Crystallography Open Database

Information card for entry 4336698

Preview

Coordinates	4336698.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H22 O5 P Re
Calculated formula	C26 H22 O5 P Re
SMILES	[Re]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([O]=C(C=C(O1)C)C)(C#[O])(C#[O])C#[O]
Title of publication	Synthesis and Characterization of fac-[M(CO)3(P)(OO)] and cis-trans-[M(CO)2(P)2(OO)] Complexes (M = Re,99mTc) with Acetylacetone and Curcumin as OO Donor Bidentate Ligands
Authors of publication	Charalampos Triantis; Theodoros Tsotakos; Charalampos Tsoukalas; Marina Sagnou; Catherine Raptopoulou; Aris Terzis; Vassilis Psycharis; Maria Pelecanou; Ioannis Pirmettis; Minas Papadopoulos
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	12995 - 13003
a	8.8359 ± 0.0001 Å
b	14.7292 ± 0.0002 Å
c	18.2243 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2371.81 ± 0.06 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P c 21 n
Hall space group symbol	P -2n -2ac
Residual factor for all reflections	0.0271
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0646
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179469 (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 4/33/66.	4336698.cif
102714	2014-02-22	cif/ Adding structures of 4336698 via cif-deposit CGI script.	4336698.cif