Crystallography Open Database

Information card for entry 4336700

Preview

Coordinates	4336700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H37 O4 P2 Re
Calculated formula	C43 H37 O4 P2 Re
SMILES	c1(ccccc1)[P]([Re]1(C#[O])([P](c2ccccc2)(c2ccccc2)c2ccccc2)(C#[O])OC(=CC(C)=[O]1)C)(c1ccccc1)c1ccccc1
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	15.579 ± 0.0002 Å
b	9.4479 ± 0.0001 Å
c	25.0922 ± 0.0005 Å
α	90°
β	101.587 ± 0.001°
γ	90°
Cell volume	3618.03 ± 0.09 Å³
Cell temperature	160 ± 2 K
Ambient diffraction temperature	160 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0489
Residual factor for significantly intense reflections	0.0449
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1058
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
179470 (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 4/33/67.	4336700.cif
102717	2014-02-22	cif/ Adding structures of 4336700 via cif-deposit CGI script.	4336700.cif