Crystallography Open Database

Information card for entry 4316720

Preview

Coordinates	4316720.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	complex7 (Sinay)
Formula	C23 H24 F9 Li N4 O
Calculated formula	C23 H24 F9 Li N4 O
Title of publication	Chemoselectivity Diversity in the Reaction of LiNC6F5SiMe3 with Nitriles and the Synthesis, Structure, and Reactivity of Zirconium Mono- and Tris[2-(2-pyridyl)tetrafluorobenzimidazolate] Complexes
Authors of publication	Sinai Aharonovich; Mark Botoshansky; Robert M. Waymouth; Moris S. Eisen
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	9217 - 9229
a	8.807 ± 0.002 Å
b	16.647 ± 0.003 Å
c	9.424 ± 0.002 Å
α	90°
β	114.82 ± 0.03°
γ	90°
Cell volume	1254 ± 0.5 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0576
Residual factor for significantly intense reflections	0.0411
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1186
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
179247 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/67.	4316720.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4316720.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4316720.cif
17004	2011-03-31	cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif \| sort \| xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} \| > cif_filter --add-cif-header {} \| > sponge {} ) 2>&1 \| grep NOTE; then svn revert {}; > fi' ) &	4316720.cif
10226	2011-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4316720 via cif-deposit CGI script.	4316720.cif