Crystallography Open Database

Information card for entry 7061048

Preview

Coordinates	7061048.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H71 Cl4 N3 O16 P2 Ru
Calculated formula	C46 H71 Cl4 N3 O16 P2 Ru
Title of publication	Ruthenium macrocycles bearing pyridine bis(carboxamide): synthesis, structure, and catalytic activity for hydrosilylation
Authors of publication	Sato, Hiroki; Tsukamoto, Tadashi; Sogawa, Hiromitsu; Kuwata, Shigeki; Takata, Toshikazu
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	39
Pages of publication	18282 - 18289
a	12.256 ± 0.003 Å
b	20.547 ± 0.004 Å
c	23.363 ± 0.005 Å
α	99.334 ± 0.003°
β	99.324 ± 0.004°
γ	98.5572 ± 0.0016°
Cell volume	5635 ± 2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 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	0.1011
Residual factor for significantly intense reflections	0.0761
Weighted residual factors for significantly intense reflections	0.1874
Weighted residual factors for all reflections included in the refinement	0.2095
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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