Crystallography Open Database

Information card for entry 4500257

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Coordinates	4500257.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H36 Cu8 I6 N8
Calculated formula	C20.06 Cu8 I6 N8
Title of publication	CuI Cluster-Based Organic Frameworks with Unusual 4- and 5-Connected Topologies
Authors of publication	Zhang, Ying; He, Xinwei; Zhang, Jian; Feng, Pingyun
Journal of publication	Crystal Growth & Design
Year of publication	2011
Journal volume	11
Journal issue	1
Pages of publication	29
a	15.2229 ± 0.0001 Å
b	15.2229 ± 0.0001 Å
c	6.8862 ± 0.0001 Å
α	90°
β	90°
γ	120°
Cell volume	1381.99 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.066
Residual factor for significantly intense reflections	0.0467
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1441
Goodness-of-fit parameter for all reflections included in the refinement	1.116
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
179533 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/02.	4500257.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4500257.cif
34424	2012-02-25	../uploads/cif-deposit/cod/cif Adding structures of 4500256, 4500257 via cif-deposit CGI script.	4500257.cif