Crystallography Open Database

Information card for entry 4329651

Preview

Coordinates	4329651.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H10 In3 N Se5
Calculated formula	C7 H10 In3 N Se5
Title of publication	[C7H10N][In3Se5]: A Layered Selenide with Two Indium Coordination Environments
Authors of publication	Sarah J. Ewing; Anthony V. Powell; Paz Vaqueiro
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7404 - 7409
a	4.0034 ± 0.0004 Å
b	16.9343 ± 0.0014 Å
c	23.2483 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	1576.1 ± 0.2 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	18
Hermann-Mauguin space group symbol	P 2 21 21
Hall space group symbol	P 2bc 2
Residual factor for all reflections	0.0851
Residual factor for significantly intense reflections	0.0723
Weighted residual factors for all reflections	0.0819
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.0735
Goodness-of-fit parameter for all reflections included in the refinement	1.1139
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4329651.cif
78708	2013-04-02	cif/ Adding structures of 4329651 via cif-deposit CGI script.	4329651.cif