Crystallography Open Database

Information card for entry 4319283

4319282 << 4319283 >> 4319284

Preview

Coordinates	4319283.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C75 H100 N2 O2 Zn
Calculated formula	C75 H100 N2 O2 Zn
SMILES	[Zn]12(Oc3c(C(C)(C)C)cc(cc3C=[N]2c2c(cccc2C(C)C)C(C)C)C(C)(C)C)[N](=Cc2c(O1)c(C(C)(C)C)cc(c2)C(C)(C)C)c1c(cccc1C(C)C)C(C)C.c1ccccc1C.c1c(cccc1)C.c1c(cccc1)C
Title of publication	Bis-Salicylaldiminato Complexes of Zinc. Examination of the Catalyzed Epoxide/CO2 Copolymerization
Authors of publication	Donald J. Darensbourg; Patrick Rainey; Jason Yarbrough
Journal of publication	Inorganic Chemistry
Year of publication	2001
Journal volume	40
Pages of publication	986 - 993
a	14.3993 ± 0.0013 Å
b	15.3231 ± 0.0013 Å
c	15.8728 ± 0.0014 Å
α	89.257 ± 0.002°
β	73.296 ± 0.002°
γ	83.682 ± 0.002°
Cell volume	3333.4 ± 0.5 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1503
Residual factor for significantly intense reflections	0.0799
Weighted residual factors for significantly intense reflections	0.194
Weighted residual factors for all reflections included in the refinement	0.2412
Goodness-of-fit parameter for all reflections included in the refinement	0.711
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
255805 (current)	2020-09-02	cif/4 Fixing Z values and formulae	4319283.cif
179272	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 4/31/92.	4319283.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4319283.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4319283.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' ) &	4319283.cif
16015	2011-03-19	../uploads/cif-deposit/cod/cif Adding structures of 4319283 via cif-deposit CGI script.	4319283.cif