Crystallography Open Database

Information card for entry 1529414

Preview

Coordinates	1529414.cif
Structure factors	1529414.hkl

Structure parameters

Formula	C9 H18 Cl N6 Ni0.5 O4 S3
Calculated formula	C9 H18 Cl N6 Ni0.5 O4 S3
Title of publication	Crystal structure of perchlorate hexakis-(ethylenethiourea) nickel (II)
Authors of publication	N.N.Golovnev; A.D. Vasiliev; M.S. Molokeev; I.I. Golovneva
Journal of publication	Izv.Vyssh.Uchebn.Zaved.,Khim.Khim.Tek.(Russ.)(Bull.Colleg.,Chem.,Chem.Technol.)
Year of publication	2005
Journal volume	48
Journal issue	8
Pages of publication	134 - 136
a	7.8691 ± 0.0005 Å
b	25.946 ± 0.002 Å
c	8.2833 ± 0.0003 Å
α	90°
β	95.394 ± 0.004°
γ	90°
Cell volume	1683.73 ± 0.18 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.0766
Residual factor for significantly intense reflections	0.0699
Weighted residual factors for significantly intense reflections	0.2032
Weighted residual factors for all reflections included in the refinement	0.2084
Goodness-of-fit parameter for all reflections included in the refinement	1.479
Diffraction radiation wavelength	1.54059 Å
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181862 (current)	2016-04-06	hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1.	1529414.cif 1529414.hkl
176429	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	1529414.cif 1529414.hkl
153521	2015-08-19	cif/ hkl/ Adding structures of 1529414 via cif-deposit CGI script.	1529414.cif 1529414.hkl