Crystallography Open Database

Information card for entry 7113326

Preview

Coordinates	7113326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H65 Cl6 N O P2 Ru2
Calculated formula	C55 H65 Cl6 N O P2 Ru2
SMILES	[Ru]12345(Cl)(Cl)([P](C6C(=[NH+]C(C)(C)C)C(=C\O[Ru]789%10%11(Cl)(Cl)[c]%12([cH]7[cH]8[c]9([cH]%10[cH]%11%12)C)C(C)C)/CP=6(c6ccccc6)c6ccccc6)(c6ccccc6)c6ccccc6)[c]6([cH]1[cH]2[c]3([cH]4[cH]56)C)C(C)C.ClCCCl
Title of publication	Synthesis and derivatization of highly-functionalized ?5-phospholes
Authors of publication	Javier Ruiz; Marta P. Gonzalo; Marilin Vivanco; Santiago; Garcia-Grand
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	5597
a	61.933 ± 0.002 Å
b	17.13 ± 0.0004 Å
c	21.7555 ± 0.0007 Å
α	90°
β	94.674 ± 0.003°
γ	90°
Cell volume	23003.9 ± 1.2 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	7
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	0.208
Residual factor for significantly intense reflections	0.1134
Weighted residual factors for significantly intense reflections	0.226
Weighted residual factors for all reflections included in the refinement	0.2743
Goodness-of-fit parameter for all reflections included in the refinement	1.045
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180247 (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 7/11/33.	7113326.cif
114048	2014-05-21	cif/ Adding structures of 7113324, 7113325, 7113326 via cif-deposit CGI script.	7113326.cif