Crystallography Open Database

Information card for entry 7247623

Preview

Coordinates	7247623.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H50 Cl6 N16 O9 Yb2
Calculated formula	C56 H50 Cl6 N16 O9 Yb2
Title of publication	Supporting coordination through hydrogen bonding in lanthanide complexes of 7-azaindole-N-oxide
Authors of publication	Wood, Oskar G.; Jones, Leanne; Hawes, Chris S.
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	45
Pages of publication	6371 - 6378
a	13.2616 ± 0.0004 Å
b	16.7698 ± 0.0006 Å
c	16.9393 ± 0.0006 Å
α	118.495 ± 0.001°
β	93.043 ± 0.001°
γ	103.059 ± 0.001°
Cell volume	3167.76 ± 0.19 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0832
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.0743
Weighted residual factors for all reflections included in the refinement	0.0852
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
288809 (current)	2024-01-06	cif/ Updating files of 7247622, 7247623, 7247624, 7247625, 7247626, 7247627, 7247628 Original log message: Adding full bibliography for 7247622--7247628.cif.	7247623.cif
287227	2023-11-02	cif/ Adding structures of 7247622, 7247623, 7247624, 7247625, 7247626, 7247627, 7247628 via cif-deposit CGI script.	7247623.cif