Crystallography Open Database

Information card for entry 7227347

Preview

Coordinates	7227347.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	N,N'-bis(isoquinolinecarboxamide)-1,5-pentane
Formula	C25 H24 N4 O2
Calculated formula	C25 H24 N4 O2
Title of publication	Crystal structure analysis of supramolecular arrangements in bis(1-isoquinolinecarboxamide)alkanes and their Ag(i) complexes
Authors of publication	Parra, Nicole; Belmar, Julio B.; Jiménez, Claudio A.; Pasán, Jorge; Ruiz-Pérez, Catalina
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	7
Pages of publication	1076
a	13.4447 ± 0.0004 Å
b	8.7623 ± 0.0002 Å
c	17.9862 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	2118.89 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.0404
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.1078
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
193763 (current)	2017-03-05	cif/ Updating files of 7227343, 7227344, 7227345, 7227346, 7227347, 7227348, 7227349, 7227350, 7227351 Original log message: Adding full bibliography for 7227343--7227351.cif.	7227347.cif
189870	2017-01-05	cif/ Adding structures of 7227343, 7227344, 7227345, 7227346, 7227347, 7227348, 7227349, 7227350, 7227351 via cif-deposit CGI script.	7227347.cif