Crystallography Open Database

Information card for entry 7117975

Preview

Coordinates	7117975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H10 Cd N10
Calculated formula	C3 H10 Cd N10
Title of publication	Insight into the molecular dynamics of guest cations confined in deformable azido coordination frameworks
Authors of publication	Zi-Yi Du; Yu-Zhi Sun; Shao-Li Chen; Bo Huang; Yu-Jun Su; Ting-Ting Xu; Wei-Xiong Zhang; Xiao-Ming Chen
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	15641
a	8.6061 ± 0.0005 Å
b	9.3656 ± 0.0005 Å
c	13.016 ± 0.0008 Å
α	90°
β	105.803 ± 0.002°
γ	90°
Cell volume	1009.45 ± 0.1 Å³
Cell temperature	283 ± 2 K
Ambient diffraction temperature	283 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0324
Weighted residual factors for significantly intense reflections	0.0797
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	1.006
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7117975.cif
169410	2015-10-21	cif/ Adding structures of 7117975, 7117976 via cif-deposit CGI script.	7117975.cif