Crystallography Open Database

Information card for entry 8102489

Preview

Coordinates	8102489.cif

Structure parameters

Formula	C64 H52 N16 O18 Zn4
Calculated formula	C64 H52 N16 O18 Zn4
Title of publication	Crystal structure of tetrakis(m-4,4'-bipyridine-N,N')-octa(cyanoaceto)tetrazinc(II) — water (1:2), Zn4(C10H8N2)4(C3H2NO2)8 · 2H2O
Authors of publication	Xun Feng; Tie-Chen Feng; Jian-She Zhao; Xin-Ge Shi; Fang Ruan
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	541
a	28.914 ± 0.002 Å
b	17.122 ± 0.002 Å
c	15.8725 ± 0.0013 Å
α	90°
β	123.204 ± 0.002°
γ	90°
Cell volume	6574.9 ± 1.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 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	0.1254
Residual factor for significantly intense reflections	0.1151
Weighted residual factors for significantly intense reflections	0.1882
Weighted residual factors for all reflections included in the refinement	0.1935
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
211175 (current)	2018-09-26	cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8.	8102489.cif
176728	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8.	8102489.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102489.cif
13228	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102489 via cif-deposit CGI script.	8102489.cif