Crystallography Open Database

Information card for entry 7200961

7200960 << 7200961 >> 7200962

Preview

Coordinates	7200961.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Polymeric tetra-mu-acetato-diaqua-tris(4,4- bipyridyl)trizinc(ii) bis(hexafluorophosphate)monohydrate
Formula	C38 H44 F12 N6 O12 P2 Zn3
Calculated formula	C38 H40 F12 N6 O12 P2 Zn3
Title of publication	Drastic steric effects from, respectively, a hydrogen, a methyl and an ethyl group on the coordination network of a zinc(II)‒4,4′-bipyridine‒carboxylato ternary system
Authors of publication	Phuengphai, Pongthipun; Youngme, Sujittra; Kongsaeree, Palangpon; Pakawatchai, Chaveng; Chaichit, Narongsak; Teat, Simon J.; Gamez, Patrick; Reedijk, Jan
Journal of publication	CrystEngComm
Year of publication	2009
Journal volume	11
Journal issue	8
Pages of publication	1723
a	10.6952 ± 0.0007 Å
b	11.4831 ± 0.0007 Å
c	11.7638 ± 0.0007 Å
α	101.558 ± 0.002°
β	116.757 ± 0.002°
γ	95.574 ± 0.002°
Cell volume	1234.58 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0895
Residual factor for significantly intense reflections	0.0648
Weighted residual factors for significantly intense reflections	0.1666
Weighted residual factors for all reflections included in the refinement	0.1867
Goodness-of-fit parameter for all reflections included in the refinement	1.007
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
180340 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/09.	7200961.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7200961.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7200961.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7200961.cif
1167	2010-05-13	cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19.	7200961.cif