Crystallography Open Database

Information card for entry 7707170

Preview

Coordinates	7707170.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	GdPCF
Formula	C96 H76 Gd7 N4 O49 P6
Calculated formula	C98.002 H70 Gd6.5 N4 O48 P6
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	14.4962 ± 0.0006 Å
b	20.3758 ± 0.0008 Å
c	22.8688 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	6754.8 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0789
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1571
Weighted residual factors for all reflections included in the refinement	0.1742
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
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.	7707170.cif
264434	2021-04-23	cif/ Adding structures of 7707169, 7707170, 7707171 via cif-deposit CGI script.	7707170.cif