Crystallography Open Database

Information card for entry 4337859

Preview

Coordinates	4337859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H84 N8 O24 Tb4
Calculated formula	C74 H84 N8 O24 Tb4
Title of publication	Hydroxide-Free Cubane-Shaped Tetranuclear [Ln4] Complexes.
Authors of publication	Das, Sourav; Dey, Atanu; Biswas, Sourav; Colacio, Enrique; Chandrasekhar, Vadapalli
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	7
Pages of publication	3417
a	17.781 ± 0.003 Å
b	17.155 ± 0.003 Å
c	26.846 ± 0.004 Å
α	90°
β	100.194 ± 0.003°
γ	90°
Cell volume	8060 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0629
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.101
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
179481 (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 4/33/78.	4337859.cif
109907	2014-04-17	cif/ Updating files of 4337858, 4337859, 4337860 Original log message: Adding full bibliography for 4337858--4337860.cif.	4337859.cif
108454	2014-04-02	cif/ Adding structures of 4337858, 4337859, 4337860 via cif-deposit CGI script.	4337859.cif