Crystallography Open Database

Information card for entry 7063607

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Coordinates	7063607.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H36 N2 O4 P2 Ru
Calculated formula	C45 H36 N2 O4 P2 Ru
Title of publication	Ancillary ligand-induced variation in electronic spectral and catalytic properties of heteroleptic ONO-pincer complexes of ruthenium
Authors of publication	Dhibar, Papu; Chandra, Anushri; Paul, Piyali; Bhattacharya, Samaresh
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	7
Pages of publication	2674 - 2684
a	17.9919 ± 0.0006 Å
b	11.6497 ± 0.0004 Å
c	18.6138 ± 0.0006 Å
α	90°
β	98.072 ± 0.002°
γ	90°
Cell volume	3862.8 ± 0.2 Å³
Cell temperature	296.15 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0364
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0688
Weighted residual factors for all reflections included in the refinement	0.078
Goodness-of-fit parameter for all reflections included in the refinement	1.0986
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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