Crystallography Open Database

Information card for entry 2241483

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Structure parameters

Chemical name	Dibromidotetrakis(propan-2-ol-κ<i>O</i>)nickel(II)
Formula	C12 H32 Br2 Ni O4
Calculated formula	C12 H32 Br2 Ni O4
SMILES	Br[Ni]([OH]C(C)C)([OH]C(C)C)([OH]C(C)C)([OH]C(C)C)Br
Title of publication	Crystal structure of dibromidotetrakis(propan-2-ol-κ<i>O</i>)nickel(II)
Authors of publication	Lv, Yaokang; Liu, Mingxian; Ji, Lvlv; Zhang, Cheng; Ouyang, Mi
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	m263 - m264
a	5.8341 ± 0.0007 Å
b	10.4902 ± 0.0015 Å
c	16.613 ± 0.002 Å
α	90°
β	97.074 ± 0.004°
γ	90°
Cell volume	1009 ± 0.2 Å³
Cell temperature	199 ± 2 K
Ambient diffraction temperature	199 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0418
Residual factor for significantly intense reflections	0.0288
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.005
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181915 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/14.	2241483.cif 2241483.hkl
174733	2016-01-22	cif/ hkl/ Adding structures of 2241483 via cif-deposit CGI script.	2241483.cif 2241483.hkl