Crystallography Open Database

Information card for entry 4068784

Preview

Coordinates	4068784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C69 H60 Cl3 N0 O3 Os P3
Calculated formula	C69 H60 Cl3 O3 Os P3
SMILES	[Os]123([CH](C(=C(O3)OCC)[P+](c3ccccc3)(c3ccccc3)c3ccccc3)=[CH]1C2C(=O)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)Cl.C(Cl)Cl
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	14.9807 ± 0.0002 Å
b	25.0138 ± 0.0004 Å
c	16.0283 ± 0.0002 Å
α	90°
β	95.675 ± 0.001°
γ	90°
Cell volume	5976.75 ± 0.15 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0461
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0433
Weighted residual factors for all reflections included in the refinement	0.0448
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
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.	4068784.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068784.cif
39973	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068784 via cif-deposit CGI script.	4068784.cif