Crystallography Open Database

Information card for entry 8102020

8102019 << 8102020 >> 8102021

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Coordinates	8102020.cif

Structure parameters

Chemical name	(acetonitrile-N)copper(I) cyanide, Cu(CH3CN)(CN)
Formula	C3 H3 Cu N2
Calculated formula	C3 H3 Cu N2
Title of publication	Crystal structure of (acetonitrile-N)copper(I) cyanide, [Cu(CH~3~CN)] [CN]
Authors of publication	Keller, H.-L.; Oldag, T.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2006
Journal volume	221
Journal issue	3
Pages of publication	377 - 378
a	8.3985 ± 0.0017 Å
b	8.1443 ± 0.0016 Å
c	7.8362 ± 0.0016 Å
α	90°
β	116.56 ± 0.03°
γ	90°
Cell volume	479.4 ± 0.2 Å³
Cell temperature	120 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.19
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
176466 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102020.cif
107950	2014-03-25	cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page.	8102020.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102020.cif
12759	2011-03-05	../uploads/cif-deposit/cod/cif Adding structures of 8102020 via cif-deposit CGI script.	8102020.cif