Crystallography Open Database

Information card for entry 4071637

Preview

Coordinates	4071637.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Cl N3 O1.5 Ru
Calculated formula	C28 H36 Cl N3 O1.5 Ru
SMILES	[Ru]12345(Cl)([n]6c(N7C=5Nc5ccccc75)cccc6)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C.O1CCCC1.O1CCCC1
Title of publication	Isolation and Interconversion of ProticN-Heterocyclic Carbene and Imidazolyl Complexes: Application to Catalytic Dehydrative Condensation ofN-(2-Pyridyl)benzimidazole and Allyl Alcohol
Authors of publication	Araki, Kenjirou; Kuwata, Shigeki; Ikariya, Takao
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	10
Pages of publication	2176
a	12.033 ± 0.007 Å
b	15.396 ± 0.01 Å
c	28.972 ± 0.017 Å
α	90°
β	91.024 ± 0.01°
γ	90°
Cell volume	5366 ± 6 Å³
Cell temperature	193.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.1445
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
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.	4071637.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071637.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071637.cif
43958	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071637, 4071638, 4071639, 4071640, 4071641 via cif-deposit CGI script.	4071637.cif