Crystallography Open Database

Information card for entry 4501286

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Coordinates	4501286.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H27 N8 O17.5 Zr
Calculated formula	C32 H26 N8 O17.5 Zr
Title of publication	Self-Assembly of Zr(C2O4)44‒Metallotectons and Bisimidazolium Cations: Influence of the Dication on H-Bonded Framework Dimensionality and Material Potential Porosity
Authors of publication	Mouchaham, Georges; Roques, Nans; Brandès, Stéphane; Duhayon, Carine; Sutter, Jean-Pascal
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	12
Pages of publication	5424
a	11.0271 ± 0.0003 Å
b	16.9334 ± 0.0005 Å
c	9.6188 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	1796.08 ± 0.09 Å³
Cell temperature	180 K
Ambient diffraction temperature	180 K
Number of distinct elements	5
Space group number	30
Hermann-Mauguin space group symbol	P n c 2
Hall space group symbol	P 2 -2bc
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for all reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0339
Weighted residual factors for all reflections included in the refinement	0.033
Goodness-of-fit parameter for all reflections included in the refinement	1.1286
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4501286.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501286.cif
34836	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4501286 via cif-deposit CGI script.	4501286.cif