Crystallography Open Database

Information card for entry 1517784

Preview

Coordinates	1517784.cif

Structure parameters

Formula	C16 H10 B F4 N2 Na S
Calculated formula	C16 H10 B F4 N2 Na S
Title of publication	Four sodium tetrafluoroborate directed supramolecular networks having 3- and 3,8-disubstituted 1,10-phenanthroline ligands
Authors of publication	Hui-Fen Qian; Yuan Liu; Tao Tao; Ke-Hua Gu; Gui Yin; Wei Huang
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	405
Pages of publication	1 - 8
a	7.7705 ± 0.0016 Å
b	11.815 ± 0.002 Å
c	17.437 ± 0.004 Å
α	90°
β	102.58 ± 0.03°
γ	90°
Cell volume	1562.4 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1171
Residual factor for significantly intense reflections	0.098
Weighted residual factors for significantly intense reflections	0.2095
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1517784.cif
123930	2014-09-17	cif/ Adding structures of 1517784 via cif-deposit CGI script.	1517784.cif