Crystallography Open Database

Information card for entry 4103927

Preview

Coordinates	4103927.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C71 H87 B Cl2 N2 O Os P2
Calculated formula	C71 H87 B Cl2 N2 O Os P2
SMILES	[Os]([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)([N]#CC)([N]#CC)(C1=CC(c2ccccc2)(c2ccccc2)C(=C1)c1ccccc1)C#[O].ClCCl.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Nazarov Type Cyclization on an Osmium-Dienylcarbene Complex
Authors of publication	Tamara Bolaño; Ricardo Castarlenas; Miguel A. Esteruelas; Enrique Oñate
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	2064 - 2065
a	13.297 ± 0.003 Å
b	13.818 ± 0.003 Å
c	18.023 ± 0.003 Å
α	93.172 ± 0.003°
β	101.882 ± 0.003°
γ	91.269 ± 0.003°
Cell volume	3233.7 ± 1.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0781
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1382
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
178785 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/39.	4103927.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103927.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103927.cif
28404	2011-10-26	../uploads/cif-deposit/cod/cif Adding structures of 4103927 via cif-deposit CGI script.	4103927.cif