Crystallography Open Database

Information card for entry 4326255

Preview

Coordinates	4326255.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H47 F18 N10 O3 Os2 P3
Calculated formula	C47 H47 F18 N10 O3 Os2 P3
SMILES	[Os]1234(O[Os]567([O]=C(O1)c1ccccc1)[N](Cc1[n]5cccc1)(Cc1[n]6cccc1)Cc1[n]7cccc1)[N](Cc1[n]2cccc1)(Cc1[n]3cccc1)Cc1[n]4cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC
Title of publication	Synthesis and Properties of Oxo-carboxylato- and Dioxo-Bridged Diosmium Complexes of Tris(2-pyridylmethyl)amine
Authors of publication	Hideki Sugimoto; Kazuhiro Kitayama; Kenji Ashikari; Chikako Matsunami; Naomi Ueda; Keisuke Umakoshi; Yuko Hosokoshi; Yoichi Sasaki; Shinobu Itoh
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	9014 - 9023
a	12.0808 ± 0.0012 Å
b	19.319 ± 0.0018 Å
c	23.521 ± 0.002 Å
α	90°
β	100.427 ± 0.001°
γ	90°
Cell volume	5398.9 ± 0.9 Å³
Cell temperature	113.1 K
Ambient diffraction temperature	113 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for all reflections included in the refinement	0.1568
Goodness-of-fit parameter for all reflections included in the refinement	0.656
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4326255.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326255.cif
47308	2012-03-23	../uploads/cif-deposit/cod/cif Adding structures of 4326255 via cif-deposit CGI script.	4326255.cif