Crystallography Open Database

Information card for entry 7003246

Preview

Coordinates	7003246.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H50 F14 N8 O6 P2
Calculated formula	C54 H50 F14 N8 O6 P2
Title of publication	Binding of HgCl2 by tripodal ligands controlled by AgPF6: receptors for the PF6− anion
Authors of publication	Singh, Ashutosh S.; Bharadwaj, Parimal K.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	6
Pages of publication	738 - 741
a	13.333 ± 0.0017 Å
b	13.333 ± 0.0017 Å
c	26.773 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	4121.8 ± 1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0664
Residual factor for significantly intense reflections	0.0577
Weighted residual factors for significantly intense reflections	0.15
Weighted residual factors for all reflections included in the refinement	0.1548
Goodness-of-fit parameter for all reflections included in the refinement	1.143
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7003246.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003246.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003246.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003246.cif