Crystallography Open Database

Information card for entry 7002527

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Coordinates	7002527.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H190 Br10 Co5 N32 O
Calculated formula	C112 H134 Br10 Co5 N14 O
SMILES	[Co]123(Br)([Br][Co]45(Br)[n]6c(c7[n]3c(c3[n]2c(C(=[N]1c1c(cc(cc1C(C)C)C(C)C)C(C)C)C)ccc3)ccc7)cccc6c1[n]4c(ccc1)C(=[N]5c1c(cc(cc1C(C)C)C(C)C)C(C)C)C)[N]#CC.[Co]12(Br)(Br)[N](c3c(cc(cc3C(C)C)C(C)C)C(C)C)=C(C)c3[n]1c(ccc3)c1[n]2c(ccc1)c1[n]2[Co]3(Br)([n]4c(c2ccc1)cccc4C(=[N]3c1c(cc(cc1C(C)C)C(C)C)C(C)C)C)([N]#CC)[OH2].[Co](Br)(Br)([Br-])[Br-]
Title of publication	Bis(imino)quaterpyridine-bearing multimetallic late transition metal complexes as ethylene oligomerisation catalysts
Authors of publication	Khamker, Qudsia; Champouret, Yohan D. M.; Singh, Kuldip; Solan, Gregory A.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	41
Pages of publication	8935 - 8944
a	16.391 ± 0.006 Å
b	16.542 ± 0.006 Å
c	26.641 ± 0.01 Å
α	103.258 ± 0.007°
β	92.899 ± 0.007°
γ	90.486 ± 0.007°
Cell volume	7020 ± 4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1592
Residual factor for significantly intense reflections	0.0579
Weighted residual factors for significantly intense reflections	0.1308
Weighted residual factors for all reflections included in the refinement	0.1469
Goodness-of-fit parameter for all reflections included in the refinement	0.668
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
209612 (current)	2018-08-12	cif/7/ Updating bibliography in entries 7002526-7002529, 7030604-7030607. Marking entries 7030604-7030607 as duplicates of entries 7002526-7002529.	7002527.cif
179729	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/25.	7002527.cif
120435	2014-07-15	cif/ (saulius@koala.ibt.lt) Restoring full bibliographies for the 310 COD entries with recently added DOIs (DOIs were generated automatically from the source file names). Mnay (most? all?) of these entries will probably be duplicates of later added ones, so this needs to be checked extra.	7002527.cif
120433	2014-07-15	cif/ (saulius@koala.ibt.lt) Correcting bibliographies and inserting DOIs for 310 COD entries that had bibliographies wrong, apparently because of the bug in the COD depositions system of the time when they were deposited (the bug is fixed since then; the buggy deposition system would take bibliographies from the previous deposited entry if the bibliography for a new entry wa missing). The DOIs for these entries were restored by synthesising them from the source file names.	7002527.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002527.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7002527.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002527.cif