Crystallography Open Database

Information card for entry 7003893

Preview

Coordinates	7003893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56.5 H56.5 B2 Cl1.5 Hg
Calculated formula	C56.5 H56.5 B2 Cl1.5 Hg
Title of publication	Fluoride ion complexation by a B2/Hg heteronuclear tridentate lewis acid
Authors of publication	Dorsey, Christopher L.; Jewula, Pawel; Hudnall, Todd W.; Hoefelmeyer, James D.; Taylor, Thomas J.; Honesty, Nicole R.; Chiu, Ching-Wen; Schulte, Marcus; Gabbaï, François P.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	33
Pages of publication	4442 - 4450
a	12.1981 ± 0.0019 Å
b	27.747 ± 0.004 Å
c	14.241 ± 0.003 Å
α	90°
β	98.204 ± 0.007°
γ	90°
Cell volume	4770.7 ± 1.4 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
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	0.1167
Residual factor for significantly intense reflections	0.0731
Weighted residual factors for significantly intense reflections	0.1651
Weighted residual factors for all reflections included in the refinement	0.186
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
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.	7003893.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003893.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003893.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.	7003893.cif