Crystallography Open Database

Information card for entry 7218851

Preview

Coordinates	7218851.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H71 F19 N8 O10
Calculated formula	C75.63 H64 F17.37 N8 O9
Title of publication	Anion directed conformational diversities of an arene based hexa-amide receptor and recognition of the [F4(H2O)6]4−cluster
Authors of publication	Chakraborty, Sourav; Dutta, Ranjan; Wong, Bryan M.; Ghosh, Pradyut
Journal of publication	RSC Adv.
Year of publication	2014
Journal volume	4
Journal issue	107
Pages of publication	62689
a	18.729 ± 0.003 Å
b	31.942 ± 0.003 Å
c	26.316 ± 0.003 Å
α	90°
β	101.03 ± 0.005°
γ	90°
Cell volume	15453 ± 3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.1225
Residual factor for significantly intense reflections	0.0923
Weighted residual factors for significantly intense reflections	0.2731
Weighted residual factors for all reflections included in the refinement	0.3043
Goodness-of-fit parameter for all reflections included in the refinement	1.207
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180519 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/88.	7218851.cif
127567	2014-11-20	cif/ Adding structures of 7218850, 7218851, 7218852, 7218853 via cif-deposit CGI script.	7218851.cif