Crystallography Open Database

Information card for entry 4336089

Preview

Coordinates	4336089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21.5 H31 B Cu N4 O2 P
Calculated formula	C19 H25 B Cu N4 O2 P
SMILES	[Cu]23([H][BH](N1C(N(c4c1cccc4)C)=[O]2)[n]1c(n(c2c1cccc2)C)O3)[P](C)(C)C
Title of publication	Synthesis and Structural Characterization of Bis(2-oxoimidazolyl)hydroborato Complexes: A New Class of Bidentate Oxygen-Donor Ligands
Authors of publication	Ahmed Al-Harbi; Yi Rong; Gerard Parkin
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10226 - 10228
a	8.8727 ± 0.0012 Å
b	10.0513 ± 0.0014 Å
c	14.569 ± 0.002 Å
α	90.266 ± 0.002°
β	101.055 ± 0.002°
γ	112.945 ± 0.002°
Cell volume	1169.8 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1226
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.0879
Weighted residual factors for all reflections included in the refinement	0.0981
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4336089.cif
102059	2014-02-19	cif/ Adding structures of 4336089 via cif-deposit CGI script.	4336089.cif