Crystallography Open Database

Information card for entry 4315375

Preview

Coordinates	4315375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H58.33 Ag2 N12 O3.17
Calculated formula	C51 H54 Ag2 N12 O3.16667
Title of publication	Construction of a Ag12 High-Nuclearity Metallamacrocyclic 3D Framework
Authors of publication	Jiyong Hu; Jin'an Zhao; Qianqian Guo; Hongwei Hou; Yaoting Fan
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	3679 - 3681
a	27.5892 ± 0.001 Å
b	27.5892 ± 0.001 Å
c	35.5762 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	23451.4 ± 1.6 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0716
Residual factor for significantly intense reflections	0.0689
Weighted residual factors for significantly intense reflections	0.1643
Weighted residual factors for all reflections included in the refinement	0.166
Goodness-of-fit parameter for all reflections included in the refinement	1.221
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179233 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/53.	4315375.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315375.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315375.cif
8530	2011-02-07	../uploads/cif-deposit/cod/cif Adding structures of 4315375 via cif-deposit CGI script.	4315375.cif