Crystallography Open Database

Information card for entry 7206767

7206766 << 7206767 >> 7206768

Preview

Coordinates	7206767.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H22 Cl3 N7 Ru
Calculated formula	C29 H22 Cl3 N7 Ru
SMILES	c1cccc2[n]1[Ru]13(Cl)(N4C(c5ccccc5C4=Nc4cccc[n]14)=N2)[n]1ccccc1c1cccc[n]31.C(Cl)Cl
Title of publication	Carbon dioxide reduction by mononuclear ruthenium polypyridyl complexes.
Authors of publication	Planas, Nora; Ono, Takashi; Vaquer, Lydia; Miró, Pere; Benet-Buchholz, Jordi; Gagliardi, Laura; Cramer, Christopher J.; Llobet, Antoni
Journal of publication	Physical chemistry chemical physics : PCCP
Year of publication	2011
Journal volume	13
Journal issue	43
Pages of publication	19480 - 19484
a	9.2018 ± 0.0004 Å
b	17.8945 ± 0.0008 Å
c	16.4125 ± 0.0007 Å
α	90°
β	90.386 ± 0.002°
γ	90°
Cell volume	2702.4 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.031
Weighted residual factors for significantly intense reflections	0.0864
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for all reflections included in the refinement	1.184
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
180398 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/67.	7206767.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206767.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206767.cif
30007	2011-11-09	../uploads/cif-deposit/cod/cif Adding structures of 7206767 via cif-deposit CGI script.	7206767.cif