Crystallography Open Database

Information card for entry 4030772

Preview

Coordinates	4030772.cif

Structure parameters

Formula	C40 H58 O4 Y2
Calculated formula	C40 O4 Y2
SMILES	[Y]123456789([cH]%10[c]4([c]3([c]2([c]1%10C)C)C)C)([O]=C(C)O[Y]1234%10%11%12%13([cH]%14[c]4([c]3([c]2([c]1%14C)C)C)C)([cH]1[c]%10([c]%11([c]%12([c]%131C)C)C)C)[O]=C(C)O9)[cH]1[c]5([c]6([c]7([c]81C)C)C)C
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	10.618 ± 0.004 Å
b	13.465 ± 0.003 Å
c	14.351 ± 0.003 Å
α	90°
β	106.09 ± 0.02°
γ	90°
Cell volume	1971.4 ± 1 Å³
Ambient diffraction temperature	210 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	0.0387
Weighted residual factors for significantly intense reflections	0.1027
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.	4030772.cif
133583	2015-03-06	cif/ Adding structures of 4030772 via cif-deposit CGI script.	4030772.cif