Crystallography Open Database

Information card for entry 2243988

Preview

Coordinates	2243988.cif
Structure factors	2243988.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Bis[μ-<i>N</i>,<i>N</i>-bis(2-aminoethyl)ethane-1,2-diamine]bis[<i>N</i>,<i>N</i>-bis(2-aminoethyl)ethane-1,2-diamine]-μ~4~-oxido-hexa-μ~3~-oxido-octa-μ~2~-oxido-tetraoxidotetranickel(II)hexatantalum(V) nonadecahydrate
Formula	C24 H110 N16 Ni4 O38 Ta6
Calculated formula	C24 H92 N16 Ni4 O38 Ta6
Title of publication	Synthesis and crystal structure of bis[μ-<i>N</i>,<i>N</i>-bis(2-aminoethyl)ethane-1,2-diamine]bis[<i>N</i>,<i>N</i>-bis(2-aminoethyl)ethane-1,2-diamine]-μ~4~-oxido-hexa-μ~3~-oxido-octa-μ~2~-oxido-tetraoxidotetranickel(II)hexatantalum(V) nonadecahydrate
Authors of publication	Krause, Dana-Céline; Näther, Christian; Bensch, Wolfgang
Journal of publication	Acta Crystallographica Section E
Year of publication	2021
Journal volume	77
Journal issue	12
Pages of publication	1253 - 1257
a	10.5033 ± 0.0001 Å
b	12.098 ± 0.0002 Å
c	13.864 ± 0.0002 Å
α	73.748 ± 0.001°
β	80.918 ± 0.001°
γ	80.842 ± 0.001°
Cell volume	1657.75 ± 0.04 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.023
Residual factor for significantly intense reflections	0.0213
Weighted residual factors for significantly intense reflections	0.0585
Weighted residual factors for all reflections included in the refinement	0.0594
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
271907 (current)	2022-01-07	cif/ hkl/ Adding structures of 2243988 via cif-deposit CGI script.	2243988.cif 2243988.hkl