Crystallography Open Database

Information card for entry 7047199

Preview

Coordinates	7047199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H28 B2 F8 Fe N4 Se2
Calculated formula	C32 H28 B2 F8 Fe 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	17.4674 ± 0.0017 Å
b	10.636 ± 0.0011 Å
c	17.9626 ± 0.0019 Å
α	90°
β	106.425 ± 0.003°
γ	90°
Cell volume	3201 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0636
Residual factor for significantly intense reflections	0.0496
Weighted residual factors for significantly intense reflections	0.1144
Weighted residual factors for all reflections included in the refinement	0.1286
Goodness-of-fit parameter for all reflections included in the refinement	1.074
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.	7047199.cif
209351	2018-08-02	cif/ Adding structures of 7047199, 7047200, 7047201 via cif-deposit CGI script.	7047199.cif