Crystallography Open Database

Information card for entry 4130791

Preview

Coordinates	4130791.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ammonium strontium hexacyanoferrate(II) dihydrate
Formula	C6 H12 Fe N8 O2 Sr
Calculated formula	C6 H12 Fe N8 O2 Sr
SMILES	C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.O.[Sr+2].[NH4+].O.[NH4+]
Title of publication	Guest-Activated Forbidden Tilts in a Molecular Perovskite Analogue.
Authors of publication	Duyker, Samuel G.; Hill, Joshua A.; Howard, Christopher J.; Goodwin, Andrew L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2016
Journal volume	138
Journal issue	35
Pages of publication	11121 - 11123
a	12.2629 ± 0.0006 Å
b	7.4837 ± 0.0003 Å
c	15.1106 ± 0.0007 Å
α	90°
β	106.601 ± 0.005°
γ	90°
Cell volume	1328.93 ± 0.11 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0228
Residual factor for significantly intense reflections	0.0207
Weighted residual factors for all reflections	0.0592
Weighted residual factors for significantly intense reflections	0.0576
Weighted residual factors for all reflections included in the refinement	0.0592
Goodness-of-fit parameter for all reflections included in the refinement	1.0021
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
241160 (current)	2019-11-25	cif/ Adding structures of 4130791, 4130792 via cif-deposit CGI script.	4130791.cif