Crystallography Open Database

Information card for entry 8106895

Preview

Coordinates	8106895.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H15 Ag N4 O4
Calculated formula	C20 H15 Ag N4 O4
SMILES	[Ag]([n]1cc(c2ccc(cc2)C(=O)O)[nH]c1)[n]1cc(c2ccc(cc2)C(=O)[O-])[nH]c1
Title of publication	Crystal structure of (4-(1H-imidazol-5-yl)benzoic acid-κN) (4-(1H-imidazol-5-yl)benzoato-κN)silver(I), C20H15N4O4Ag
Authors of publication	Sheng, Liang-Quan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	423 - 425
a	12.6344 ± 0.0008 Å
b	9.7274 ± 0.0006 Å
c	15.7567 ± 0.001 Å
α	90°
β	109.063 ± 0.001°
γ	90°
Cell volume	1830.3 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0244
Weighted residual factors for significantly intense reflections	0.0632
Weighted residual factors for all reflections included in the refinement	0.0674
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
281768 (current)	2023-03-09	cif/ Adding structures of 8106895 via cif-deposit CGI script.	8106895.cif