Crystallography Open Database

Information card for entry 4320378

4320377 << 4320378 >> 4320379

Preview

Coordinates	4320378.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	m-H2O-{(ZnII(OEB-10,15,19-(CN)3)}2oacetone
Formula	C79 H90 N14 O4 Zn2
Calculated formula	C79 H90 N14 O4 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	23.3553 ± 0.0011 Å
b	15.175 ± 0.0007 Å
c	20.8893 ± 0.001 Å
α	90°
β	97.479 ± 0.001°
γ	90°
Cell volume	7340.5 ± 0.6 Å³
Cell temperature	91 ± 2 K
Ambient diffraction temperature	91 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0827
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.1166
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179306 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/03.	4320378.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4320378.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4320378.cif
17286	2011-04-06	../uploads/cif-deposit/cod/cif Adding structures of 4320378 via cif-deposit CGI script.	4320378.cif