Crystallography Open Database

Information card for entry 4068781

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Structure parameters

Formula	C57.5 H51 Cl3 O3 Os P2
Calculated formula	C57.5 H51 Cl3 O3 Os P2
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	13.3346 ± 0.0005 Å
b	13.6669 ± 0.0004 Å
c	16.7686 ± 0.0005 Å
α	104.013 ± 0.003°
β	105.535 ± 0.003°
γ	102.005 ± 0.003°
Cell volume	2732.29 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1634
Weighted residual factors for all reflections included in the refinement	0.1695
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4068781.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.	4068781.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068781.cif
39970	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068781 via cif-deposit CGI script.	4068781.cif