Crystallography Open Database

Information card for entry 4072854

Preview

Coordinates	4072854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H43 B2 K N2 O2
Calculated formula	C28 H43 B2 K N2 O2
SMILES	[K]([O]1CCCC1)[O]1CCCC1.N1(N(C(C)C)B(C(=[B]1c1ccccc1)C)c1ccccc1)C(C)C
Title of publication	Alkali-Metal Sandwich Complexes of a 1,2-Diaza-3,5-diborolyl Ligand Featuring η1, η2, η3, and η4Coordination Modes
Authors of publication	Ly, Hanh V.; Forster, Taryn D.; Corrente, Andrea M.; Eisler, Dana J.; Konu, Jari; Parvez, Masood; Roesler, Roland
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	7
Pages of publication	1750
a	11.852 ± 0.007 Å
b	6.165 ± 0.002 Å
c	20.203 ± 0.013 Å
α	90°
β	96.06 ± 0.02°
γ	90°
Cell volume	1467.9 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0964
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.122
Weighted residual factors for all reflections included in the refinement	0.1439
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
178617 (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 4/07/28.	4072854.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072854.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072854.cif
46031	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4072854 via cif-deposit CGI script.	4072854.cif