Crystallography Open Database

Information card for entry 2016386

2016385 << 2016386 >> 2016387

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Structure parameters

Chemical name	trichlorido(μ~3~-triethylphosphine oxide-κ^3^O:O:O)tris(μ~2~-triethylphosphine oxide-κ^2^O:O)trilithium(I)
Formula	C24 H60 Cl3 Li3 O4 P4
Calculated formula	C24 H60 Cl3 Li3 O4 P4
SMILES	Cl[Li]12[O](=P(CC)(CC)CC)[Li]3(Cl)[O](=P(CC)(CC)CC)[Li](Cl)([O]1=P(CC)(CC)CC)[O]23=P(CC)(CC)CC
Title of publication	Two pseudopolymorphs of LiCl trimers with semicubane structures
Authors of publication	Wioleta Domanska-Babul; Katarzyna Baranowska; Jerzy Pikies
Journal of publication	Acta Crystallographica Section C
Year of publication	2008
Journal volume	64
Journal issue	1
Pages of publication	m20 - m22
a	12.0507 ± 0.0004 Å
b	12.1447 ± 0.0003 Å
c	25.8698 ± 0.0007 Å
α	90°
β	94.564 ± 0.002°
γ	90°
Cell volume	3774.1 ± 0.19 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
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	0.0372
Residual factor for significantly intense reflections	0.0336
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.0922
Goodness-of-fit parameter for all reflections included in the refinement	1.13
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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