Crystallography Open Database

Information card for entry 7052018

7052017 << 7052018 >> 7052019

Preview

Coordinates	7052018.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H45 Ag2 Cl2 N16 O8.5
Calculated formula	C48 H44 Ag2 Cl2 N16 O8.5
Title of publication	Linking number analysis of a self-assembled lemniscular Möbius-metallamacrocycle
Authors of publication	De, Senjuti; Drew, Michael G. B.; Rzepa, Henry S.; Datta, Dipankar
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	11
Pages of publication	1831
a	12.6647 ± 0.0008 Å
b	14.9762 ± 0.0008 Å
c	15.2718 ± 0.001 Å
α	74.519 ± 0.005°
β	83.036 ± 0.005°
γ	68.151 ± 0.006°
Cell volume	2590.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1124
Residual factor for significantly intense reflections	0.074
Weighted residual factors for significantly intense reflections	0.1432
Weighted residual factors for all reflections included in the refinement	0.1598
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7052018.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052018.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052018.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7052018.cif