Crystallography Open Database

Information card for entry 7036033

Preview

Coordinates	7036033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C68 H66 B2 N8 O3 P2 Ru
Calculated formula	C68 H66 B2 N8 O3 P2 Ru
SMILES	[Ru]12([N]#N=C(c3ccccc3)c3ccc(cc3)C)([P](OC)(OC)OC)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Diazoalkane complexes of ruthenium with tris(pyrazolyl)borate and bis(pyrazolyl)acetate ligands.
Authors of publication	Albertin, Gabriele; Antoniutti, Stefano; Bortoluzzi, Marco; Castro, Jesús; Marzaro, Lidia
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	35
Pages of publication	15470 - 15480
a	9.8284 ± 0.0005 Å
b	17.411 ± 0.0008 Å
c	19.4494 ± 0.0009 Å
α	89.2778 ± 0.0018°
β	77.1894 ± 0.0017°
γ	79.0992 ± 0.0018°
Cell volume	3185.3 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0627
Residual factor for significantly intense reflections	0.0513
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1404
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
161295 (current)	2015-10-09	cif/ Updating files of 7036033 Original log message: Adding full bibliography for 7036033.cif.	7036033.cif
152716	2015-08-04	cif/ Adding structures of 7036033 via cif-deposit CGI script.	7036033.cif