Crystallography Open Database

Information card for entry 7709442

Preview

Coordinates	7709442.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5.45 H13.09 In1.82 N1.09 Se3.27
Calculated formula	In1.81818 Se3.27273
Title of publication	New crystalline 1D/2D/3D indium selenides directed by piperidine and auxiliary solvents.
Authors of publication	Xue, Chaozhuang; Lin, Jian; Zhang, Yifan; Liu, Zhiyang; Li, Rui; Gong, Shuwen; Qu, Konggang
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2022
Journal volume	51
Journal issue	8
Pages of publication	3248 - 3253
a	19.6419 ± 0.0018 Å
b	19.642 ± 0.01 Å
c	33.131 ± 0.017 Å
α	90°
β	90°
γ	90°
Cell volume	12782 ± 9 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1421
Residual factor for significantly intense reflections	0.0697
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.2265
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
273364 (current)	2022-03-05	cif/ Updating files of 7709442, 7709443, 7709444, 7709445 Original log message: Adding full bibliography for 7709442--7709445.cif.	7709442.cif
272861	2022-02-09	cif/ Adding structures of 7709442, 7709443, 7709444, 7709445 via cif-deposit CGI script.	7709442.cif