Crystallography Open Database

Information card for entry 7012008

7012007 << 7012008 >> 7012009

Preview

Coordinates	7012008.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H44 Ni2 O10
Calculated formula	C26 H42 Ni2 O10
SMILES	[OH](C(C)C)[Ni]123([O]=C(C=C([O]1[Ni]14([OH]C(C)C)([O]=C(C=C([O]21)C)C)OC(=CC(=[O]4)C)C)C)C)OC(=CC(=[O]3)C)C
Title of publication	Interaction of some divalent metal acetylacetonates with Al, Ti, Nb and Ta isopropoxides. Factors influencing the formation and stability of heterometallic alkoxide complexes
Authors of publication	Kessler, Vadim G.; Gohil, Suresh; Parola, Stephane
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	4
Pages of publication	544 - 550
a	9.335 ± 0.007 Å
b	8.508 ± 0.006 Å
c	19.213 ± 0.014 Å
α	90°
β	97.51 ± 0.02°
γ	90°
Cell volume	1512.8 ± 1.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	4
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	0.1354
Residual factor for significantly intense reflections	0.0607
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.135
Goodness-of-fit parameter for all reflections included in the refinement	0.871
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
297211 (current)	2025-01-08	Updated bibliographic information in entries 7012000-7012008.	7012008.cif
179824	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/20.	7012008.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012008.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012008.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.	7012008.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012008.cif