Crystallography Open Database

Information card for entry 4305000

Preview

Coordinates	4305000.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Silver nitrate-iron(III) pyridylacetylacetonate bromobenzene solvate (3:2:6)
Chemical name	Tris[nitratosilver]bis[tris-[3-(4-pyridinyl)- 2,4-pentanedionato]iron], compound with bromobenzene (1:6)
Formula	C96 H90 Ag3 Br6 Fe2 N9 O21
Calculated formula	C92.796 H87.33 Ag3 Br6 Fe2 N9 O21
Title of publication	A Nanoporous Ag-Fe Mixed-Metal-Organic Framework Exhibiting Single-Crystal-to-Single-Crystal Transformations upon Guest Exchange
Authors of publication	Yixun Zhang; Banglin Chen; Frank R. Fronczek; Andrew W. Maverick
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	4433 - 4435
a	7.788 ± 0.004 Å
b	15.728 ± 0.009 Å
c	22.439 ± 0.015 Å
α	94.37 ± 0.03°
β	95.32 ± 0.03°
γ	100.51 ± 0.02°
Cell volume	2679 ± 3 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.197
Residual factor for significantly intense reflections	0.139
Weighted residual factors for significantly intense reflections	0.361
Weighted residual factors for all reflections included in the refinement	0.382
Goodness-of-fit parameter for all reflections included in the refinement	1.841
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
179088 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/50.	4305000.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4305000.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4305000.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	4305000.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4305000.cif