]2[Dy]23([OH]1)([OH2])([OH2])O[Dy]134([N](=Cc6[n]1c1c(cc6)cccc1O4)N=C1c4cccc%10C[OH][Dy](O8)(O9)([n]4%10)([O]31)([OH2])[OH2])(O2)([OH2])[OH2])([OH2])[OH2])cccc7cc5.CO.O.O.OC.O.CO.CO.O.O.O
Title of publication	Rhombus-Shaped Tetranuclear [Ln4] Complexes [Ln = Dy(III) and Ho(III)]: Synthesis, Structure, and SMM Behavior
Authors of publication	Vadapalli Chandrasekhar; Sakiat Hossain; Sourav Das; Sourav Biswas; Jean-Pascal Sutter
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6346 - 6353
a	10.552 ± 0.005 Å
b	11.547 ± 0.005 Å
c	11.927 ± 0.005 Å
α	104.585 ± 0.005°
β	91.466 ± 0.005°
γ	104.431 ± 0.005°
Cell volume	1356 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0863
Residual factor for significantly intense reflections	0.0703
Weighted residual factors for significantly intense reflections	0.2011
Weighted residual factors for all reflections included in the refinement	0.2365
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179453 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/50.	4335006.cif
100910	2014-02-10	cif/ Adding structures of 4335006 via cif-deposit CGI script.	4335006.cif