Crystallography Open Database

Information card for entry 4085104

Preview

Coordinates	4085104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H38 Cl2 Os P2
Calculated formula	C45 H38 Cl2 Os P2
SMILES	[OsH]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(#C/C=C/c1ccccc1)(Cl)Cl
Title of publication	Synthesis of Five-Membered Osmacycles with Osmium‒Vinyl Bonds from Hydrido Alkenylcarbyne Complexes
Authors of publication	Chen, Jinxiang; Huang, Zi-Ao; Hua, Yuhui; Zhang, Hong; Xia, Haiping
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	1
Pages of publication	340
a	9.5727 ± 0.0003 Å
b	16.8679 ± 0.0004 Å
c	23.5196 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3797.74 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0549
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0441
Weighted residual factors for all reflections included in the refinement	0.0467
Goodness-of-fit parameter for all reflections included in the refinement	0.768
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
178740 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/51.	4085104.cif
130786	2015-02-04	cif/ Updating files of 4085098, 4085099, 4085100, 4085101, 4085102, 4085103, 4085104, 4085105 Original log message: Adding full bibliography for 4085098--4085105.cif.	4085104.cif
129246	2014-12-30	cif/ Adding structures of 4085098, 4085099, 4085100, 4085101, 4085102, 4085103, 4085104, 4085105 via cif-deposit CGI script.	4085104.cif