Crystallography Open Database

Information card for entry 7011272

Preview

Coordinates	7011272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H36 Cl11 N6 Nb2 P3 Si4
Calculated formula	C12 H36 Cl11 N6 Nb2 P3 Si4
SMILES	[Nb]123(Cl)(Cl)(Cl)N([Si](C)(C)C)P(Cl)(Cl)=[N]1[Nb]1(Cl)(Cl)(N([Si](C)(C)C)P(Cl)(Cl)=[N]1[Si](C)(C)C)[N]3=P(Cl)(Cl)N2[Si](C)(C)C
Title of publication	Synthesis and characterization of perhalogenated diazaphosphametalletidines containing transition metals from group 4 and 5
Authors of publication	Rivard, Eric; McWilliams, Andrew R.; Lough, Alan J.; Manners, Ian
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	10
Pages of publication	2173
a	9.1891 ± 0.0002 Å
b	24.4588 ± 0.0006 Å
c	18.0989 ± 0.0005 Å
α	90°
β	98.5 ± 0.03°
γ	90°
Cell volume	4023.1 ± 0.4 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	7
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	0.0728
Residual factor for significantly intense reflections	0.0466
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.095
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
179816 (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 7/01/12.	7011272.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011272.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011272.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.	7011272.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011272.cif