Crystallography Open Database

Information card for entry 7010003

Preview

Coordinates	7010003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H64 N4 O2 W
Calculated formula	C40 H64 N4 O2 W
SMILES	[W]123(Oc4c(C=[N]2CC[N]3=Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)cc(cc4C(C)(C)C)C(C)(C)C)(=NC(C)(C)C)=NC(C)(C)C
Title of publication	The first bis(imido) transition metal Schiff-base complexes
Authors of publication	Motevalli, Majid; Parkin, Bernadeta C.; Ramnauth, Ramkrishna; Sullivan, Alice C.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	16
Pages of publication	2661
a	10.76 ± 0.004 Å
b	14.371 ± 0.008 Å
c	14.981 ± 0.009 Å
α	114.95 ± 0.05°
β	84.79 ± 0.05°
γ	98.11 ± 0.05°
Cell volume	2078 ± 2 Å³
Cell temperature	453 ± 2 K
Ambient diffraction temperature	453 ± 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	0.0752
Residual factor for significantly intense reflections	0.0659
Weighted residual factors for significantly intense reflections	0.2139
Weighted residual factors for all reflections included in the refinement	0.2232
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
179804 (current)	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 7/01/00.	7010003.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7010003.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7010003.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7010003.cif