Crystallography Open Database

Information card for entry 4507666

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Structure parameters

Formula	C36 H34 Ag F6 N6 P
Calculated formula	C36 H34 Ag F6 N6 P
SMILES	[Ag]([n]1c(/C=C/C2=CC(=C(C#N)C#N)CC(C2)(C)C)cccc1)[n]1c(/C=C/C2=CC(=C(C#N)C#N)CC(C2)(C)C)cccc1.[P](F)(F)(F)(F)(F)[F-]
Title of publication	Diverse Structural Ag(I) Supramolecular Complexes Constructed from Multidentate Dicyanoisophorone-Based Ligands: Structures and Enhanced Luminescence
Authors of publication	Jin, Feng; Zhang, Ying; Wang, Hui-Zhen; Zhu, Hui-Zhi; Yan, Yan; Zhang, Jun; Wu, Jie-Ying; Tian, Yu-Peng; Zhou, Hong-Ping
Journal of publication	Crystal Growth & Design
Year of publication	2013
Journal volume	13
Journal issue	5
Pages of publication	1978
a	15.619 ± 0.005 Å
b	16.746 ± 0.005 Å
c	14.115 ± 0.005 Å
α	90 ± 0.005°
β	102.196 ± 0.005°
γ	90 ± 0.005°
Cell volume	3609 ± 2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1139
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301842 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/50/ Each referenced PubChem compound corresponds to the full crystal structure.	4507666.cif
179612	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 4/50/76.	4507666.cif
85611	2013-05-07	cif/ Adding structures of 4507666 via cif-deposit CGI script.	4507666.cif