Crystallography Open Database

Information card for entry 4324117

Preview

Coordinates	4324117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H16 Au2 N8 Zn
Calculated formula	C8 H16 Au2 N8 Zn
Title of publication	Changes in Electronic Properties of Polymeric One-Dimensional {[M(CN)2]-}n (M = Au, Ag) Chains Due to Neighboring Closed-Shell Zn(II) or Open-Shell Cu(II) Ions
Authors of publication	François Baril-Robert; Xiaobo Li; Michael J. Katz; Andrew R. Geisheimer; Daniel B. Leznoff; Howard Patterson
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	231 - 237
a	10.4752 ± 0.0014 Å
b	13.2072 ± 0.0018 Å
c	6.3903 ± 0.0009 Å
α	90°
β	119.646 ± 0.001°
γ	90°
Cell volume	768.36 ± 0.18 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.019
Residual factor for significantly intense reflections	0.0149
Weighted residual factors for all reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0186
Weighted residual factors for all reflections included in the refinement	0.0184
Goodness-of-fit parameter for all reflections included in the refinement	1.1232
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4324117.cif
132410	2015-02-25	cod/ (robertas@burundukas) Replaced zero-length value of the tag '_chemical_name_systematic' with '?'. codsql 'select file, chemname from data \ where length(chemname) = 0' -NB \ \| perl -ne 'print $1."\n" if /\b(\d{7})\s$/' \ \| codid2file \ \| xargs perl -0777 -i -pe 's/\b_chemical_name_systematic \K \s? ( \n ; \s? \n ; \| '\'' \s '\'' \s*? ) (?=\n) /" " x8 . "?"/ixmse'	4324117.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324117.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4324117.cif
24408	2011-08-23	../uploads/cif-deposit/cod/cif Adding structures of 4324117 via cif-deposit CGI script.	4324117.cif