Crystallography Open Database

Information card for entry 4313279

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Coordinates	4313279.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	holne30
Chemical name	(2,4-bis(2,6-diisopropylphenyl)imido)pentyl bis(trimethylsilyl)amido nickel(ii)
Formula	C35 H59 N3 Ni Si2
Calculated formula	C35 H59 N3 Ni Si2
SMILES	[Ni]1(N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C)N([Si](C)(C)C)[Si](C)(C)C
Title of publication	Nickel Complexes of a Bulky β-Diketiminate Ligand
Authors of publication	Nathan A. Eckert; Emily M. Bones; Rene J. Lachicotte; Patrick L. Holland
Journal of publication	Inorganic Chemistry
Year of publication	2003
Journal volume	42
Pages of publication	1720 - 1725
a	9.153 ± 0.0005 Å
b	20.2569 ± 0.001 Å
c	20.197 ± 0.001 Å
α	90°
β	90.785 ± 0.001°
γ	90°
Cell volume	3744.4 ± 0.3 Å³
Cell temperature	193 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0871
Residual factor for significantly intense reflections	0.0643
Weighted residual factors for significantly intense reflections	0.1244
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.135
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
179188 (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 4/31/32.	4313279.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4313279.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4313279.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' ) &	4313279.cif
6348	2011-01-11	../uploads/cif-deposit/cod/cif Adding structures of 4313279 via cif-deposit CGI script.	4313279.cif