Crystallography Open Database

Information card for entry 4068779

Preview

Coordinates	4068779.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H55 Cl6 O2 Os P3
Calculated formula	C61 H55 Cl6 O2 Os P3
Title of publication	Nine-Membered Osmacycles Derived from Metathesis Reactions between Alkynes and an Osmafuran
Authors of publication	Lin, Yumei; Gong, Lei; Xu, Hui; He, Xumin; Wen, Ting Bin; Xia, Haiping
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	5
Pages of publication	1524
a	12.6801 ± 0.0003 Å
b	21.1499 ± 0.0004 Å
c	21.4017 ± 0.0004 Å
α	90°
β	104.597 ± 0.002°
γ	90°
Cell volume	5554.3 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0386
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0372
Weighted residual factors for all reflections included in the refinement	0.0385
Goodness-of-fit parameter for all reflections included in the refinement	0.876
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178577 (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 4/06/87.	4068779.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068779.cif
39968	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068779 via cif-deposit CGI script.	4068779.cif