Crystallography Open Database

Information card for entry 7712376

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Coordinates	7712376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H70 Au P3 Rh
Calculated formula	C48 H70 Au P3 Rh
SMILES	[Au]([P](c1c(cccc1c1c(cccc1C)C)c1c(cccc1C)C)(C1CCCC1)C1CCCC1)C[c]12[c]3([RhH]4561([P](C)(C)CC[P]4(C)C)[c]3([c]5([c]26C)C)C)C
Title of publication	Polarized Au(I)/Rh(I) Bimetallic Pairs Cooperatively Trigger Ligand non-Innocence and Bond Activation
Authors of publication	González Alférez, Macarena; Moreno, Juan J.; Maya, Celia; Campos, Jesús
Journal of publication	Dalton Transactions
Year of publication	2023
a	9.4923 ± 0.001 Å
b	17.269 ± 0.0018 Å
c	18.576 ± 0.0018 Å
α	104.345 ± 0.003°
β	98.054 ± 0.003°
γ	90.238 ± 0.003°
Cell volume	2918.6 ± 0.5 Å³
Cell temperature	193 K
Ambient diffraction temperature	193 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	0.1088
Residual factor for significantly intense reflections	0.0556
Weighted residual factors for significantly intense reflections	0.1258
Weighted residual factors for all reflections included in the refinement	0.1544
Goodness-of-fit parameter for all reflections included in the refinement	0.989
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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