Crystallography Open Database

Information card for entry 8102537

Preview

Coordinates	8102537.cif

Structure parameters

Formula	C38 H22 Cl2 F2 N8 O2 Zn
Calculated formula	C38 H22 Cl2 F2 N8 O2 Zn
Title of publication	Crystal structure of aqua[bis[2-(2-chloro-6-fluorophenyl)imidazo[4,5-f][1,10]phenanthroline]zinc(II)]] monohydrate, Zn(H2O)(C19H9N4FCl)2 · H2O
Authors of publication	Zhan-Lin Xu; Xiao-Yuan Ma; Xiu-Yan Wang
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2009
Journal volume	224
Journal issue	4
Pages of publication	661
a	13.1806 ± 0.0013 Å
b	18.9875 ± 0.0019 Å
c	13.5282 ± 0.0013 Å
α	90°
β	104.736 ± 0.001°
γ	90°
Cell volume	3274.3 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
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	0.054
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.143
Weighted residual factors for all reflections included in the refinement	0.149
Goodness-of-fit parameter for all reflections included in the refinement	1.111
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
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.	8102537.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.	8102537.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8102537.cif
13276	2011-03-06	../uploads/cif-deposit/cod/cif Adding structures of 8102537 via cif-deposit CGI script.	8102537.cif