Crystallography Open Database

Information card for entry 4503786

Preview

Coordinates	4503786.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C53 H59 Cu3 I3 N9
Calculated formula	C53 H57 Cu3 I3 N9
Title of publication	Solvent Effects on the Assembly of [Cu2I2]- or [Cu4I4]-Based Coordination Polymers: Isolation, Structures, and Luminescent Properties
Authors of publication	Chen, Yang; Li, Hong-Xi; Liu, Dong; Liu, Lei-Lei; Li, Ni-Ya; Ye, Huan-Ying; Zhang, Yong; Lang, Jian-Ping
Journal of publication	Crystal Growth & Design
Year of publication	2008
Journal volume	8
Journal issue	10
Pages of publication	3810
a	11.41 ± 0.002 Å
b	13.446 ± 0.003 Å
c	19.377 ± 0.004 Å
α	100.08 ± 0.03°
β	96.88 ± 0.03°
γ	107.19 ± 0.03°
Cell volume	2749.3 ± 1.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0915
Residual factor for significantly intense reflections	0.0584
Weighted residual factors for significantly intense reflections	0.1115
Weighted residual factors for all reflections included in the refinement	0.1267
Goodness-of-fit parameter for all reflections included in the refinement	1.095
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179572 (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 4/50/37.	4503786.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4503786.cif
41766	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4503785, 4503786, 4503787, 4503788 via cif-deposit CGI script.	4503786.cif