Crystallography Open Database

Information card for entry 7104067

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Coordinates	7104067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl Cu H3 N
Calculated formula	Cl Cu H3 N
Title of publication	One- and three-dimensional infinite arrays of Cu(I) centres exhibited by [Cu(NH3)2]Br and [Cu(NH3)Cl] in the solid state.
Authors of publication	Wagner Matthias; Jan W. Bats; Michael Bolte; Hans-Wolfram Lerner; Gunter Margraf
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2003
a	8.4135 ± 0.0008 Å
b	8.4135 ± 0.0008 Å
c	8.4135 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	595.57 ± 0.1 Å³
Cell temperature	146 ± 2 K
Ambient diffraction temperature	146 ± 2 K
Number of distinct elements	4
Space group number	199
Hermann-Mauguin space group symbol	I 21 3
Hall space group symbol	I 2b 2c 3
Residual factor for all reflections	0.0217
Residual factor for significantly intense reflections	0.0194
Weighted residual factors for significantly intense reflections	0.0411
Weighted residual factors for all reflections included in the refinement	0.042
Goodness-of-fit parameter for all reflections included in the refinement	0.983
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7104067.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7104067.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7104067.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	7104067.cif
823	2009-09-25	cif/ Depositing information from the Chem-Comm-2003_01-17 and J-Org-Chem-2007_13-20 publications.	7104067.cif