Crystallography Open Database

Information card for entry 7227348

Preview

Coordinates	7227348.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 Ag2 Cl2 N8 O15
Calculated formula	C50 H50 Ag2 Cl2 N8 O15
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	9.2783 ± 0.0003 Å
b	11.1478 ± 0.0004 Å
c	13.0263 ± 0.0006 Å
α	100.674 ± 0.003°
β	101.046 ± 0.004°
γ	91.916 ± 0.003°
Cell volume	1296.18 ± 0.09 Å³
Cell temperature	175 ± 0.1 K
Ambient diffraction temperature	175 ± 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	0.0334
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.07
Weighted residual factors for all reflections included in the refinement	0.0732
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	7227348.cif
189870	2017-01-05	cif/ Adding structures of 7227343, 7227344, 7227345, 7227346, 7227347, 7227348, 7227349, 7227350, 7227351 via cif-deposit CGI script.	7227348.cif