Crystallography Open Database

Information card for entry 4337844

Preview

Coordinates	4337844.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H18 Cl Cu F6 N4 O3 P
Calculated formula	C18 H18 Cl Cu F6 N4 O3 P
Title of publication	A 3-Fold-Symmetric Ligand Based on 2-Hydroxypyridine: Regulation of Ligand Binding by Hydrogen Bonding.
Authors of publication	Moore, Cameron M.; Quist, David A.; Kampf, Jeff W.; Szymczak, Nathaniel K.
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	7
Pages of publication	3278
a	15.9813 ± 0.0003 Å
b	9.9195 ± 0.0002 Å
c	27.99 ± 0.002 Å
α	90°
β	93.677 ± 0.007°
γ	90°
Cell volume	4428 ± 0.3 Å³
Cell temperature	85 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0829
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.2167
Weighted residual factors for all reflections included in the refinement	0.2207
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179481 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/78.	4337844.cif
110325	2014-04-18	cod/cif/ (saulius@koala.ibt.lt) Appending periods (".") to author initials in the recently added bibliographies (using 'cif_reformat_pubmed_author_names').	4337844.cif
109903	2014-04-17	cif/ Updating files of 4337842, 4337843, 4337844 Original log message: Adding full bibliography for 4337842--4337844.cif.	4337844.cif
108447	2014-04-02	cif/ Adding structures of 4337844 via cif-deposit CGI script.	4337844.cif