Crystallography Open Database

Information card for entry 7704634

Preview

Coordinates	7704634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H120 Gd N3 O6
Calculated formula	C84 H120 Gd N3 O6
Title of publication	Structural and spectroscopic investigations of nine-coordinate redox active lanthanide complexes with a pincer O,N,O ligand.
Authors of publication	Mouchel Dit Leguerrier, D.; Barré, R; Bryden, M.; Imbert, D.; Philouze, C.; Jarjayes, O.; Luneau, D.; Molloy, J. K.; Thomas, F.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	24
Pages of publication	8238 - 8246
a	13.308 ± 0.003 Å
b	21.282 ± 0.004 Å
c	29.272 ± 0.006 Å
α	90°
β	93.35 ± 0.03°
γ	90°
Cell volume	8276 ± 3 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
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	0.0856
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1067
Weighted residual factors for all reflections included in the refinement	0.126
Goodness-of-fit parameter for all reflections included in the refinement	1.125
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
253857 (current)	2020-07-06	cif/ Updating files of 7704633, 7704634 Original log message: Adding full bibliography for 7704633--7704634.cif.	7704634.cif
252969	2020-06-06	cif/ Adding structures of 7704633, 7704634 via cif-deposit CGI script.	7704634.cif