Crystallography Open Database

Information card for entry 4068780

Preview

Coordinates	4068780.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.5 H43 Cl3 O2 Os P2
Calculated formula	C42.5 H43 Cl3 O2 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	12.6837 ± 0.0002 Å
b	23.4194 ± 0.0004 Å
c	14.1523 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4203.86 ± 0.13 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0494
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1225
Goodness-of-fit parameter for all reflections included in the refinement	1
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4068780.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068780.cif
39969	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068780 via cif-deposit CGI script.	4068780.cif