Crystallography Open Database

Information card for entry 4503292

Preview

Coordinates	4503292.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H39 N4 O21.5 Zr
Calculated formula	C20 H36 N4 O21.5 Zr
Title of publication	Modular Assembling of [Zr(C2O4)4]4−and [DabcoH2]2+Units in Supramolecular Hybrid Architectures Including an Open Framework with Reversible Sorption Properties (Dabco = 1,4-Diazabicyclo[2. 2. 2]octane)
Authors of publication	Thétiot, Franck; Duhayon, Carine; Venkatakrishnan, Thengarai S.; Sutter, Jean-Pascal
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	6
Pages of publication	1870
a	12.066 ± 0.005 Å
b	14.581 ± 0.005 Å
c	16.927 ± 0.005 Å
α	90°
β	93.872 ± 0.005°
γ	90°
Cell volume	2971.2 ± 1.8 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0351
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for all reflections	0.034
Weighted residual factors for significantly intense reflections	0.0316
Weighted residual factors for all reflections included in the refinement	0.0316
Goodness-of-fit parameter for all reflections included in the refinement	1.0498
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4503292.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4503292.cif
41461	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503290, 4503291, 4503292, 4503293 via cif-deposit CGI script.	4503292.cif