Crystallography Open Database

Information card for entry 4064346

Preview

Coordinates	4064346.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	6satMesHG2
Formula	C38 H46 Cl2 N2 O Ru
Calculated formula	C38 H46 Cl2 N2 O Ru
SMILES	[Ru]1(Cl)([O](c2c(C=1)cccc2)C(C)C)(=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)Cl.c1ccccc1
Title of publication	Olefin Metathesis Catalysts ContainingN,N′-Diamidocarbenes
Authors of publication	Moerdyk, Jonathan P.; Bielawski, Christopher W.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	8
Pages of publication	2278
a	9.035 ± 0.005 Å
b	36.801 ± 0.005 Å
c	10.84 ± 0.005 Å
α	90 ± 0.005°
β	99.37 ± 0.005°
γ	90 ± 0.005°
Cell volume	3556 ± 3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.0768
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1596
Weighted residual factors for all reflections included in the refinement	0.1766
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178537 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/43.	4064346.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064346.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064346.cif
32871	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064346, 4064347, 4064348, 4064349, 4064350 via cif-deposit CGI script.	4064346.cif