Crystallography Open Database

Information card for entry 4130792

Preview

Coordinates	4130792.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ammonium strontium hexacyanoferrate(II)
Formula	C6 H8 Fe N8 Sr
Calculated formula	C6 H8 Fe N8 Sr
SMILES	C(#N)[Fe](C#N)(C#N)(C#N)(C#N)C#N.[Sr+2].[NH4+].[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	7.4087 ± 0.0004 Å
b	7.5926 ± 0.0004 Å
c	10.7605 ± 0.0006 Å
α	90°
β	90.336 ± 0.005°
γ	90°
Cell volume	605.28 ± 0.06 Å³
Cell temperature	300 K
Ambient diffraction temperature	300.01 ± 0.11 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for all reflections	0.1154
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1154
Goodness-of-fit parameter for all reflections included in the refinement	1.0151
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.	4130792.cif