Crystallography Open Database

Information card for entry 7037158

Preview

Coordinates	7037158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H46 F3 N3 O9 P Rh S
Calculated formula	C38 H46 F3 N3 O9 P Rh S
SMILES	[Rh]12345([P]67CN8CN(C6)CN(C7)C8)([O]=C(/C=C/c6cc(OC)c(O)cc6)C=C(O1)\C=C\c1cc(OC)c(O)cc1)[c]1([c]5([c]4([c]3([c]21C)C)C)C)C.C(F)(F)(F)S(=O)(=O)[O-]
Title of publication	Organometallic rhodium(iii) and iridium(iii) cyclopentadienyl complexes with curcumin and bisdemethoxycurcumin co-ligands.
Authors of publication	Pettinari, Riccardo; Marchetti, Fabio; Pettinari, Claudio; Condello, Francesca; Petrini, Agnese; Scopelliti, Rosario; Riedel, Tina; Dyson, Paul J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	47
Pages of publication	20523 - 20531
a	9.6907 ± 0.0005 Å
b	13.8415 ± 0.0016 Å
c	16.1294 ± 0.0016 Å
α	71.423 ± 0.008°
β	88.332 ± 0.007°
γ	76.42 ± 0.006°
Cell volume	1991 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0558
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0754
Weighted residual factors for all reflections included in the refinement	0.084
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
171254 (current)	2015-12-09	cif/ Updating files of 7037158, 7037159, 7037160 Original log message: Adding full bibliography for 7037158--7037160.cif.	7037158.cif
170243	2015-11-12	cif/ Adding structures of 7037158, 7037159, 7037160 via cif-deposit CGI script.	7037158.cif