Crystallography Open Database

Information card for entry 7012001

7012000 << 7012001 >> 7012002

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Coordinates	7012001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H84 Co2 O14 Ti2
Calculated formula	C40 H84 Co2 O14 Ti2
SMILES	C1(C)=CC(C)=[O][Ti]2([O](C(C)C)[Co]3([O]2C(C)C)[O](C(C)C)[Co]2([O](C(C)C)[Ti]4(OC(C)C)([O]=C(C)C=C(C)O4)(OC(C)C)[O]2C(C)C)[O]3C(C)C)(OC(C)C)(O1)OC(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	9.953 ± 0.005 Å
b	10.004 ± 0.006 Å
c	15.639 ± 0.01 Å
α	83.275 ± 0.009°
β	79.323 ± 0.015°
γ	64.758 ± 0.009°
Cell volume	1382.8 ± 1.4 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 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	0.1166
Residual factor for significantly intense reflections	0.0554
Weighted residual factors for significantly intense reflections	0.1358
Weighted residual factors for all reflections included in the refinement	0.1618
Goodness-of-fit parameter for all reflections included in the refinement	0.838
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.	7012001.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.	7012001.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7012001.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7012001.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.	7012001.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7012001.cif