Crystallography Open Database

Information card for entry 7222110

Preview

Coordinates	7222110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H34 O23 P6 Tb2
Calculated formula	C21 H33.9996 O23 P6 Tb2
Title of publication	Lanthanide diphosphonates based on a V-shaped ligand: syntheses, structures, experimental and theoretical luminescence properties
Authors of publication	Tang, Si-Fu; Li, Xuebing
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	40
Pages of publication	7723
a	16.0134 ± 0.0011 Å
b	16.0134 ± 0.0011 Å
c	16.0134 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	4106.3 ± 0.5 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	5
Space group number	199
Hermann-Mauguin space group symbol	I 21 3
Hall space group symbol	I 2b 2c 3
Residual factor for all reflections	0.0438
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0868
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
171092 (current)	2015-12-09	cif/ Updating files of 7222107, 7222108, 7222109, 7222110 Original log message: Adding full bibliography for 7222107--7222110.cif.	7222110.cif
155881	2015-09-12	cif/ Adding structures of 7222107, 7222108, 7222109, 7222110 via cif-deposit CGI script.	7222110.cif