Crystallography Open Database

Information card for entry 4504112

Preview

Coordinates	4504112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H14 F Ga N2 O8 Se
Calculated formula	C6 H12 F Ga N2 O8 Se
Title of publication	New Organically Templated Gallium and Indium Selenites or Selenates with One-, Two-, and Three-Dimensional Structures
Authors of publication	Feng, Mei-Ling; Li, Xiu-Ling; Mao, Jiang-Gao
Journal of publication	Crystal Growth & Design
Year of publication	2007
Journal volume	7
Journal issue	4
Pages of publication	770
a	6.377 Å
b	9.282 ± 0.0002 Å
c	11.4112 ± 0.0001 Å
α	66.531 ± 0.011°
β	77.448 ± 0.013°
γ	71.889 ± 0.012°
Cell volume	585.47 ± 0.06 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1042
Weighted residual factors for all reflections included in the refinement	0.1118
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179576 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/41.	4504112.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504112.cif
44925	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504112 via cif-deposit CGI script.	4504112.cif