Crystallography Open Database

Information card for entry 7116352

Preview

Coordinates	7116352.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ru(bpy)2(py-SO3)]PF6
Formula	C29 H26 F6 N7 O3 P Ru S
Calculated formula	C29 H26 F6 N7 O3 P Ru S
Title of publication	DNA photocleavage in anaerobic conditions by a Ru(II) complex: a new mechanism
Authors of publication	Yue Zheng; Qianxiong Zhou; Wanhua Lei; Yuanjun Hou; Ke Li; Yongjie Chen; Baowen Zhang; Xuesong Wang
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	428
a	13.6846 ± 0.0019 Å
b	22.956 ± 0.003 Å
c	20.732 ± 0.003 Å
α	90°
β	98.493 ± 0.002°
γ	90°
Cell volume	6441.4 ± 1.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	8
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	0.0487
Residual factor for significantly intense reflections	0.0441
Weighted residual factors for significantly intense reflections	0.1043
Weighted residual factors for all reflections included in the refinement	0.1082
Goodness-of-fit parameter for all reflections included in the refinement	0.999
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
180277 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/63.	7116352.cif
129609	2015-01-14	cif/ Adding structures of 7116352 via cif-deposit CGI script.	7116352.cif