Crystallography Open Database

Information card for entry 4104091

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Coordinates	4104091.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H64 N2 O7 Ru
Calculated formula	C41 H52 N2 O7 Ru
Title of publication	cis-β-Bis(carbonyl) Ruthenium-Salen Complexes: X-ray Crystal Structures and Remarkable Catalytic Properties toward Asymmetric Intramolecular Alkene Cyclopropanation
Authors of publication	Zhen-Jiang Xu; Ran Fang; Cunyuan Zhao; Jie-Sheng Huang; Gong-Yong Li; Nianyong Zhu; Chi-Ming Che
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4405 - 4417
a	9.439 ± 0.0019 Å
b	17.257 ± 0.004 Å
c	13.365 ± 0.003 Å
α	90°
β	93.96 ± 0.03°
γ	90°
Cell volume	2171.8 ± 0.8 Å³
Cell temperature	301 ± 2 K
Ambient diffraction temperature	301 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0731
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.1118
Weighted residual factors for all reflections included in the refinement	0.1194
Goodness-of-fit parameter for all reflections included in the refinement	0.816
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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