Crystallography Open Database

Information card for entry 7010662

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Coordinates	7010662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H7 N2 O2 Rh S
Calculated formula	C8 H7 N2 O2 Rh S
Title of publication	Synthesis, structure and hydroformylation activity of monomer rhodium and iridium pyrimidine thiolate complexes
Authors of publication	Rojas, Sergio; Fierro, José Luis García; Fandos, Rosa; Rodríguez, Ana; Terreros, Pilar
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2001
Journal issue	15
Pages of publication	2316
a	6.9019 ± 0.0002 Å
b	13.3935 ± 0.0004 Å
c	11.2534 ± 0.0001 Å
α	90°
β	103.257 ± 0.002°
γ	90°
Cell volume	1012.55 ± 0.04 Å³
Cell temperature	178.2 K
Ambient diffraction temperature	178.2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0277
Goodness-of-fit parameter for significantly intense reflections	0.96
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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