Crystallography Open Database

Information card for entry 4074893

Preview

Coordinates	4074893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H51 B2 F24 N7 O W
Calculated formula	C62 H51 B2 F24 N7 O W
SMILES	[W]123(C#[O])([C](#[C]1c1ccccc1)C)([N]1CCCC=1C)[n]1n([BH](n4[n]2c(cc4C)C)n2[n]3c(cc2C)C)c(cc1C)C.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Title of publication	Reactivity Relationships between Chiral Cyclic Amido and Imine Tungsten(II) Complexes
Authors of publication	Garrett, Andrew D.; Vogeley, Neil J.; Varner, James R.; White, Peter S.; Templeton, Joseph L.
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	7
Pages of publication	1728
a	14.288 ± 0.003 Å
b	12.824 ± 0.003 Å
c	35.951 ± 0.007 Å
α	90°
β	92.968 ± 0.012°
γ	90°
Cell volume	6578 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178637 (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 4/07/48.	4074893.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074893.cif
48946	2012-03-27	../uploads/cif-deposit/cod/cif Adding structures of 4074893 via cif-deposit CGI script.	4074893.cif