Crystallography Open Database

Information card for entry 4071186

Preview

Coordinates	4071186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H27 Br Os
Calculated formula	C18 H27 Br Os
SMILES	[Os]1234567(Br)([c]8([c]1([c]2([c]3([c]48C)C)C)C)C)[CH]1=[CH]5CC[CH]6=[CH]7CC1
Title of publication	Synthesis and Protonation Studies of Cp*Os(dppe)H: Kinetic versus Thermodynamic Control
Authors of publication	Dub, Pavel A.; Belkova, Natalia V.; Lyssenko, Konstantin A.; Silantyev, Gleb A.; Epstein, Lina M.; Shubina, Elena S.; Daran, Jean-Claude; Poli, Rinaldo
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	13
Pages of publication	3307
a	8.7839 ± 0.0003 Å
b	13.3233 ± 0.0004 Å
c	14.1332 ± 0.0005 Å
α	90°
β	97.17 ± 0.003°
γ	90°
Cell volume	1641.08 ± 0.1 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0413
Weighted residual factors for significantly intense reflections	0.1112
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.104
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
178600 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/11.	4071186.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071186.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071186.cif
43098	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071186, 4071187, 4071188 via cif-deposit CGI script.	4071186.cif