Crystallography Open Database

Information card for entry 4316574

Preview

Coordinates	4316574.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H34.5 N1.5 O13.5 Zn2
Calculated formula	C30 H21 O8 Zn2
Title of publication	Supramolecular Isomerism in Honeycomb Metal-Organic Frameworks Driven by CH...π Interactions: Homochiral Crystallization from an Achiral Ligand through Chiral Inducement
Authors of publication	Xiaoliang Zhao; Haiyan He; Fangna Dai; Daofeng Sun; Yanxiong Ke
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	8650 - 8652
a	16.5812 ± 0.0011 Å
b	16.5812 ± 0.0011 Å
c	28.105 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	6691.8 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	178
Hermann-Mauguin space group symbol	P 61 2 2
Hall space group symbol	P 61 2 (0 0 5)
Residual factor for all reflections	0.0927
Residual factor for significantly intense reflections	0.0787
Weighted residual factors for significantly intense reflections	0.2129
Weighted residual factors for all reflections included in the refinement	0.2223
Goodness-of-fit parameter for all reflections included in the refinement	1.126
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.	4316574.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316574.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316574.cif
9915	2011-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4316574 via cif-deposit CGI script.	4316574.cif