Crystallography Open Database

Information card for entry 7214373

Preview

Coordinates	7214373.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 F4 N4 O8
Calculated formula	C24 H44 F4 N4 O8
Title of publication	Hydrated anion glued capsular and non-capsular assembly of a tripodal host: Solid state recognition of bromide‒water [Br5‒(H2O)6]5− and iodide‒water [I2‒(H2O)4]2− clusters in cationic tripodal receptor
Authors of publication	Hoque, Md. Najbul; Das, Gopal
Journal of publication	CrystEngComm
Year of publication	2014
Journal volume	16
Journal issue	21
Pages of publication	4447
a	23.2013 ± 0.0012 Å
b	11.1503 ± 0.0004 Å
c	24.7773 ± 0.001 Å
α	90°
β	114.561 ± 0.006°
γ	90°
Cell volume	5829.9 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1039
Residual factor for significantly intense reflections	0.078
Weighted residual factors for significantly intense reflections	0.2311
Weighted residual factors for all reflections included in the refinement	0.2563
Goodness-of-fit parameter for all reflections included in the refinement	0.98
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
180474 (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 7/21/43.	7214373.cif
116184	2014-06-07	cif/ Updating files of 7214372, 7214373, 7214374, 7214375, 7214376, 7214377 Original log message: Adding full bibliography for 7214372--7214377.cif.	7214373.cif
109492	2014-04-15	cif/ Adding structures of 7214372, 7214373, 7214374, 7214375, 7214376, 7214377 via cif-deposit CGI script.	7214373.cif