Crystallography Open Database

Information card for entry 4308262

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Coordinates	4308262.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Re2O3(PhCONCSCEt2)4
Chemical name	mu-oxo{bis(N-benzoyl-N'N'-diethylthioureato)oxorhenium(V)}
Formula	C48 H60 N8 O7 Re2 S4
Calculated formula	C48 H60 N8 O7 Re2 S4
SMILES	[Re]12(=O)(O[Re]34(=O)([S]=C(N=C(O3)c3ccccc3)N(CC)CC)[S]=C(N=C(O4)c3ccccc3)N(CC)CC)([S]=C(N=C(O1)c1ccccc1)N(CC)CC)[S]=C(N=C(O2)c1ccccc1)N(CC)CC
Title of publication	Rhenium and Technetium Complexes with N,N-Dialkyl-N'-benzoylthioureas
Authors of publication	Nguyen Hung Huy; Ulrich Abram
Journal of publication	Inorganic Chemistry
Year of publication	2007
Journal volume	46
Pages of publication	5310 - 5319
a	20.955 ± 0.009 Å
b	15.933 ± 0.009 Å
c	16.66 ± 0.01 Å
α	90°
β	108.5 ± 0.05°
γ	90°
Cell volume	5275 ± 5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.1237
Residual factor for significantly intense reflections	0.0782
Weighted residual factors for significantly intense reflections	0.1123
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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