Crystallography Open Database

Information card for entry 7100118

Preview

Coordinates	7100118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H38 N3 Ni
Calculated formula	C28 H38 N3 Ni
SMILES	[Ni]12([n]3ccc(cc3c3cc(cc([n]13)c1cc(cc[n]21)C(C)(C)C)C(C)(C)C)C(C)(C)C)C
Title of publication	Analysis of Key Steps in the Catalytic Cross-Coupling of Alkyl Electrophiles Under Negishi-like Conditions
Authors of publication	David Vicic; Thomas J. Anderson; Gavin D. Jones; Chris McFarland
Journal of publication	Chemical Communications
Year of publication	2005
a	11.89 ± 0.01 Å
b	10.947 ± 0.017 Å
c	20.178 ± 0.019 Å
α	90°
β	105.977 ± 0.006°
γ	90°
Cell volume	2525 ± 5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180103 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/01.	7100118.cif
120677	2014-07-23	cod/ (saulius@koala.ibt.lt) Adding 4906 DOIs identified by CodBot.	7100118.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7100118.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	7100118.cif
853	2009-11-16	cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion.	7100118.cif
19	2008-01-26	Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif \| xargs perl -i -pe 's/\r\n/\n/'	7100118.cif
14	2008-01-14	Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files.	7100118.cif
13	2008-01-13	Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory.	7100118.cif
1	2007-11-30	Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29)	7100118.cif