Crystallography Open Database

Information card for entry 4334001

Preview

Coordinates	4334001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H3 N Ni O15 Ru5
Calculated formula	C16 H3 N Ni O15 Ru5
SMILES	[Ru]1234([Ru]567([Ru]89%101([Ru]1%11%122([Ru]235([Ni]681([NH3])([C]479%112)(C%10=O)C%12=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	9.4325 ± 0.0004 Å
b	17.0113 ± 0.0007 Å
c	17.5226 ± 0.0007 Å
α	62.614 ± 0.001°
β	89.195 ± 0.001°
γ	89.35 ± 0.001°
Cell volume	2496.27 ± 0.18 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1172
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.0636
Weighted residual factors for all reflections included in the refinement	0.0831
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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.	4334001.cif
99811	2014-02-03	cif/ Adding structures of 4334001 via cif-deposit CGI script.	4334001.cif