Crystallography Open Database

Information card for entry 4334003

Preview

Coordinates	4334003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H8 Ni O13 Ru5
Calculated formula	C21 H8 Ni O13 Ru5
SMILES	[Ru]1234([Ru]5678([Ru]9%101([Ru]1%11%12%13%14%15%162([Ru]235([Ni]691([C]47%10%112)(C#[O])C8=O)(C#[O])(C#[O])C#[O])[cH]1[cH]%12[cH]%13[c]%14([cH]%15[cH]%161)C)(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	17.4209 ± 0.0008 Å
b	18.8346 ± 0.0008 Å
c	18.4782 ± 0.0008 Å
α	90°
β	116.945 ± 0.001°
γ	90°
Cell volume	5404.8 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.032
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
179443 (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 4/33/40.	4334003.cif
99813	2014-02-03	cif/ Adding structures of 4334003 via cif-deposit CGI script.	4334003.cif