Crystallography Open Database

Information card for entry 4511569

Preview

Coordinates	4511569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H58 N12 O16 S2 Zn2
Calculated formula	C42 H42 N12 O16 S2 Zn2
Title of publication	Parallel and Inclined (1D →2D) Interlacing Modes in New Polyrotaxane Frameworks [M2(bix)3(SO4)2] [M = Zn(II), Cd(II); Bix = 1,4-Bis(imidazol-1-ylmethyl)benzene]
Authors of publication	Carlucci, Lucia; Ciani, Gianfranco; Proserpio, Davide M.
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	1
Pages of publication	37
a	15.796 ± 0.003 Å
b	13.704 ± 0.003 Å
c	24.555 ± 0.004 Å
α	90°
β	92.42 ± 0.005°
γ	90°
Cell volume	5310.6 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1816
Residual factor for significantly intense reflections	0.0884
Weighted residual factors for all reflections	0.3106
Weighted residual factors for significantly intense reflections	0.2376
Goodness-of-fit parameter for all reflections	1.02
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
179662 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/15.	4511569.cif
119750	2014-07-08	cif/ Adding structures of 4511569, 4511570, 4511571 via cif-deposit CGI script.	4511569.cif