Crystallography Open Database

Information card for entry 7707723

Preview

Coordinates	7707723.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H16 Cd N10
Calculated formula	C16 H16 Cd N10
Title of publication	Benzyltrimethylammonium cadmium dicyanamide with polar order in multiple phases and prospects for linear and nonlinear optical temperature sensing.
Authors of publication	Mączka, Mirosław; Gągor, Anna; Zaręba, Jan K; Trzebiatowska, Monika; Stefańska, Dagmara; Kucharska, Edyta; Hanuza, Jerzy; Pałka, Norbert; Czerwińska, Elżbieta; Sieradzki, Adam
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	30
Pages of publication	10580 - 10592
a	8.113 ± 0.0006 Å
b	14.0621 ± 0.0006 Å
c	8.9405 ± 0.0003 Å
α	90°
β	110.376 ± 0.004°
γ	90°
Cell volume	956.16 ± 0.09 Å³
Cell temperature	119.7 ± 0.4 K
Ambient diffraction temperature	119.7 ± 0.4 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0591
Residual factor for significantly intense reflections	0.0531
Weighted residual factors for significantly intense reflections	0.148
Weighted residual factors for all reflections included in the refinement	0.1534
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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
268775 (current)	2021-09-06	cif/ Updating files of 7707723, 7707724 Original log message: Adding full bibliography for 7707723--7707724.cif.	7707723.cif
266709	2021-06-26	cif/ Adding structures of 7707723, 7707724 via cif-deposit CGI script.	7707723.cif