Crystallography Open Database

Information card for entry 4318649

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Structure parameters

Common name	structure_3
Formula	C89.5 H117.5 Cl2 N16.5 Ni4 O22.5
Calculated formula	C89.5 H117.5 Cl2 N16.5 Ni4 O22.5
Title of publication	Hydrolytically Active Tetranuclear Nickel Complexes with Structural Resemblance to the Active Site of Urease
Authors of publication	Håkan Carlsson; Matti Haukka; Ebbe Nordlander
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	4981 - 4983
a	16.6097 ± 0.0003 Å
b	16.8816 ± 0.0004 Å
c	20.5384 ± 0.0005 Å
α	76.4019 ± 0.0015°
β	79.1574 ± 0.0016°
γ	61.2237 ± 0.0009°
Cell volume	4887.23 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0893
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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