Crystallography Open Database

Information card for entry 4333999

Preview

Coordinates	4333999.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H3 N Ni O15 Ru5
Calculated formula	C18 H3 N Ni O15 Ru5
SMILES	[Ru]12345([Ru]6789([Ru]%10%11%12([Ru]%13%141([Ru]26%10([C]48%12%14[Ni]37%11%13(C9=O)([N]#CC)C5=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O]
Title of publication	Bimetallic Octahedral Ruthenium-Nickel Carbido Cluster Complexes. Synthesis and Structural Characterization
Authors of publication	Sumit Saha; Lei Zhu; Burjor Captain
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	2526 - 2532
a	23.7452 ± 0.0011 Å
b	10.6244 ± 0.0005 Å
c	10.9461 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2761.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0419
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0607
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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
179442 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/39.	4333999.cif
99808	2014-02-03	cif/ Adding structures of 4333999 via cif-deposit CGI script.	4333999.cif