Crystallography Open Database

Information card for entry 7150828

Preview

Coordinates	7150828.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 N4 O13 Os
Calculated formula	C20 H22 N4 O13 Os
SMILES	[Os]12(O[C@]3(C(=O)NC(=O)N([C@H]3O1)[C@@H]1O[C@@H]([C@@H](O)C1)CO)C)(=O)(=O)[n]1c(cccc1)c1[n]2cccc1.O.O.O.O
Title of publication	Synthesis and characterization of the 5-methyl-2′-deoxycytidine glycol‒dioxoosmium‒bipyridine ternary complex in DNA
Authors of publication	Umemoto, Tadashi; Okamoto, Akimitsu
Journal of publication	Organic & Biomolecular Chemistry
Year of publication	2008
Journal volume	6
Journal issue	2
Pages of publication	269 - 271
a	11.4747 ± 0.0013 Å
b	6.7238 ± 0.0007 Å
c	15.8519 ± 0.0019 Å
α	90°
β	97.2644 ± 0.0018°
γ	90°
Cell volume	1213.2 ± 0.2 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0212
Residual factor for significantly intense reflections	0.0176
Weighted residual factors for significantly intense reflections	0.045
Weighted residual factors for all reflections included in the refinement	0.0456
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
180294 (current)	2016-03-26	cif/7/15/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/15/08.	7150828.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7150828.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7150828.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.	7150828.cif