Crystallography Open Database

Information card for entry 4308508

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Coordinates	4308508.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H70 Cl N17 Ni4 O9 S4
Calculated formula	C37 H70 Cl N17 Ni4 O9 S4
Title of publication	Structural Variety and Magnetic Properties of Tetranuclear Nickel(II) Complexes with a Central μ4-Azide
Authors of publication	Serhiy Demeshko; Guido Leibeling; Walter Maringgele; Franc Meyer; Christopher Mennerich; Hans-Henning Klauss; Hans Pritzkow
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	519 - 528
a	12.6894 ± 0.0009 Å
b	19.3299 ± 0.0013 Å
c	22.3243 ± 0.0015 Å
α	90°
β	91.48 ± 0.001°
γ	90°
Cell volume	5474 ± 0.6 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	7
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0658
Weighted residual factors for significantly intense reflections	0.1654
Weighted residual factors for all reflections included in the refinement	0.1686
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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