Crystallography Open Database

Information card for entry 7061431

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Coordinates	7061431.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H40 Cl2 N6 O13 Ru
Calculated formula	C37 H34 Cl2 N6 O10 Ru
Title of publication	Development of a ruthenium–aquo complex for utilization in synthesis and catalysis for selective hydration of nitriles and alkynes
Authors of publication	Saha, Rumpa; Mukherjee, Aparajita; Bhattacharya, Samaresh
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	19
Pages of publication	9098 - 9110
a	30.054 ± 0.003 Å
b	11.0969 ± 0.001 Å
c	25.405 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	8472.7 ± 1.3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0836
Residual factor for significantly intense reflections	0.0612
Weighted residual factors for significantly intense reflections	0.1359
Weighted residual factors for all reflections included in the refinement	0.1491
Goodness-of-fit parameter for all reflections included in the refinement	1.058
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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