Crystallography Open Database

Information card for entry 7240914

Preview

Coordinates	7240914.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H18 Ag I2 N5 O5
Calculated formula	C24 H18 Ag I2 N5 O5
SMILES	[Ag]([n]1ccc(NC(=O)c2ccc(I)cc2)cc1)[n]1ccc(NC(=O)c2ccc(I)cc2)cc1.O=N(=O)[O-]
Title of publication	The combination of halogen and hydrogen bonding: a versatile tool in coordination chemistry
Authors of publication	Uriel Rubio, Santiago; González, Lucía; Graus, Sara; Tejedor, Rosa María; Chantapally, Anjana; Serrano, Jose Luis
Journal of publication	CrystEngComm
Year of publication	2020
a	9.3872 ± 0.0005 Å
b	11.4744 ± 0.0004 Å
c	13.2529 ± 0.0006 Å
α	107.591 ± 0.004°
β	110.075 ± 0.005°
γ	94.437 ± 0.004°
Cell volume	1251.66 ± 0.12 Å³
Cell temperature	291.88 ± 0.1 K
Ambient diffraction temperature	291.88 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0336
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0638
Weighted residual factors for all reflections included in the refinement	0.0677
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7240914.html