Crystallography Open Database

Information card for entry 7049512

Preview

Coordinates	7049512.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H21 F18 N6 O6 Pr
Calculated formula	C36 H21 F18 N6 O6 Pr
Title of publication	Red, orange-red and near-infrared light emitting ternary lanthanide tris β-diketonate complexes with distorted C<sub>4v</sub> geometrical structures.
Authors of publication	Ahmed, Zubair; Iftikhar, Khalid
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	15
Pages of publication	4973 - 4986
a	12.0178 ± 0.0003 Å
b	19.05 ± 0.0005 Å
c	19.4319 ± 0.0005 Å
α	90°
β	102.755 ± 0.003°
γ	90°
Cell volume	4338.9 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0743
Residual factor for significantly intense reflections	0.0506
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1417
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
224386 (current)	2019-11-08	cif/ Updating files of 7049510, 7049511, 7049512 Original log message: Adding full bibliography for 7049510--7049512.cif.	7049512.cif
214391	2019-03-28	cif/ Adding structures of 7049510, 7049511, 7049512 via cif-deposit CGI script.	7049512.cif