Crystallography Open Database

Information card for entry 2018945

2018944 << 2018945 >> 2018946

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Coordinates	2018945.cif
Structure factors	2018945.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[diiodidocadmium (II)]-μ~3~-1-[(pyridin-3-yl)methyl]-2-[4-(pyridin-3-yl)phenyl]-1<i>H</i>-benzimidazole]
Formula	C24 H18 Cd I2 N4
Calculated formula	C24 H18 Cd I2 N4
SMILES	[Cd]1(I)(I)[n]2c(n(c3c2cccc3)Cc2cccnc2)c2ccc(cc2)c2ccc[n](c2)[Cd]2(I)(I)[n]3c(c4ccc(c5ccc[n]1c5)cc4)n(c1c3cccc1)Cc1ccc[n](c1)[Cd]1(I)(I)[n]3c(n(c4c3cccc4)Cc3ccc[n]2c3)c2ccc(cc2)c2ccc[n](c2)[Cd](I)(I)[n]2c(c3ccc(c4ccc[n]1c4)cc3)n(c1c2cccc1)Cc1cccnc1
Title of publication	Two one-dimensional coordination polymers generated from a new benzimidazole bridging ligand and Cd<i>X</i>~2~ (<i>X</i> = Br and I)
Authors of publication	Zhang, Yue-Feng; Ma, Jian-Ping; Liu, Qi-Kui; Dong, Yu-Bin
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	5
Pages of publication	476 - 479
a	9.128 ± 0.002 Å
b	10.254 ± 0.003 Å
c	13.429 ± 0.004 Å
α	70.065 ± 0.003°
β	77.717 ± 0.004°
γ	86.952 ± 0.003°
Cell volume	1154.3 ± 0.5 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0361
Residual factor for significantly intense reflections	0.0304
Weighted residual factors for significantly intense reflections	0.0745
Weighted residual factors for all reflections included in the refinement	0.0771
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
180858 (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 2/01/89.	2018945.cif 2018945.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.	2018945.cif 2018945.hkl
88055	2013-08-28	cod/cif/ (saulius@koala.ibt.lt) Adding the _cod_database_fobs_code links for those COD CIFs that have their Fobs deposited recently.	2018945.cif 2018945.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2018945.cif 2018945.hkl
86473	2013-07-11	cif/ Adding structures of 2018944, 2018945 via cif-deposit CGI script.	2018945.cif