Crystallography Open Database

Information card for entry 7707169

Preview

Coordinates	7707169.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	TbPCF
Formula	C96 H90 N4 O49 P6 Tb7
Calculated formula	C98.0012 H88.798 N4 O47.8004 P6 Tb6.5
Title of publication	Multimetal lanthanide phosphonocarboxylate frameworks: structures, colour tuning and near-infrared emission.
Authors of publication	Jing, Huiru; Dan, Wenyan; Zhu, Jiaxing; Ling, Yun; Jia, Yu; Yang, Yongtai; Liu, Xiaofeng; Chen, Zhenxia; Zhou, Yaming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	21
Pages of publication	7380 - 7387
a	14.4585 ± 0.0004 Å
b	20.3696 ± 0.0006 Å
c	22.7805 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	6709.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	58
Hermann-Mauguin space group symbol	P n n m
Hall space group symbol	-P 2 2n
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0562
Weighted residual factors for significantly intense reflections	0.1531
Weighted residual factors for all reflections included in the refinement	0.1703
Goodness-of-fit parameter for all reflections included in the refinement	1.031
Diffraction radiation probe	Helios Multi--layer Optic
Diffraction radiation wavelength	1.34139 Å
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
266097 (current)	2021-06-05	cif/ Updating files of 7707169, 7707170, 7707171 Original log message: Adding full bibliography for 7707169--7707171.cif.	7707169.cif
264434	2021-04-23	cif/ Adding structures of 7707169, 7707170, 7707171 via cif-deposit CGI script.	7707169.cif