Crystallography Open Database

Information card for entry 4324156

Preview

Coordinates	4324156.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H26 N6 O8 Ru
Calculated formula	C40 H26 N6 O8 Ru
SMILES	[Ru]123(N=O)(N(C(=O)c4[n]1ccc1c4cccc1)c1c(N2C(=O)c2[n]3ccc3c2cccc3)cc(OC)c(OC)c1)Oc1cc2OC3C(=Nc2cc1)C=CC(=O)C=3
Title of publication	Dye-Tethered Ruthenium Nitrosyls Containing Planar Dicarboxamide Tetradentate N4 Ligands: Effects of In-Plane Ligand Twist on NO Photolability
Authors of publication	Nicole L. Fry; Brandon J. Heilman; Pradip K. Mascharak
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	317 - 324
a	8.765 ± 0.01 Å
b	11.534 ± 0.013 Å
c	16.827 ± 0.018 Å
α	94.414 ± 0.012°
β	91.102 ± 0.011°
γ	97.487 ± 0.012°
Cell volume	1681 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0552
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0806
Weighted residual factors for all reflections included in the refinement	0.0865
Goodness-of-fit parameter for all reflections included in the refinement	1.025
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
179344 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/41.	4324156.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324156.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324156.cif
24447	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324156 via cif-deposit CGI script.	4324156.cif