Crystallography Open Database

Information card for entry 2100404

Preview

Coordinates	2100404.cif
Original IUCr paper	HTML

Structure parameters

Formula	C48 H108 O20 P4 Tc4 Th
Calculated formula	C48 H108 O20 P4 Tc4 Th
SMILES	[Th](O[Tc](=O)(=O)=O)([O]=P(CCCC)(CCCC)CCCC)(O[Tc](=O)(=O)=O)([O]=P(CCCC)(CCCC)CCCC)(O[Tc](=O)(=O)=O)([O]=P(CCCC)(CCCC)CCCC)(O[Tc](=O)(=O)=O)[O]=P(CCCC)(CCCC)CCCC
Title of publication	Temperature-resolved study of three [<i>M</i>(<i>M</i>'O~4~)~4~(TBPO)~4~] complexes (<i>MM</i>' = URe, ThRe, ThTc)
Authors of publication	M. Helliwell; D. Collison; G. H. John; I. May; M. J. Sarsfield; C. A. Sharrad; A. D. Sutton
Journal of publication	Acta Crystallographica Section B
Year of publication	2006
Journal volume	62
Journal issue	1
Pages of publication	68 - 85
a	21.417 ± 0.006 Å
b	21.649 ± 0.006 Å
c	14.848 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	6884 ± 3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P b c 21
Hall space group symbol	P 2c -2b
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0502
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.127
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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