Crystallography Open Database

Information card for entry 4105981

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Coordinates	4105981.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H104 Lu4 Si4
Calculated formula	C64 H104 Lu4 Si4
Title of publication	Ln4(CH2)4 Cubane-Type Rare-Earth Methylidene Complexes Consisting of "(C5Me4SiMe3)LnCH2" Units (Ln = Tm, Lu)
Authors of publication	Wen-Xiong Zhang; Zitao Wang; Masayoshi Nishiura; Zhenfeng Xi; Zhaomin Hou
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	5712 - 5715
a	12.3484 ± 0.0013 Å
b	23.487 ± 0.003 Å
c	13.463 ± 0.0014 Å
α	90°
β	115.768 ± 0.002°
γ	90°
Cell volume	3516.4 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0791
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1498
Weighted residual factors for all reflections included in the refinement	0.1561
Goodness-of-fit parameter for all reflections included in the refinement	1.175
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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