Crystallography Open Database

Information card for entry 7704633

Preview

Coordinates	7704633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86.76 H126.51 Cl1.51 Lu N3 O6.5
Calculated formula	C86.76 H126.52 Cl1.52 Lu N3 O6.5
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	13.322 ± 0.003 Å
b	17.259 ± 0.004 Å
c	20.667 ± 0.004 Å
α	66.58 ± 0.03°
β	88.35 ± 0.03°
γ	87.91 ± 0.03°
Cell volume	4356.9 ± 1.9 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.1652
Residual factor for significantly intense reflections	0.1424
Weighted residual factors for significantly intense reflections	0.3588
Weighted residual factors for all reflections included in the refinement	0.3917
Goodness-of-fit parameter for all reflections included in the refinement	1.679
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.	7704633.cif
252969	2020-06-06	cif/ Adding structures of 7704633, 7704634 via cif-deposit CGI script.	7704633.cif