Crystallography Open Database

Information card for entry 7111356

Preview

Coordinates	7111356.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H44 F12 N16 O13 Pb2 S4
Calculated formula	C49 H42 F12 N16 O13 Pb2 S4
Title of publication	Reversible folding/unfolding of linear molecular strands into helical channel-like complexes upon proton-modulated binding and release of metal ions
Authors of publication	Stadler, Adrian-Mihail; Kyritsakas, Nathalie; Lehn, Jean-Marie
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	18
Pages of publication	2024 - 2025
a	15.25 ± 0.0002 Å
b	17.5684 ± 0.0002 Å
c	24.0749 ± 0.0003 Å
α	90°
β	95.117 ± 0.005°
γ	90°
Cell volume	6424.4 ± 0.15 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
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	0.126
Residual factor for significantly intense reflections	0.071
Weighted residual factors for all reflections	0.254
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections	1.63
Goodness-of-fit parameter for all reflections included in the refinement	1.201
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180227 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/13.	7111356.cif
96452	2014-01-29	cif/ Adding structures of 7111356 via cif-deposit CGI script.	7111356.cif