Crystallography Open Database

Information card for entry 4336090

Preview

Coordinates	4336090.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H32 B2 I2 N8 O4 Zn2
Calculated formula	C32 H32 B2 I2 N8 O4 Zn2
SMILES	I[Zn]123[O]([Zn]45(I)[O]1=C1N([BH]([H]4)N4C(=[O]5)N(c5c4cccc5)C)c4ccccc4N1C)=C1N([BH]([H]3)N3C(=[O]2)N(c2c3cccc2)C)c2ccccc2N1C
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	8.797 ± 0.003 Å
b	10.599 ± 0.004 Å
c	11.305 ± 0.004 Å
α	68.735 ± 0.005°
β	78.585 ± 0.005°
γ	67.408 ± 0.005°
Cell volume	904.8 ± 0.6 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0556
Residual factor for significantly intense reflections	0.0344
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0811
Goodness-of-fit parameter for all reflections included in the refinement	1.008
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
179463 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/60.	4336090.cif
102060	2014-02-19	cif/ Adding structures of 4336090 via cif-deposit CGI script.	4336090.cif