Crystallography Open Database

Information card for entry 8103236

Preview

Coordinates	8103236.cif

Structure parameters

Formula	C26 H10 Cu F8 N2 O8
Calculated formula	C26 H10 Cu F8 N2 O8
SMILES	[Cu]1([n]2c(c3[n]1cccc3)cccc2)(OC(=O)c1c(c(F)c(F)c(F)c1F)C(=O)O)OC(=O)c1c(c(F)c(F)c(F)c1F)C(=O)O
Title of publication	Crystal structure of bis(tetrafluorophthlato-?O)(2,2'-bipyridine-?2N,N')copper(II), Cu(C8HF4O4)2(C10H8N2)
Authors of publication	Jun Zhang; Jing-Cheng Zhu; Kun Ying
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2011
Journal volume	226
Journal issue	4
Pages of publication	557
a	9.72 ± 0.0011 Å
b	11.6077 ± 0.0014 Å
c	12.7189 ± 0.0015 Å
α	68.273 ± 0.001°
β	72.623 ± 0.001°
γ	81.361 ± 0.001°
Cell volume	1271 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.041
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	8103236.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.	8103236.cif
35911	2012-02-28	cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree.	8103236.cif
32578	2012-02-09	../uploads/cif-deposit/cod/cif Adding structures of 8103236 via cif-deposit CGI script.	8103236.cif