Crystallography Open Database

Information card for entry 4070310

Preview

Coordinates	4070310.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H29 B F8 N4 P2 Ru
Calculated formula	C38 H29 B F8 N4 P2 Ru
Title of publication	Synthesis of a Ruthenium(II) Complex Containing an [11]ane-P2CNHC(NHC = Imidazolidin-2-ylidene) Macrocycle
Authors of publication	Flores-Figueroa, Aarón; Kaufhold, Oliver; Hepp, Alexander; Fröhlich, Roland; Hahn, F. Ekkehardt
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	21
Pages of publication	6362
a	10.0935 ± 0.0007 Å
b	16.0492 ± 0.0012 Å
c	10.9204 ± 0.0009 Å
α	90°
β	93.071 ± 0.005°
γ	90°
Cell volume	1766.5 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0675
Residual factor for significantly intense reflections	0.0609
Weighted residual factors for significantly intense reflections	0.1538
Weighted residual factors for all reflections included in the refinement	0.1611
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4070310.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070310.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070310.cif
40683	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070308, 4070309, 4070310, 4070311 via cif-deposit CGI script.	4070310.cif