Crystallography Open Database

Information card for entry 7036531

Preview

Coordinates	7036531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C65 H123 N3 Nd3 O3 Si3
Calculated formula	C65 H123 N3 Nd3 O3 Si3
Title of publication	Rare-earth metal methylidene complexes with Ln3(μ3-CH2)(μ3-Me)(μ2-Me)3 core structure.
Authors of publication	Schädle, Dorothea; Meermann-Zimmermann, Melanie; Maichle-Mössmer, Cäcilia; Schädle, Christoph; Törnroos, Karl W; Anwander, Reiner
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	41
Pages of publication	18101 - 18110
a	11.7297 ± 0.0006 Å
b	25.9702 ± 0.0018 Å
c	26.3476 ± 0.0014 Å
α	90°
β	97.592 ± 0.004°
γ	90°
Cell volume	7955.7 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1237
Residual factor for significantly intense reflections	0.0681
Weighted residual factors for significantly intense reflections	0.1196
Weighted residual factors for all reflections included in the refinement	0.1358
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
171188 (current)	2015-12-09	cif/ Updating files of 7036525, 7036526, 7036527, 7036528, 7036529, 7036530, 7036531, 7036532, 7036533, 7036534 Original log message: Adding full bibliography for 7036525--7036534.cif.	7036531.cif
156344	2015-09-16	cif/ Adding structures of 7036525, 7036526, 7036527, 7036528, 7036529, 7036530, 7036531, 7036532, 7036533, 7036534 via cif-deposit CGI script.	7036531.cif