Crystallography Open Database

Information card for entry 2018716

2018715 << 2018716 >> 2018717

Preview

Coordinates	2018716.cif
Structure factors	2018716.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[nickel(II)-μ~2~-[1,3-bis(imidazol-1-ylmethyl)benzene- κ^2^<i>N</i>^3^:<i>N</i>^3'^]-μ~2~-(5-carboxybenzene-1,3-dicarboxylato- κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)] 0.41-hydrate]
Formula	C23 H18.82 N4 Ni O6.41
Calculated formula	C23 H18.83 N4 Ni O6.415
Title of publication	<i>catena</i>-Poly[[nickel(II)-μ~2~-[1,3-bis(imidazol-1-ylmethyl)benzene-κ^2^<i>N</i>^3^:<i>N</i>^3'^]-μ~2~-(5-carboxybenzene-1,3-dicarboxylato-κ^4^<i>O</i>^1^,<i>O</i>^1'^:<i>O</i>^3^,<i>O</i>^3'^)] 0.41-hydrate]
Authors of publication	Wang, Xiao-Dan; Hou, Guang-Feng; Yu, Ying-Hui; Gao, Jin-Sheng
Journal of publication	Acta Crystallographica Section C
Year of publication	2012
Journal volume	68
Journal issue	12
Pages of publication	m336 - m339
a	7.8106 ± 0.0016 Å
b	16.929 ± 0.003 Å
c	17.144 ± 0.005 Å
α	90°
β	105.48 ± 0.03°
γ	90°
Cell volume	2184.6 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0877
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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
180856 (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 2/01/87.	2018716.cif 2018716.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.	2018716.cif 2018716.hkl
125873	2014-10-25	cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes.	2018716.cif 2018716.hkl
88064	2013-08-29	Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet.	2018716.cif 2018716.hkl
74188	2013-02-22	hkl/ Adding the rest of the Fobs data for the structures publishe din the IUCr journals in 2012 and in January of 2013.	2018716.cif 2018716.hkl
71128	2013-01-18	cif/ Adding structures of 2018716 via cif-deposit CGI script.	2018716.cif