Crystallography Open Database

Information card for entry 7113544

Preview

Coordinates	7113544.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H69 Ag2 Cl F12 N4 O18 P2
Calculated formula	C54 H65 Ag2 Cl F12 N4 O18 P2
Title of publication	Molecular tectonics: infinite cationic double stranded helical coordination networks
Authors of publication	Jouaiti, Abdelaziz; Hosseini, Mir Wais; Kyritsakas, Nathalie
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2003
Journal issue	4
Pages of publication	472 - 473
a	9.7761 ± 0.0002 Å
b	16.3455 ± 0.0003 Å
c	21.3158 ± 0.0004 Å
α	93.081 ± 0.005°
β	95.122 ± 0.005°
γ	91.961 ± 0.005°
Cell volume	3385.05 ± 0.12 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.136
Residual factor for significantly intense reflections	0.085
Weighted residual factors for all reflections	0.379
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections	4.571
Goodness-of-fit parameter for all reflections included in the refinement	1.084
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo-Kα
Duplicate of	7103981
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
210682 (current)	2018-09-09	cif/7/ Updating bibliography in entries 7103980-7103981, 7113543-7113544. Marking entries 7113543-7113544 as duplicates of entries 7103980-7103981.	7113544.cif
180249	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 7/11/35.	7113544.cif
115122	2014-06-02	cif/ Adding structures of 7113543, 7113544 via cif-deposit CGI script.	7113544.cif