Crystallography Open Database

Information card for entry 7003736

Preview

Structure parameters

Formula	C20 H32 N6 O8 Ru
Calculated formula	C20 H32 N6 O8 Ru
SMILES	C1(COC2C3OCC(C)(C)[N]=3[Ru]3([N]1=2)(N(=O)=O)(N(=O)=O)[N]1C(COC=1C1OCC(C)(C)[N]3=1)(C)C)(C)C
Title of publication	Use of HNO3 as the source of NO to prepare a nitric oxide complex of ruthenium
Authors of publication	Drew, Michael G. B.; Nag, Samik; Datta, Dipankar
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	17
Pages of publication	2298 - 2302
a	20.17 ± 0.003 Å
b	11.896 ± 0.002 Å
c	10.1839 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	2443.5 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0595
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0968
Goodness-of-fit parameter for all reflections included in the refinement	0.854
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
301846 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 7/00/ Each referenced PubChem compound corresponds to the full crystal structure.	7003736.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7003736.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003736.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003736.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003736.cif