Crystallography Open Database

Information card for entry 4331482

Preview

Coordinates	4331482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H16 I2 N2 O2 Os
Calculated formula	C26 H16 I2 N2 O2 Os
SMILES	[Os]1(I)(I)([n]2ccc(c3ccc4c(cc[n]1c4c23)c1ccccc1)c1ccccc1)(C#[O])C#[O]
Title of publication	Synthesis, Characterization, and Photophysical Properties of Os(II) Diimine Complexes [Os(N∧N)(CO)2I2] (N∧N = Bipyridine, Phenanthroline, and Pyridyl Benzoxazole)
Authors of publication	Chen, Yao-Lun; Lee, Shih-Wen; Chi, Yun; Hwang, Kuo-Chu; Kumar, Sujit Baran; Hu, Ya-Hui; Cheng, Yi-Ming; Chou, Pi-Tai; Peng, Shie-Ming; Lee, Gene-Hsiang; Yeh, Shi-Jay; Chen, Chin-Ti
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Journal issue	12
Pages of publication	4287 - 4294
a	7.3613 ± 0.0003 Å
b	19.6365 ± 0.0009 Å
c	16.9027 ± 0.0007 Å
α	90°
β	93.313 ± 0.001°
γ	90°
Cell volume	2439.2 ± 0.18 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
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	0.0633
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.109
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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
179417 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/14.	4331482.cif
97643	2014-01-29	cif/ Adding structures of 4331482 via cif-deposit CGI script.	4331482.cif