Crystallography Open Database

Information card for entry 1507135

Preview

Coordinates	1507135.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	B1.89 Cl2.11 H16 K2 Zn
Calculated formula	B1.876 Cl2.124 H16 K2 Zn
Title of publication	Potassium Zinc Borohydrides Containing Triangular [Zn(BH4)3]−and Tetrahedral [Zn(BH4)xCl4‒x]2‒Anions
Authors of publication	Černý, Radovan; Ravnsbæk, Dorthe B.; Schouwink, Pascal; Filinchuk, Yaroslav; Penin, Nicolas; Teyssier, Jeremie; Smrčok, L'ubomír; Jensen, Torben R.
Journal of publication	The Journal of Physical Chemistry C
Year of publication	2012
Journal volume	116
Journal issue	1
Pages of publication	1563
a	12.3628 ± 0.0038 Å
b	9.1099 ± 0.0025 Å
c	7.3394 ± 0.0024 Å
α	90°
β	95.737 ± 0.024°
γ	90°
Cell volume	822.5 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 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 R(I) for significantly intense reflections	1.76
Method of determination	powder diffraction
Diffraction radiation wavelength	0.72846 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1507135.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1507135.cif
51868	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 1507135 via cif-deposit CGI script.	1507135.cif