Crystallography Open Database

Information card for entry 7036534

Preview

Coordinates	7036534.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H64 Al La N2 Si2
Calculated formula	C34 H64 Al La N2 Si2
SMILES	c1(c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[La]1([CH3][Al]([CH3]1)(C)C)N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C
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	18.0563 ± 0.0011 Å
b	17.8725 ± 0.0011 Å
c	12.2151 ± 0.0008 Å
α	90°
β	104.133 ± 0.001°
γ	90°
Cell volume	3822.6 ± 0.4 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.0427
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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
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.	7036534.cif
156344	2015-09-16	cif/ Adding structures of 7036525, 7036526, 7036527, 7036528, 7036529, 7036530, 7036531, 7036532, 7036533, 7036534 via cif-deposit CGI script.	7036534.cif