Crystallography Open Database

Information card for entry 4088428

Preview

Coordinates	4088428.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H64 O3 Ru2
Calculated formula	C40 H64 O3 Ru2
SMILES	[Ru]12345([H][Ru]6789%10([C]%111OCC[CH]7=%11)(C#[O])[c]1([cH]8[c]9([c]%10([cH]61)C(C)(C)C)C(C)(C)C)C(C)(C)C)(C#[O])[c]1([cH]5[c]4([c]3([cH]21)C(C)(C)C)C(C)(C)C)C(C)(C)C
Title of publication	Photoinduced Reactions of Diruthenium Tetrahydride Complexes: Carbon‒Hydrogen Bond Cleavage of Tetrahydrofuran Leading to Bridging Cyclic Fischer-Type Carbene Complexes
Authors of publication	Shimogawa, Ryuichi; Konishi, Gen-ichi; Takao, Toshiro; Suzuki, Hiroharu
Journal of publication	Organometallics
Year of publication	2016
Journal volume	35
Journal issue	10
Pages of publication	1446
a	19.5372 ± 0.0005 Å
b	9.2054 ± 0.0003 Å
c	23.5257 ± 0.0006 Å
α	90°
β	111.388 ± 0.001°
γ	90°
Cell volume	3939.66 ± 0.19 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0256
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0576
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
237556 (current)	2019-11-24	cif/ Adding structures of 4088422, 4088423, 4088424, 4088425, 4088426, 4088427, 4088428 via cif-deposit CGI script.	4088428.cif