Crystallography Open Database

Information card for entry 2019143

2019142 << 2019143 >> 2019144

Preview

Coordinates	2019143.cif
Structure factors	2019143.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	Poly[[bis[μ~2~-2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole-κ^2^<i>N</i>^1^:<i>N</i>^3^]copper(I)] tetrafluoroborate acetonitrile monosolvate]
Formula	C32 H33 B Cu F4 N7
Calculated formula	C32 H33 B Cu F4 N7
SMILES	[Cu]12([n]3c4ccccc4n(c3CC)Cc3cccnc3)[n]3c4ccccc4n(c3CC)Cc3ccc[n](c3)[Cu]([n]3c4ccccc4n(c3CC)Cc3ccc[n](c3)[Cu]3([n]4cccc(Cn5c6c([n]([Cu]([n]7c8ccccc8n(c7CC)Cc7ccc[n]2c7)[n]2cccc(Cn7c8c([n]3c7CC)cccc8)c2)c5CC)cccc6)c4)[n]2c3ccccc3n(c2CC)Cc2cccnc2)[n]2c3ccccc3n(c2CC)Cc2ccc[n]1c2.N#CC.[B](F)(F)(F)[F-].N#CC.[B](F)(F)(F)[F-].N#CC.[B](F)(F)(F)[F-].N#CC.[B](F)(F)(F)[F-]
Title of publication	One-dimensional Cu^I^ and Ag^I^ ladder-like coordination polymers supported by 2-ethyl-1-(pyridin-3-ylmethyl)-1<i>H</i>-benzimidazole
Authors of publication	Gui, Liu-cheng; Liang, Guang-ming; Zou, Hua-hong; Hou, Zhong
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	9
Pages of publication	1017 - 1021
a	9.3674 ± 0.0004 Å
b	12.5367 ± 0.0006 Å
c	13.315 ± 0.0007 Å
α	89.912 ± 0.002°
β	72.786 ± 0.002°
γ	84.599 ± 0.001°
Cell volume	1486.42 ± 0.12 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.047
Weighted residual factors for significantly intense reflections	0.1368
Weighted residual factors for all reflections included in the refinement	0.1414
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
180860 (current)	2016-04-02	cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/91.	2019143.cif 2019143.hkl
176760	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01.	2019143.cif 2019143.hkl
89416	2013-10-25	cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr.	2019143.cif 2019143.hkl
89414	2013-10-24	cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures.	2019143.cif 2019143.hkl
88722	2013-10-02	cif/ Adding structures of 2019143, 2019144 via cif-deposit CGI script.	2019143.cif