Crystallography Open Database

Information card for entry 4317438

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Coordinates	4317438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H142 Br Cl14 N12 O100 Pr15
Calculated formula	C108 H142 Br Cl14 N12 O100 Pr15
Title of publication	Halide-Templated Assembly of Polynuclear Lanthanide-Hydroxo Complexes
Authors of publication	Ruiyao Wang; Hugh D. Selby; Hui Liu; Michael D. Carducci; Tianzhu Jin; Zhiping Zheng; Jeffery W. Anthis; Richard J. Staples
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	278 - 286
a	34.154 ± 0.002 Å
b	20.4966 ± 0.0014 Å
c	20.8371 ± 0.0014 Å
α	90°
β	126.967 ± 0.001°
γ	90°
Cell volume	11654.6 ± 1.3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0937
Residual factor for significantly intense reflections	0.0716
Weighted residual factors for significantly intense reflections	0.1943
Weighted residual factors for all reflections included in the refinement	0.2254
Goodness-of-fit parameter for all reflections included in the refinement	1.062
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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