Crystallography Open Database

Information card for entry 7027582

Preview

Coordinates	7027582.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H90 Nb4 O20
Calculated formula	C40 H90 Nb4 O20
SMILES	[Nb]1(OC(C)C)(OC(C)C)(OC(C)C)(OC(C)C)[O]2[Nb]345([O]1CCO3)([O]([Nb]136(OCCO4)([O]5CC[O]1[Nb]([O]6CCO3)(OC(C)C)(OC(C)C)(OC(C)C)OC(C)C)OC(C)C)CC2)OC(C)C
Title of publication	Hydroxyethylmethacrylate as a source of ethyleneglycolate ligands. Synthesis and characterization of Nb4(μ,η1,η2-OC2H4O)2(μ3,η1,η2-OC2H4O)2(μ-OC2H4O)(OPri)10
Authors of publication	Hubert-Pfalzgraf, Liliane G.; Abada, Valérie; Vaissermann, Jacqueline
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	1999
Journal issue	15
Pages of publication	2407
a	17.938 ± 0.005 Å
b	17.96 ± 0.005 Å
c	9.335 ± 0.005 Å
α	78.86 ± 0.03°
β	74.24 ± 0.03°
γ	78.84 ± 0.02°
Cell volume	2808 ± 1.9 Å³
Cell temperature	161 K
Ambient diffraction temperature	161 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0692
Weighted residual factors for significantly intense reflections	0.0801
Goodness-of-fit parameter for significantly intense reflections	1.1257
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.	7027582.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.	7027582.cif
95500	2014-01-28	cif/ Adding structures of 7027582 via cif-deposit CGI script.	7027582.cif