Crystallography Open Database

Information card for entry 7121934

7121933 << 7121934 >> 7121935

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Coordinates	7121934.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H49 N6 O13 Yb
Calculated formula	C34 H49 N6 O13 Yb
Title of publication	Exquisite sensitivity of the ligand field to solvation and donor polarisability in coordinatively saturated lanthanide complexes.
Authors of publication	Mason, Kevin; Harnden, Alice C.; Patrick, Connor W.; Poh, Adeline W. J.; Batsanov, Andrei S.; Suturina, Elizaveta A.; Vonci, Michele; McInnes, Eric J. L.; Chilton, Nicholas F.; Parker, David
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	61
Pages of publication	8486 - 8489
a	7.8898 ± 0.0003 Å
b	14.8884 ± 0.0006 Å
c	15.9436 ± 0.0007 Å
α	95.4509 ± 0.0016°
β	93.4986 ± 0.0015°
γ	96.4015 ± 0.0015°
Cell volume	1847.88 ± 0.13 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 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	0.0443
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.054
Weighted residual factors for all reflections included in the refinement	0.056
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
228564 (current)	2019-11-17	cif/ Updating files of 7121932, 7121933, 7121934, 7121935, 7121936, 7121937, 7121938, 7121939 Original log message: Adding full bibliography for 7121932--7121939.cif.	7121934.cif
208952	2018-07-11	cif/ Adding structures of 7121932, 7121933, 7121934, 7121935, 7121936, 7121937, 7121938, 7121939 via cif-deposit CGI script.	7121934.cif