Crystallography Open Database

Information card for entry 4501889

Preview

Coordinates	4501889.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H37 Cu1.5 N12 O14 S
Calculated formula	C22 H37 Cu1.5 N12 O14 S
Title of publication	A New Type of Entanglement Involving Ribbons of Rings and Two Different Kinds of 2D (4,4) Networks (2D + 2D + 1D) Polycatenated in a 3D Supramolecular Architecture
Authors of publication	Tian, Li; Zhang, Zhen-Jie; Yu, Ao; Shi, Wei; Chen, Zhi; Cheng, Peng
Journal of publication	Crystal Growth & Design
Year of publication	2010
Journal volume	10
Journal issue	9
Pages of publication	3847
a	13.0162 ± 0.0007 Å
b	15.7415 ± 0.0007 Å
c	16.3661 ± 0.0007 Å
α	90°
β	92.855 ± 0.005°
γ	90°
Cell volume	3349.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0604
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for significantly intense reflections	0.085
Weighted residual factors for all reflections included in the refinement	0.0906
Goodness-of-fit parameter for all reflections included in the refinement	0.938
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.	4501889.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4501889.cif
36150	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 4501887, 4501888, 4501889 via cif-deposit CGI script.	4501889.cif