Crystallography Open Database

Information card for entry 4030773

Preview

Coordinates	4030773.cif

Structure parameters

Formula	C47 H66 La2 O4
Calculated formula	C47 La2 O4
SMILES	[La]123456789%10([O]%11[La]%12%13%14%15%16%17%18%19([O]=C%11C)([O]2C(=[O]1)C)([cH]1[c]%12([c]%13([c]%14([c]%151C)C)C)C)[cH]1[c]%16([c]%17([c]%18([c]%191C)C)C)C)([cH]1[c]3([c]4([c]5([c]61C)C)C)C)[cH]1[c]7([c]8([c]9([c]%101C)C)C)C.Cc1ccccc1
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	16.318 ± 0.002 Å
b	13.985 ± 0.003 Å
c	11.242 ± 0.003 Å
α	90°
β	121.231 ± 0.014°
γ	90°
Cell volume	2193.7 ± 0.9 Å³
Ambient diffraction temperature	210 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0465
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
178486 (current)	2016-03-21	cif/4/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/03/07.	4030773.cif
133584	2015-03-06	cif/ Adding structures of 4030773 via cif-deposit CGI script.	4030773.cif