Crystallography Open Database

Information card for entry 7133023

Preview

Coordinates	7133023.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H49 Cl N4 O6 P2 Ru
Calculated formula	C58 H49 Cl N4 O6 P2 Ru
SMILES	[RuH]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([O]=C(c2nc(n3c2cccc3C)c2nc(ccc2)C)c2[n]1c(ccc2)C)C#[O].Cl(=O)(=O)(=O)[O-]
Title of publication	Superior electrocatalytic hydrogen evolution activity of a triply bridged diruthenium(II) complex on a carbon cloth support.
Authors of publication	Arya, Yogita; Ansari, Toufik; Bera, Sudip Kumar; Panda, Sanjib; Indra, Arindam; Lahiri, Goutam Kumar
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	47
Pages of publication	6011 - 6014
a	15.601 ± 0.0002 Å
b	21.105 ± 0.0003 Å
c	22.1703 ± 0.0003 Å
α	110.152 ± 0.001°
β	101.134 ± 0.001°
γ	99.661 ± 0.001°
Cell volume	6502.66 ± 0.17 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 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	0.0772
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1615
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
292812 (current)	2024-07-05	cif/ Updating files of 7133020, 7133021, 7133022, 7133023 Original log message: Adding full bibliography for 7133020--7133023.cif.	7133023.cif
291755	2024-05-08	cif/ Adding structures of 7133020, 7133021, 7133022, 7133023 via cif-deposit CGI script.	7133023.cif