Crystallography Open Database

Information card for entry 7061047

Preview

Coordinates	7061047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H52 N3 O11 P Ru
Calculated formula	C51 H52 N3 O11 P 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	12.906 ± 0.008 Å
b	13.325 ± 0.008 Å
c	14.696 ± 0.008 Å
α	78.66 ± 0.03°
β	73.19 ± 0.03°
γ	84.04 ± 0.03°
Cell volume	2369 ± 2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0784
Residual factor for significantly intense reflections	0.0573
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1454
Goodness-of-fit parameter for all reflections included in the refinement	0.896
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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