Crystallography Open Database

Information card for entry 4337158

Preview

Coordinates	4337158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H52 Cl4 N4 O8 Pt2 Ru2
Calculated formula	C52 H52 Cl4 N4 O8 Pt2 Ru2
SMILES	N1(c2c(cc(cc2C)C)C)C(=[Pt]23(C#[O])[Pt]4(C#[O])(=C5N(C=CN5c5c(cc(cc5C)C)C)c5c(cc(cc5C)C)C)[Ru]2(C#[O])(C#[O])(C#[O])[Ru]34(C#[O])(C#[O])C#[O])N(C=C1)c1c(cc(cc1C)C)C.C(Cl)Cl.C(Cl)Cl
Title of publication	Synthesis and structural characterization of ruthenium carbonyl cluster complexes containing platinum with a bulky N-heterocyclic carbene ligand.
Authors of publication	Saha, Sumit; Captain, Burjor
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	2
Pages of publication	1210 - 1216
a	18.1662 ± 0.0009 Å
b	17.0073 ± 0.0009 Å
c	12.9425 ± 0.0007 Å
α	90°
β	130.851 ± 0.001°
γ	90°
Cell volume	3024.7 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0309
Weighted residual factors for significantly intense reflections	0.0939
Weighted residual factors for all reflections included in the refinement	0.0947
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
179474 (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 4/33/71.	4337158.cif
106190	2014-03-15	cif/ Adding structures of 4337153, 4337154, 4337155, 4337156, 4337157, 4337158 via cif-deposit CGI script.	4337158.cif