Crystallography Open Database

Information card for entry 4001449

Preview

Coordinates	4001449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C221 H192 Ag5 Cl0 F15 N24 O15 S5
Calculated formula	C220.98 H192 Ag5 F14.94 N24 O14.94 S5.01
Title of publication	Discrete Chiral Single-Crystal Microtubes Assembled with Honeycomb Coordination Networks Showing Structural Diversity and Borromean Topology in One Single Crystal
Authors of publication	Zhang, Xue-Li; Guo, Cui-Ping; Yang, Qing-Yuan; Lu, Tong-Bu; Tong, Ye-Xiang; Su, Cheng-Yong
Journal of publication	Chemistry of Materials
Year of publication	2007
Journal volume	19
Journal issue	19
Pages of publication	4630
a	17.9074 ± 0.0004 Å
b	17.9074 ± 0.0004 Å
c	38.5402 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	10703.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.1115
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1649
Weighted residual factors for all reflections included in the refinement	0.1791
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	1.54187 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001449.cif
120073	2014-07-11	Adding DOIs to range 4/00 structures.	4001449.cif
45268	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4001448, 4001449 via cif-deposit CGI script.	4001449.cif