Crystallography Open Database

Information card for entry 7701471

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Coordinates	7701471.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H42 Cl N3 O3 P2 Ru
Calculated formula	C49 H42 Cl N3 O3 P2 Ru
Title of publication	Cooperative Ruthenium Complex Catalyzed Multicomponent Synthesis of Pyrimidines
Authors of publication	Maji, Milan; Kundu, Sabuj
Journal of publication	Dalton Transactions
Year of publication	2019
a	12.1744 ± 0.0003 Å
b	12.4671 ± 0.0003 Å
c	16.7201 ± 0.0004 Å
α	70.504 ± 0.001°
β	73.136 ± 0.001°
γ	73.702 ± 0.001°
Cell volume	2241.36 ± 0.1 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0509
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0903
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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