Crystallography Open Database

Information card for entry 4335031

Preview

Coordinates	4335031.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H72 Cl3 Li N4 Si2 Sm2
Calculated formula	C56 H72 Cl3 Li N4 Si2 Sm2
SMILES	[Sm]123456789%10%11[Cl][Li]([Cl]1)([N](CC[c]1%10[cH]%11[c]8([Si]([c]83[c]34cccc[c]53[c]6([cH]78)CC[N]2(C)C)(C)C)[c]29[c]1cccc2)(C)C)[N](CC[c]12[cH]3[Sm]456789%10%111(Cl)[N](CC[c]1%10[cH]%11[c]7([Si]([c]34[c]35[c]26cccc3)(C)C)[c]28cccc[c]912)(C)C)(C)C
Title of publication	Controlled Synthesis of Racemic Indenyl Rare-Earth Metal Complexes via the Cooperation between the Intramolecular Coordination of Donor Atoms and a Bridge
Authors of publication	Shuangliu Zhou; Zhangshuan Wu; Lingmin Zhou; Shaowu Wang; Lijun Zhang; Xiancui Zhu; Yun Wei; Jinhua Zhai; Jie Wu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6417 - 6426
a	9.0522 ± 0.0007 Å
b	18.1657 ± 0.0013 Å
c	18.2189 ± 0.0013 Å
α	106.423 ± 0.001°
β	90.304 ± 0.001°
γ	100.4 ± 0.001°
Cell volume	2821.4 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0496
Residual factor for significantly intense reflections	0.0325
Weighted residual factors for significantly intense reflections	0.061
Weighted residual factors for all reflections included in the refinement	0.0644
Goodness-of-fit parameter for all reflections included in the refinement	1.26
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
179453 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/50.	4335031.cif
100935	2014-02-10	cif/ Adding structures of 4335031 via cif-deposit CGI script.	4335031.cif