Crystallography Open Database

Information card for entry 8105057

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Coordinates	8105057.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	tetra(μ~2~-cyano-<i>C,N</i>)-tetracyano-bis(1,4,7,10-tetraazacyclododecane- κ^4^<i>N,N',N'',N'''</i>)-dinickel(II)-dipalladium(II) hexahydrate
Formula	C24 H52 N16 Ni2 O6 Pd2
Calculated formula	C24 H52 N16 Ni2 O6 Pd2
Title of publication	Crystal structure of cyclo[tetra(μ2-cyanido)-tetracyanido-bis(1,4,7,10-tetraazacyclododecane-κ4N,N′,N′′,N′′′)dinickel(II)dipalladium(II)] hexahydrate, C24H52N16Ni2O6Pd2
Authors of publication	Ha, Kwang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	235
Journal issue	1
Pages of publication	201 - 202
a	8.6416 ± 0.0003 Å
b	14.2237 ± 0.0005 Å
c	15.5573 ± 0.0005 Å
α	90°
β	93.8054 ± 0.0012°
γ	90°
Cell volume	1908.02 ± 0.11 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
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	0.0357
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0915
Goodness-of-fit parameter for all reflections included in the refinement	1.057
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
274473 (current)	2022-04-12	cif/ Adding structures of 8105057 via cif-deposit CGI script.	8105057.cif