Crystallography Open Database

Information card for entry 4335026

Preview

Coordinates	4335026.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 N2 Si Sm
Calculated formula	C30 H40 N2 Si Sm
SMILES	[Sm]123456789%10%11[N](CCC[c]%12%11[cH]%10[c]9([Si]([c]92[cH]1[c]5([c]13cccc[c]491)CCC[N]6(C)C)(C)C)[c]18[c]7%12cccc1)(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	14.4602 ± 0.0011 Å
b	17.4472 ± 0.0013 Å
c	22.0605 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	5565.6 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1112
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0729
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	0.939
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
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.	4335026.cif
100930	2014-02-10	cif/ Adding structures of 4335026 via cif-deposit CGI script.	4335026.cif