Crystallography Open Database

Information card for entry 4342363

Preview

Coordinates	4342363.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C3 H7 Cd N O6
Calculated formula	C3 H7 Cd N O6
Title of publication	Room-Temperature Polar Order in [NH4][Cd(HCOO)3] - A Hybrid Inorganic-Organic Compound with a Unique Perovskite Architecture.
Authors of publication	Gómez-Aguirre, L C; Pato-Doldán, B; Stroppa, A.; Yáñez-Vilar, S; Bayarjargal, L.; Winkler, B.; Castro-García, S; Mira, J.; Sánchez-Andújar, M; Señarís-Rodríguez, M A
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	5
Pages of publication	2109
a	6.9949 ± 0.0001 Å
b	9.5029 ± 0.0002 Å
c	10.8457 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	720.93 ± 0.02 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0172
Residual factor for significantly intense reflections	0.0162
Weighted residual factors for significantly intense reflections	0.0368
Weighted residual factors for all reflections included in the refinement	0.0374
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
179526 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/23.	4342363.cif
132854	2015-03-04	cif/ Updating files of 4342361, 4342362, 4342363 Original log message: Adding full bibliography for 4342361--4342363.cif.	4342363.cif
131598	2015-02-10	cif/ Adding structures of 4342361, 4342362, 4342363 via cif-deposit CGI script.	4342363.cif