Crystallography Open Database

Information card for entry 7221003

Preview

Coordinates	7221003.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[P8,8,8,1][Sm(dbm)4]
Formula	C85 H98 O8 P Sm
Calculated formula	C85 H98 O8 P Sm
SMILES	[Sm]1234(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)([O]=C(C=C(O2)c1ccccc1)c1ccccc1)(OC(=CC(=[O]3)c1ccccc1)c1ccccc1)OC(=CC(=[O]4)c1ccccc1)c1ccccc1.[P+](C)(CCCCCCCC)(CCCCCCCC)CCCCCCCC
Title of publication	Phosphonium-based tetrakis dibenzoylmethane Eu(III) and Sm(III) complexes: synthesis, crystal structure and photoluminescence properties in a weakly coordinating phosphonium ionic liquid
Authors of publication	Malba, Chandrashekhar Marotirao; Enrichi, Francesco; Facchin, Manuela; Demitri, Nicola; Plaisier, Jasper Rikkert; Natile, Marta Maria; Selva, Maurizio; Riello, Pietro; Perosa, Alvise; Benedetti, A.
Journal of publication	RSC Adv.
Year of publication	2015
a	16.169 ± 0.003 Å
b	22.341 ± 0.004 Å
c	20.962 ± 0.002 Å
α	90°
β	100.6 ± 0.02°
γ	90°
Cell volume	7443 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1197
Residual factor for significantly intense reflections	0.0879
Weighted residual factors for significantly intense reflections	0.2248
Weighted residual factors for all reflections included in the refinement	0.2559
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.6525 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
139948 (current)	2015-07-03	cif/ Adding structures of 7221002, 7221003 via cif-deposit CGI script.	7221003.cif