Crystallography Open Database

Information card for entry 4068783

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Structure parameters

Formula	C51.25 H46.5 Cl4.5 O3 Os P2
Calculated formula	C51.25 H46.5 Cl4.5 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	12.0519 ± 0.0007 Å
b	13.0418 ± 0.0007 Å
c	18.7115 ± 0.0008 Å
α	102.253 ± 0.001°
β	100.866 ± 0.001°
γ	111.483 ± 0.003°
Cell volume	2557.2 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0492
Residual factor for significantly intense reflections	0.0367
Weighted residual factors for significantly intense reflections	0.1198
Weighted residual factors for all reflections included in the refinement	0.1227
Goodness-of-fit parameter for all reflections included in the refinement	1.067
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.	4068783.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.	4068783.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068783.cif
39972	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068783 via cif-deposit CGI script.	4068783.cif