Crystallography Open Database

Information card for entry 8104786

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Coordinates	8104786.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	<i>catena</i>-[(1,4,8,11-Tetraazacyclotetradecane-κ^4^<i>N,N',N'',N'''</i>)- bis(μ~2~-thiocyanato-<i>S,N</i>)-bis(thiocyanato-κ<i>S</i>)-nickel(II)- palladium(II)]
Formula	C14 H24 N8 Ni Pd S4
Calculated formula	C14 H24 N8 Ni Pd S4
Title of publication	Crystal structure of catena-poly[(1,4,8,11-tetraazacyclotetradecane-κ 4 N,N′,N″,N′′′)-bis(μ 2-thiocyanato-κ2 N:S)-bis(thiocyanato-κS)-nickel(II)palladium(II)], C14H24N8NiPdS4
Authors of publication	Ha, Kwang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2021
Journal volume	236
Journal issue	3
Pages of publication	631 - 633
a	12.033 ± 0.0008 Å
b	12.0959 ± 0.0008 Å
c	15.9551 ± 0.0012 Å
α	85.768 ± 0.003°
β	71.917 ± 0.003°
γ	87.899 ± 0.003°
Cell volume	2201.3 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 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	0.0446
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.0905
Weighted residual factors for all reflections included in the refinement	0.0973
Goodness-of-fit parameter for all reflections included in the refinement	1.049
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
273786 (current)	2022-03-18	cif/ Adding structures of 8104786 via cif-deposit CGI script.	8104786.cif