Crystallography Open Database

Information card for entry 4112486

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Coordinates	4112486.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H96 Er4 K4 N16 O52
Calculated formula	C112 H96 Er4 K4 N16 O52
Title of publication	Nitrophenolate as a Building Block for Lanthanide Chains, Layers, and Clusters
Authors of publication	Markus R. Bürgstein; Michael T. Gamer; Peter W. Roesky
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	5213 - 5218
a	12.13 ± 0.002 Å
b	20.632 ± 0.004 Å
c	25.974 ± 0.005 Å
α	102.96 ± 0.03°
β	94.34 ± 0.03°
γ	94.77 ± 0.03°
Cell volume	6283 ± 2 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 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	0.0708
Residual factor for significantly intense reflections	0.0447
Weighted residual factors for significantly intense reflections	0.1077
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	0.904
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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