Crystallography Open Database

Information card for entry 7715617

Preview

Coordinates	7715617.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H69 F18 O8 P2 Tb
Calculated formula	C51 H69 F18 O8 P2 Tb
SMILES	[Tb]123([O]=P(C4CCCCC4)(C4CCCCC4)C4CCCCC4)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)(OC(=CC(C(F)(F)F)=[O]3)C(F)(F)F)([O]=P(C2CCCCC2)(C2CCCCC2)C2CCCCC2)OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F
Title of publication	Effective photosensitized emission of a Tb(III) complex using a β-diketonate photosensitizer and an oxygen barrier system in a thermally populated triplet state.
Authors of publication	Inage, Kota; Wang, Mengfei; Hasegawa, Yasuchika; Kitagawa, Yuichi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	20
Pages of publication	8555 - 8562
a	17.91 ± 0.0006 Å
b	18.7471 ± 0.0006 Å
c	17.3371 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5821.1 ± 0.3 Å³
Cell temperature	123.15 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	6
Space group number	29
Hermann-Mauguin space group symbol	P c a 21
Hall space group symbol	P 2c -2ac
Residual factor for all reflections	0.0887
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.2243
Weighted residual factors for all reflections included in the refinement	0.2366
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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
293087 (current)	2024-07-05	cif/ Updating files of 7715615, 7715616, 7715617, 7715618 Original log message: Adding full bibliography for 7715615--7715618.cif.	7715617.cif
290762	2024-04-04	cif/ Adding structures of 7715615, 7715616, 7715617, 7715618 via cif-deposit CGI script.	7715617.cif