Crystallography Open Database

Information card for entry 4335007

Preview

Coordinates	4335007.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H54 Ho4 N8 O28
Calculated formula	C40 H34 Ho4 N8 O28
SMILES	N1[N]2=Cc3[n]4c5c(cc3)cccc5O[Ho]3524([O]2C=1c1[n]4c(C[OH][Ho]624([OH2])(O[Ho]247([n]8c(C=[N]2N=C2c9[n]%10c(C[OH][Ho]%10(O3)([O]72)(O5)([OH2])[OH2])ccc9)ccc2c8c(ccc2)O4)(O6)([OH2])[OH2])[OH2])ccc1)([OH2])[OH2].CO.CO.CO.O.O.CO.CO.CO.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	10.431 ± 0.004 Å
b	11.43 ± 0.004 Å
c	11.838 ± 0.004 Å
α	105.04 ± 0.006°
β	91.041 ± 0.007°
γ	104.007 ± 0.007°
Cell volume	1317.6 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1299
Residual factor for significantly intense reflections	0.0855
Weighted residual factors for significantly intense reflections	0.2179
Weighted residual factors for all reflections included in the refinement	0.2797
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
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.	4335007.cif
100911	2014-02-10	cif/ Adding structures of 4335007 via cif-deposit CGI script.	4335007.cif