Crystallography Open Database

Information card for entry 4511571

Preview

Coordinates	4511571.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H25 Cd N6 O6 S
Calculated formula	C21 H25 Cd N6 O6 S
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	10.1323 ± 0.0008 Å
b	18.6237 ± 0.0015 Å
c	12.6038 ± 0.001 Å
α	90°
β	100.3 ± 0.002°
γ	90°
Cell volume	2340 ± 0.3 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/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.051
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for all reflections	0.0763
Weighted residual factors for significantly intense reflections	0.067
Goodness-of-fit parameter for all reflections	1.069
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.	4511571.cif
119750	2014-07-08	cif/ Adding structures of 4511569, 4511570, 4511571 via cif-deposit CGI script.	4511571.cif