Crystallography Open Database

Information card for entry 4331771

Preview

Coordinates	4331771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H40 N4 O8 Ru2
Calculated formula	C34 H40 N4 O8 Ru2
SMILES	CC1=CC(C)=[O][Ru]23(O1)(OC(=CC(=[O]3)C)C)NC(=[N]1[N]2=C(N[Ru]231(OC(=CC(C)=[O]2)C)OC(=CC(=[O]3)C)C)c1ccccc1)c1ccccc1
Title of publication	Metal-Induced Reductive Ring Opening of 1,2,4,5-Tetrazines: Three Resulting Coordination Alternatives, Including the New Non-Innocent 1,2-Diiminohydrazido(2−) Bridging Ligand System
Authors of publication	Maji, Somnath; Sarkar, Biprajit; Patra, Srikanta; Fiedler, Jan; Mobin, Shaikh M.; Puranik, Vedavati G.; Kaim, Wolfgang; Lahiri, Goutam Kumar
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	3
Pages of publication	1316 - 1325
a	25.225 ± 0.002 Å
b	10.296 ± 0.0004 Å
c	15.952 ± 0.0019 Å
α	90°
β	122.897 ± 0.008°
γ	90°
Cell volume	3478.7 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1054
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.1039
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179420 (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 4/33/17.	4331771.cif
97875	2014-01-29	cif/ Adding structures of 4331771 via cif-deposit CGI script.	4331771.cif