Crystallography Open Database

Information card for entry 4336699

Preview

Coordinates	4336699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H20 O5 P Re
Calculated formula	C21 H20 O5 P Re
SMILES	[Re]1([P](c2ccccc2)(c2ccccc2)C)([O]=C(C)C=C(O1)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	8.15627 ± 0.00015 Å
b	8.77185 ± 0.00016 Å
c	14.6828 ± 0.0003 Å
α	81.1711 ± 0.0009°
β	85.3477 ± 0.0009°
γ	85.7727 ± 0.0008°
Cell volume	1032.62 ± 0.03 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0408
Residual factor for significantly intense reflections	0.0398
Weighted residual factors for significantly intense reflections	0.0902
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	1.54186 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.	4336699.cif
102715	2014-02-22	cif/ Adding structures of 4336699 via cif-deposit CGI script.	4336699.cif