Crystallography Open Database

Information card for entry 7242605

Preview

Coordinates	7242605.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	carboxylated pillar[5]arene exclusion complex with phenanthroline
Formula	C82.5 H86 N4 O36.3
Calculated formula	C82.472 H76.416 N4 O36.308
Title of publication	Incorporation of carboxylated pillar[5]arene and strontium(ii) into supramolecular coordination complexes of different nuclearities
Authors of publication	Butkiewicz, Helena; Sashuk, Volodymyr; Danylyuk, Oksana
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	18
Pages of publication	3265 - 3269
a	13.9854 ± 0.0006 Å
b	14.3768 ± 0.0005 Å
c	23.0984 ± 0.0009 Å
α	73.904 ± 0.003°
β	72.539 ± 0.004°
γ	64.366 ± 0.004°
Cell volume	3935.1 ± 0.3 Å³
Cell temperature	100 ± 0.1 K
Ambient diffraction temperature	100 ± 0.1 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0995
Residual factor for significantly intense reflections	0.0906
Weighted residual factors for significantly intense reflections	0.2682
Weighted residual factors for all reflections included in the refinement	0.278
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
265988 (current)	2021-06-05	cif/ Updating files of 7242603, 7242604, 7242605 Original log message: Adding full bibliography for 7242603--7242605.cif.	7242605.cif
263883	2021-04-06	cif/ Adding structures of 7242603, 7242604, 7242605 via cif-deposit CGI script.	7242605.cif