Crystallography Open Database

Information card for entry 7027815

Preview

Coordinates	7027815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H188 Na O64 Y9
Calculated formula	C96 Na O62 Y9
SMILES	[O]123[Y]45678([OH]9[Y]%10%11%12%13%14([OH]%15[Y]%16%17%18%19%20([O]%21%22[Y]%23%24%25%15(OC(=CC(=[O]%23)OCC)C)([O]=C(C=C(O%17%24)C)OCC)[O]%15C(=CC(=[O][Y]%17%23%21%15([OH]%13%25)([OH]%14[Y]%13%14%22([OH]%12%18)(OC(=CC(=[O]%13)OCC)C)([O]=C(C=C([O]%23%14)C)OCC)[O]%19C(=CC(=[O]%20)OCC)C)OC(=CC(=[O]%17)OCC)C)OCC)C)OC(=CC(=[O]%16)OCC)C)[OH]%12[Y]%13%14%151([OH]%10[Y]1%1029([O]5C(C)=CC(=[O]1)OCC)([O]%14C(=CC(=[O]%15)OCC)C)[O]=C(C=C(O%10)C)OCC)([O]=C(C=C(O%13)C)OCC)[O]1[Y]23%12([O]6C(=CC(=[O]7)OCC)C)([OH]8%11)([O]=C(C=C1C)OCC)[O]=C(C=C(O2)C)OCC)[O]=C(C=C(O4)C)OCC.[Na]([OH2])([OH2])([OH2])[OH2]
Title of publication	A novel example of self-assembly in lanthanide chemistry: synthesis and molecular structure of [Na(EtOH)6][Y9(μ4-O)2(μ3-OH)8{μ-η2-MeC(O)CHC(O)OEt}8{η2-MeC(O)CHC(O)OEt}8] †
Authors of publication	Hubert-Pfalzgraf, Liliane G.; Miele-Pajot, Nathalie; Papiernik, Renée; Vaissermann, Jacqueline
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	23
Pages of publication	4127
a	24.484 ± 0.004 Å
b	26.086 ± 0.004 Å
c	23.553 ± 0.003 Å
α	90°
β	101.44 ± 0.01°
γ	90°
Cell volume	14744 ± 4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0837
Weighted residual factors for significantly intense reflections	0.0919
Goodness-of-fit parameter for significantly intense reflections	1.0801
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
211332 (current)	2018-10-05	cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter.	7027815.cif
176453	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7027815.cif
95825	2014-01-28	cif/ Adding structures of 7027815 via cif-deposit CGI script.	7027815.cif