Crystallography Open Database

Information card for entry 4112132

Preview

Coordinates	4112132.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 F6 N5 O2 P Ru
Calculated formula	C28 H38 F6 N5 O2 P Ru
SMILES	[Ru]123(Oc4ccccc4C=[N]2[C@H]2CCCC[C@@H]2[N]3=Cc2ccccc2O1)([NH]1CCCC1)NN1CCCC1.[P](F)(F)(F)(F)(F)[F-].[Ru]123(Oc4ccccc4C=[N]2[C@@H]2CCCC[C@H]2[N]3=Cc2ccccc2O1)([NH]1CCCC1)NN1CCCC1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Highly Electrophilic (Salen)ruthenium(VI) Nitrido Complexes
Authors of publication	Wai-Lun Man; Tsz-Man Tang; Tsz-Wing Wong; Tai-Chu Lau; Shie-Ming Peng; Wing-Tak Wong
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	478 - 479
a	11.3517 ± 0.0001 Å
b	27.5955 ± 0.0003 Å
c	9.843 ± 0.0001 Å
α	90°
β	90.7092 ± 0.0005°
γ	90°
Cell volume	3083.14 ± 0.05 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1245
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.203
Weighted residual factors for all reflections included in the refinement	0.229
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
178892 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/21.	4112132.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112132.cif
64494	2012-08-17	cif/ Adding structures of 4112132 via cif-deposit CGI script.	4112132.cif