Crystallography Open Database

Information card for entry 4326253

Preview

Coordinates	4326253.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H42 F18 N10 O2 Os2 P3
Calculated formula	C40 H42 F18 N10 O2 Os2 P3
SMILES	C1c2cccc[n]2[Os]2345([N]1(Cc1cccc[n]21)Cc1[n]3cccc1)O[Os]1235([N](Cc5cccc[n]15)(Cc1cccc[n]21)Cc1[n]3cccc1)O4.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.[P](F)(F)(F)(F)(F)[F-].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	21.7247 ± 0.0006 Å
b	11.628 ± 0.0003 Å
c	20.829 ± 0.0005 Å
α	90°
β	113.015 ± 0.0008°
γ	90°
Cell volume	4842.9 ± 0.2 Å³
Cell temperature	98 K
Ambient diffraction temperature	98 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0179
Weighted residual factors for all reflections included in the refinement	0.0454
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
179365 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/62.	4326253.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4326253.cif
47306	2012-03-23	../uploads/cif-deposit/cod/cif Adding structures of 4326253 via cif-deposit CGI script.	4326253.cif