Crystallography Open Database

Information card for entry 7709443

Preview

Coordinates	7709443.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C240 H576 In48 N48 Se96
Calculated formula	In48 Se96
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	29.4109 ± 0.0011 Å
b	13.3976 ± 0.0005 Å
c	26.8483 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	10579.2 ± 0.7 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	72
Hermann-Mauguin space group symbol	I b a m
Hall space group symbol	-I 2 2c
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.1087
Weighted residual factors for all reflections included in the refinement	0.1254
Goodness-of-fit parameter for all reflections included in the refinement	1.183
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7709443.cif
272861	2022-02-09	cif/ Adding structures of 7709442, 7709443, 7709444, 7709445 via cif-deposit CGI script.	7709443.cif