Crystallography Open Database

Information card for entry 4085449

Preview

Coordinates	4085449.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	zrboron
Formula	C249 H252 B12 O60 Zr4
Calculated formula	C249 H252 B12 O60 Zr4
Title of publication	Group 4 Lanthanide and Actinide Organometallic Inclusion Complexes
Authors of publication	Das, Raj K.; Barnea, Eyal; Andrea, Tamer; Kapon, Moshe; Fridman, Natalia; Botoshansky, Mark; Eisen, Moris S.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	4
Pages of publication	742
a	16.608 ± 0.0006 Å
b	26.344 ± 0.0014 Å
c	13.745 ± 0.0012 Å
α	90°
β	94.137 ± 0.004°
γ	90°
Cell volume	5998.1 ± 0.7 Å³
Cell temperature	230 ± 0.1 K
Ambient diffraction temperature	230 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1138
Residual factor for significantly intense reflections	0.0512
Weighted residual factors for significantly intense reflections	0.1182
Weighted residual factors for all reflections included in the refinement	0.1294
Goodness-of-fit parameter for all reflections included in the refinement	0.873
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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