Crystallography Open Database

Information card for entry 4069835

Preview

Coordinates	4069835.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59.25 H82.5 Cl2.5 F12 N2 O4 P2 Ru2 Si2
Calculated formula	C59.25 H82.5 Cl2.5 F12 N2 O4 P2 Ru2 Si2
Title of publication	Ruthenium-Catalyzed Nucleophilic Allylic Substitution Reactions from β-Silylated Allylic Carbonates
Authors of publication	Zhang, Hui-Jun; Demerseman, Bernard; Toupet, Loïc; Xi, Zhenfeng; Bruneau, Christian
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5173 - 5182
a	12.603 ± 0.001 Å
b	14.75 ± 0.001 Å
c	18.403 ± 0.001 Å
α	90°
β	98.653 ± 0.006°
γ	90°
Cell volume	3382.1 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.042
Weighted residual factors for significantly intense reflections	0.1156
Weighted residual factors for all reflections included in the refinement	0.1177
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
210314 (current)	2018-09-01	cif/4/ (antanas@kurmis) Updating bibliography in entries 4069834-4069835, 4082277. Marking entry 4082277 as a duplicate of entry 4069834.	4069835.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4069835.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069835.cif
40468	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069835 via cif-deposit CGI script.	4069835.cif