Crystallography Open Database

Information card for entry 7711967

7711966 << 7711967 >> 7711968

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Coordinates	7711967.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H14 Cd Cl3 N O
Calculated formula	C5 H14 Cd Cl3 N O
Title of publication	Sn(II)-doped one-dimensional hybrid metal halide [C<sub>5</sub>H<sub>14</sub>NO]CdCl<sub>3</sub> single crystals with broadband greenish-yellow light emission.
Authors of publication	Cheng, Haiming; Cao, Chi; Teng, Shiyong; Zhang, Zhinan; Zhang, Ying; Wang, Dayang; Yang, Wensheng; Xie, Renguo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	4
Pages of publication	1021 - 1029
a	16.8879 ± 0.0004 Å
b	8.1763 ± 0.0002 Å
c	7.7975 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	1076.68 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0189
Residual factor for significantly intense reflections	0.0175
Weighted residual factors for significantly intense reflections	0.0339
Weighted residual factors for all reflections included in the refinement	0.0343
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
283272 (current)	2023-05-05	cif/ Updating files of 7711967 Original log message: Adding full bibliography for 7711967.cif.	7711967.cif
279931	2022-12-18	cif/ Adding structures of 7711967 via cif-deposit CGI script.	7711967.cif