Crystallography Open Database

Information card for entry 7241688

Preview

Coordinates	7241688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H24
Calculated formula	C26 H24
SMILES	C1(=C(CC(=C1)c1ccc(cc1)C)c1ccc(cc1)C)c1ccc(cc1)C
Title of publication	Highly fluorescent aryl-cyclopentadienyl ligands and their tetra-nuclear mixed metallic potassium‒dysprosium clusters
Authors of publication	Arumugam, Selvakumar; Reddy, Pulikanti Guruprasad; Francis, Maria; Kulkarni, Aditya; Roy, Sudipta; Mondal, Kartik Chandra
Journal of publication	RSC Advances
Year of publication	2020
Journal volume	10
Journal issue	65
Pages of publication	39366 - 39372
a	22.059 ± 0.002 Å
b	22.2927 ± 0.0012 Å
c	7.6696 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3771.6 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	2
Space group number	45
Hermann-Mauguin space group symbol	I b a 2
Hall space group symbol	I 2 -2c
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.1011
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
259592 (current)	2020-12-06	cif/ Adding structures of 7241687, 7241688, 7241689, 7241690 via cif-deposit CGI script.	7241688.cif