Crystallography Open Database

Information card for entry 4320379

4320378 << 4320379 >> 4320380

Preview

Coordinates	4320379.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	m-H2O-{ZnII(OEB-10,19-(CN)2)}2o0.5acetoneo0.6H2O
Formula	C75.8 H89.65 N12.3 O4.1 Zn2
Calculated formula	C75.838 H85.66 N12.338 O4.1 Zn2
Title of publication	Ring-Opening and Meso Substitution from the Reaction of Cyanide Ion with Zinc Verdohemes
Authors of publication	James A. Johnson; Marilyn M. Olmstead; Alan M. Stolzenberg; Alan L. Balch
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	5585 - 5595
a	23.102 ± 0.004 Å
b	15.6338 ± 0.0016 Å
c	20.557 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	7424.6 ± 1.8 Å³
Cell temperature	133 ± 2 K
Ambient diffraction temperature	133 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1335
Residual factor for significantly intense reflections	0.08
Weighted residual factors for significantly intense reflections	0.2063
Weighted residual factors for all reflections included in the refinement	0.2454
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4320379.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320379.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320379.cif
17287	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320379 via cif-deposit CGI script.	4320379.cif