Crystallography Open Database

Information card for entry 4076227

Preview

Coordinates	4076227.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H69 B20 Er2 Mg N11
Calculated formula	C30 H70 B20 Er2 Mg N11
Title of publication	Synthesis, Structural Characterization, and Reactivity of 13-Vertex Lanthanacarboranes Bearing η7-arachno-Carboranyl Ligands
Authors of publication	Cheung, Mak-Shuen; Chan, Hoi-Shan; Xie, Zuowei
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	18
Pages of publication	4468
a	14.1272 ± 0.0009 Å
b	22.0377 ± 0.0014 Å
c	18.5255 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	5767.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0883
Residual factor for significantly intense reflections	0.0647
Weighted residual factors for significantly intense reflections	0.1887
Weighted residual factors for all reflections included in the refinement	0.2113
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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