Crystallography Open Database

Information card for entry 4504113

Preview

Coordinates	4504113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H36 F2 Ga4 N4 O26 Se6
Calculated formula	C14 H28 F2 Ga4 N4 O26 Se6
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	8.9941 ± 0.0001 Å
b	9.4963 ± 0.0003 Å
c	11.2959 ± 0.0001 Å
α	77.128 ± 0.01°
β	68.073 ± 0.008°
γ	83.776 ± 0.012°
Cell volume	872.17 ± 0.07 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	0.042
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0724
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	0.99
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.	4504113.cif
120110	2014-07-12	Adding DOIs to range 4/50 structures.	4504113.cif
44926	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4504113 via cif-deposit CGI script.	4504113.cif