Crystallography Open Database

Information card for entry 7122665

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Coordinates	7122665.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H55 Br N4 O Ru
Calculated formula	C32 H45 Br N4 Ru
Title of publication	Metallo-supramolecular assembly of protic pincer-type complexes: encapsulation of dinitrogen and carbon disulfide into multiproton-responsive diruthenium cage
Authors of publication	Toda, Tatsuro; Suzuki, Satoshi; Kuwata, Shigeki
Journal of publication	Chemical Communications
Year of publication	2018
a	10.116 ± 0.0013 Å
b	26.145 ± 0.003 Å
c	27.303 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7221.2 ± 1.5 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	6
Space group number	56
Hermann-Mauguin space group symbol	P c c n
Hall space group symbol	-P 2ab 2ac
Residual factor for all reflections	0.1026
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1209
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	0.854
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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