Crystallography Open Database

Information card for entry 7012330

Preview

Coordinates	7012330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H72 Ag17 F48 N5 O39
Calculated formula	C76 H64 Ag17 F48 N5 O39
Title of publication	An anionic silver(i) column containing a novel asymmetric double cage with embedded acetylenediide and unprecedented μ~5~-ligation of the nitrate ion
Authors of publication	Wang, Quan-Ming; Mak, Thomas C. W.
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	1
Pages of publication	25 - 27
a	14.454 ± 0.0008 Å
b	20.447 ± 0.0011 Å
c	22.2631 ± 0.0012 Å
α	88.327 ± 0.001°
β	72.582 ± 0.001°
γ	83.788 ± 0.001°
Cell volume	6241.1 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1132
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1677
Weighted residual factors for all reflections included in the refinement	0.199
Goodness-of-fit parameter for all reflections included in the refinement	0.944
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179827 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/23.	7012330.cif
173443	2016-01-04	cif/ (antanas@kurmis) Updating bibliographies for multiple entries.	7012330.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012330.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012330.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012330.cif