Crystallography Open Database

Information card for entry 7047201

Preview

Coordinates	7047201.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H38 B2 F8 N4 Se2
Calculated formula	C32 H38 B2 F8 N4 Se2
Title of publication	Selective cation and anion guest binding in host selenazamacrocycles.
Authors of publication	Patel, Upali; Abbas, Mohammed A.; McMillen, Colin D.; Brumaghim, Julia L.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	35
Pages of publication	12066 - 12070
a	14.941 ± 0.002 Å
b	7.8551 ± 0.0011 Å
c	15.117 ± 0.0018 Å
α	90°
β	107.334 ± 0.004°
γ	90°
Cell volume	1693.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0266
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0595
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229935 (current)	2019-11-17	cif/ Updating files of 7047199, 7047200, 7047201 Original log message: Adding full bibliography for 7047199--7047201.cif.	7047201.cif
209351	2018-08-02	cif/ Adding structures of 7047199, 7047200, 7047201 via cif-deposit CGI script.	7047201.cif