Crystallography Open Database

Information card for entry 1563986

Preview

Coordinates	1563986.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H60 D12 N6 Rh2
Calculated formula	C60 H60 D12 N6 Rh2
SMILES	[Rh]1234(N(C(=CC(=[N]1c1c(cccc1C)C)C)C)c1c(cccc1C)C)[cH]1c5c(N[Rh]6(N(C(=CC(=[N]6c6c(cccc6C)C)C)C)c6c(cccc6C)C)N5c5ccccc5)[cH]4[cH]3[cH]21.C1([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C(C1([2H])[2H])([2H])[2H]
Title of publication	Reactivity of Rhodium(II) amido/Rhodium(I) aminyl complexes
Authors of publication	Zhang, Nan; Zhu, Di; Herbert, David E.; van Leest, Nicolaas P.; de Bruin, Bas; Budzelaar, Peter H.M.
Journal of publication	Inorganica Chimica Acta
Year of publication	2018
Journal volume	482
Pages of publication	709 - 716
a	19.368 ± 0.013 Å
b	13.833 ± 0.009 Å
c	19.685 ± 0.012 Å
α	90°
β	90.812 ± 0.017°
γ	90°
Cell volume	5273 ± 6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0804
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
267294 (current)	2021-07-06	cif/ Adding structures of 1563981, 1563982, 1563983, 1563984, 1563985, 1563986 via cif-deposit CGI script.	1563986.cif