Crystallography Open Database

Information card for entry 4301120

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Coordinates	4301120.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H60 B3 Ce O7
Calculated formula	C40 H60 B3 Ce O7
Title of publication	Lanthanide(III) and Actinide(III) Complexes [M(BH4)2(THF)5][BPh4] and [M(BH4)2(18-crown-6)][BPh4] (M = Nd, Ce, U): Synthesis, Crystal Structure, and Density Functional Theory Investigation of the Covalent Contribution to Metal-Borohydride Bonding
Authors of publication	Thérèse Arliguie; Lotfi Belkhiri; Salah-Eddine Bouaoud; Pierre Thuéry; Claude Villiers; Abdou Boucekkine; Michel Ephritikhine
Journal of publication	Inorganic Chemistry
Year of publication	2009
Journal volume	48
Pages of publication	221 - 230
a	12.684 ± 0.0003 Å
b	13.9061 ± 0.0004 Å
c	14.0616 ± 0.0003 Å
α	84.128 ± 0.002°
β	78.951 ± 0.003°
γ	67.239 ± 0.002°
Cell volume	2243.63 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0551
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1316
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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