Crystallography Open Database

Information card for entry 1548006

Preview

Coordinates	1548006.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H84 Ag N4 P4 Si4 Tb
Calculated formula	C69 H84 Ag N4 P4 Si4 Tb
SMILES	[Tb]1234[N](=P([C]3([Ag][N](=P(C4=P(N2[Si](C)(C)C)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[Si](C)(C)C)=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[Si](C)(C)C.Cc1ccccc1
Title of publication	The inverse-trans-influence in tetravalent lanthanide and actinide bis(carbene) complexes
Authors of publication	Matthew Gregson; Erli Lu; David P. Mills; Floriana Tuna; Eric J. L. McInnes; Christoph Hennig; Andreas C. Scheinost; Jonathan McMaster; William Lewis; Alexander J. Blake; Andrew Kerridge; Stephen T. Liddle
Journal of publication	Nature Communications
Year of publication	2017
Journal volume	8
Pages of publication	14137
a	45.786 ± 0.003 Å
b	12.9185 ± 0.0007 Å
c	24.1821 ± 0.0012 Å
α	90°
β	104.683 ± 0.005°
γ	90°
Cell volume	13836.3 ± 1.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0341
Weighted residual factors for significantly intense reflections	0.0835
Weighted residual factors for all reflections included in the refinement	0.087
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203121 (current)	2017-11-13	cif/ Adding structures of 1548006 via cif-deposit CGI script.	1548006.cif