Crystallography Open Database

Information card for entry 7202220

7202219 << 7202220 >> 7202221

Preview

Coordinates	7202220.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H49 Gd N24 O17
Calculated formula	C24 H41 Gd N24 O17
Title of publication	A new class of 3-D porous framework: [Ln(H2O)n]3+ ions act as pillars between π-stacked and H-bonded sheets of (m-BDTH)− organic anions in [Ln(H2O)n](m-BDTH)3·9(H2O) (Ln = Pr, n = 9; Ln = Gd, n = 8)
Authors of publication	Kostakis, George E.; Abbas, Ghulam; Anson, Christopher E.; Powell, Annie K.
Journal of publication	CrystEngComm
Year of publication	2008
Journal volume	10
Journal issue	9
Pages of publication	1117
a	9.9142 ± 0.0003 Å
b	13.6521 ± 0.0005 Å
c	16.9555 ± 0.0006 Å
α	78.682 ± 0.001°
β	76.376 ± 0.001°
γ	77.859 ± 0.001°
Cell volume	2154.31 ± 0.13 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0329
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.06
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180353 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/22.	7202220.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7202220.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7202220.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7202220.cif