Crystallography Open Database

Information card for entry 7704933

Preview

Coordinates	7704933.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	6-azaspiro[5.5]undecane cadmium dicyanamide
Formula	C16 H20 Cd N10
Calculated formula	C16 H20 Cd N10
Title of publication	A new polar perovskite coordination network with azaspiroundecane as A-site cation.
Authors of publication	Burger, Stefan; Kronawitter, Silva; Boström, Hanna L B; Zaręba, Jan K; Kieslich, Gregor
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	31
Pages of publication	10740 - 10744
a	17.1022 ± 0.0009 Å
b	10.7274 ± 0.0005 Å
c	10.7037 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1963.72 ± 0.17 Å³
Cell temperature	100 K
Ambient diffraction temperature	100.03 K
Number of distinct elements	4
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	0.0175
Residual factor for significantly intense reflections	0.0153
Weighted residual factors for significantly intense reflections	0.0355
Weighted residual factors for all reflections included in the refinement	0.0377
Goodness-of-fit parameter for all reflections included in the refinement	1.125
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
256092 (current)	2020-09-06	cif/ Updating files of 7704933 Original log message: Adding full bibliography for 7704933.cif.	7704933.cif
254531	2020-07-24	cif/ Adding structures of 7704933 via cif-deposit CGI script.	7704933.cif