Crystallography Open Database

Information card for entry 7715475

Preview

Coordinates	7715475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C59 H49 Gd N6 O9 P2
Calculated formula	C59 H49 Gd N6 O9 P2
SMILES	[Gd]12345([O]=P(c6ccccc6)(c6ccccc6)c6ccccc6)([O]=N(O1)=O)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)OC(=N[N]3=C(c1[n]4c(ccc1)C(=[N]5N=C(O2)c1ccccc1O)C)C)c1ccccc1O
Title of publication	Selective fluoride sensing by a novel series of lanthanide-based one-dimensional coordination polymers through intramolecular proton transfer.
Authors of publication	Singh, Vaibhav; Suresh, Lakshmi Thachanadan; Sutter, Jean-Pascal; Bar, Arun Kumar
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	17
Pages of publication	7436 - 7449
a	12.7779 ± 0.0004 Å
b	18.8824 ± 0.0005 Å
c	24.0303 ± 0.0006 Å
α	90°
β	103.119 ± 0.001°
γ	90°
Cell volume	5646.6 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0572
Residual factor for significantly intense reflections	0.0375
Weighted residual factors for significantly intense reflections	0.0945
Weighted residual factors for all reflections included in the refinement	0.1043
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
291608 (current)	2024-05-05	cif/ Updating files of 7715474, 7715475, 7715476, 7715477, 7715478, 7715479 Original log message: Adding full bibliography for 7715474--7715479.cif.	7715475.cif
290586	2024-03-22	cif/ Adding structures of 7715474, 7715475, 7715476, 7715477, 7715478, 7715479 via cif-deposit CGI script.	7715475.cif