Crystallography Open Database

Information card for entry 7207839

7207838 << 7207839 >> 7207840

Preview

Coordinates	7207839.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Ag I3 N2
Calculated formula	C18 H18 Ag I3 N2
SMILES	I[Ag]([I-])[I-].[n+]1(ccccc1)Cc1ccc(cc1)C[n+]1ccccc1
Title of publication	Role of cooperative templates in the self-assembly process of microporous structures: syntheses and characterization of 12 new silver halide/thiocyanate supramolecular polymers
Authors of publication	Qiao, Yong-Zhen; Fu, Wen-Zhen; Yue, Jun-Ming; Liu, Xiu-Cun; Niu, Yun-Yin; Hou, Hong-Wei
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	9
Pages of publication	3241
a	12.653 ± 0.003 Å
b	13.229 ± 0.003 Å
c	26.039 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	4358.6 ± 1.7 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0521
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0596
Goodness-of-fit parameter for all reflections included in the refinement	1.106
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
180409 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/78.	7207839.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7207839.cif
55938	2012-05-08	cif/ Adding structures of 7207838, 7207839, 7207840, 7207841, 7207842, 7207843, 7207844, 7207845, 7207846, 7207847, 7207848, 7207849 via cif-deposit CGI script.	7207839.cif