Crystallography Open Database

Information card for entry 4505550

Preview

Coordinates	4505550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H46 Ag3 N7 O14
Calculated formula	C46 H46 Ag3 N7 O14
Title of publication	Syntheses, Structures, and Properties of Silver‒Organic Frameworks Constructed with 1,1′-Biphenyl-2,2′,6,6′-tetracarboxylic Acid
Authors of publication	Li, Bo; Zang, Shuang-Quan; Ji, Can; Hou, Hong-Wei; Mak, Thomas C. W.
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	3
Pages of publication	1443
a	14.8314 ± 0.0011 Å
b	9.7047 ± 0.0017 Å
c	22.344 ± 0.002 Å
α	90°
β	131.552 ± 0.006°
γ	90°
Cell volume	2406.8 ± 0.6 Å³
Cell temperature	296 K
Ambient diffraction temperature	296 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1332
Weighted residual factors for all reflections included in the refinement	0.1442
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
179590 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/55.	4505550.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4505550.cif
51807	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4505549, 4505550, 4505551, 4505552, 4505553 via cif-deposit CGI script.	4505550.cif