Crystallography Open Database

Information card for entry 7242047

7242046 << 7242047 >> 7242048

Preview

Coordinates	7242047.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H92 Ag2 F12 N4 O10 P2 Si4
Calculated formula	C54 H92 Ag2 F12 N4 O10 P2 Si4
Title of publication	Supramolecular isomerism between cyclodimeric and sinusoidal 1D coordination polymers: competition of tunable argentophilic vs. electrostatic interactions
Authors of publication	Moon, Heehun; Lim, Sang Woo; Kim, Dongwon; Jung, Ok-Sang; Lee, Young-A
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	5
Pages of publication	1272 - 1280
a	10.536 ± 0.002 Å
b	10.805 ± 0.002 Å
c	17.843 ± 0.004 Å
α	84.11 ± 0.03°
β	73.3 ± 0.03°
γ	73.1 ± 0.03°
Cell volume	1861.2 ± 0.8 Å³
Cell temperature	253 ± 2 K
Ambient diffraction temperature	253 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.068
Residual factor for significantly intense reflections	0.0517
Weighted residual factors for significantly intense reflections	0.1697
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.63 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
262562 (current)	2021-03-05	cif/ Updating files of 7242046, 7242047, 7242048, 7242049, 7242050, 7242051, 7242052 Original log message: Adding full bibliography for 7242046--7242052.cif.	7242047.cif
260868	2021-01-09	cif/ Adding structures of 7242046, 7242047, 7242048, 7242049, 7242050, 7242051, 7242052 via cif-deposit CGI script.	7242047.cif