Crystallography Open Database

Information card for entry 4319926

4319925 << 4319926 >> 4319927

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Coordinates	4319926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H15 Ag N6 O6
Calculated formula	C13 H15 Ag N6 O6
Title of publication	Toward Designed Assembly of Microporous Coordination Networks Constructed from Silver(I)-Hexamethylenetetramine Layers
Authors of publication	Shao-Liang Zheng; Ming-Liang Tong; Ruo-Wen Fu; Xiao-Ming Chen; Seik-Weng Ng
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	3562 - 3569
a	23.026 ± 0.007 Å
b	6.527 ± 0.001 Å
c	10.466 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	1572.9 ± 0.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0659
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0848
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
179279 (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 4/31/99.	4319926.cif
134621	2015-04-02	The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script.	4319926.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319926.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319926.cif
16731	2011-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4319926 via cif-deposit CGI script.	4319926.cif