Crystallography Open Database

Information card for entry 4073897

Preview

Coordinates	4073897.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 N P2 Ta
Calculated formula	C28 H44 N P2 Ta
SMILES	c12c(ccc(c2)C)N2[Ta](=C)([P]1(C(C)C)C(C)C)([P](c1cc(ccc21)C)(C(C)C)C(C)C)=C
Title of publication	Bis(methylidene) Complex of Tantalum Supported by a PNP Ligand
Authors of publication	Gerber, Laura C. H.; Watson, Lori A.; Parkin, Sean; Weng, Wei; Foxman, Bruce M.; Ozerov, Oleg V.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	20
Pages of publication	4866
a	11.5592 ± 0.0002 Å
b	9.3509 ± 0.0002 Å
c	12.8516 ± 0.0002 Å
α	90°
β	95.836 ± 0.001°
γ	90°
Cell volume	1381.92 ± 0.04 Å³
Cell temperature	90 ± 0.2 K
Ambient diffraction temperature	90 ± 0.2 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.018
Residual factor for significantly intense reflections	0.0153
Weighted residual factors for significantly intense reflections	0.0362
Weighted residual factors for all reflections included in the refinement	0.0367
Goodness-of-fit parameter for all reflections included in the refinement	0.995
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
178627 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/38.	4073897.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073897.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073897.cif
46614	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073897 via cif-deposit CGI script.	4073897.cif