Crystallography Open Database

Information card for entry 4030774

Preview

Coordinates	4030774.cif

Structure parameters

Formula	C40 H58 O4 Sm2
Calculated formula	C40 O4 Sm2
SMILES	[Sm]123456789([c]%10([c]7([c]6([cH]5[c]8%10C)C)C)C)([cH]5[c]1([c]2([c]3([c]45C)C)C)C)[O]=C(C)O[Sm]12345678([cH]%10[c]1([c]2([c]3([c]4%10C)C)C)C)([cH]1[c]5([c]6([c]7([c]81C)C)C)C)[O]=C(C)O9
Title of publication	Organometallic compounds of the lanthanides, 99. Synthesis and crystal structure of bis(cyclopentadienyl)rare earth acetates (Cp2LnO2CCH3)2 (Cp = C5H5, C5HMe4, C5Me5)
Authors of publication	Schumann, H.; Zietzke, K.; Weimann, R.
Journal of publication	European Journal of Solid State and Inorganic Chemistry
Year of publication	1996
Journal volume	33
Pages of publication	121 - 144
a	9.2427 ± 0.0014 Å
b	19.646 ± 0.003 Å
c	11.225 ± 0.002 Å
α	90°
β	113.54 ± 0.02°
γ	90°
Cell volume	1868.6 ± 0.6 Å³
Ambient diffraction temperature	180 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0845
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4030774.cif
133585	2015-03-06	cif/ Adding structures of 4030774 via cif-deposit CGI script.	4030774.cif