Crystallography Open Database

Information card for entry 2018965

2018964 << 2018965 >> 2018966

Preview

Coordinates	2018965.cif
Structure factors	2018965.hkl
Original IUCr paper	HTML

Structure parameters

Chemical name	<i>catena</i>-Poly[[[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]chloridozinc(II)]-μ-[1,1'-biphenyl]-4,4'-dicarboxylato-[[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]chloridozinc(II)]-μ-[<i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide]]
Formula	C46 H37 Cl N6 O5 Zn
Calculated formula	C46 H37 Cl N6 O5 Zn
Title of publication	A one-dimensional zinc(II) coordination polymer incorporating [1,1'-biphenyl]-4,4'-dicarboxylate and <i>N</i>,<i>N</i>'-bis(pyridin-3-ylmethyl)-[1,1'-biphenyl]-4,4'-dicarboxamide ligands
Authors of publication	Zhou, Wen; Wang, Jian
Journal of publication	Acta Crystallographica Section C
Year of publication	2013
Journal volume	69
Journal issue	5
Pages of publication	486 - 490
a	8.9365 ± 0.0002 Å
b	9.7815 ± 0.0002 Å
c	22.3819 ± 0.0005 Å
α	86.696 ± 0.002°
β	80.675 ± 0.002°
γ	89.888 ± 0.002°
Cell volume	1927.34 ± 0.07 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0923
Residual factor for significantly intense reflections	0.0497
Weighted residual factors for significantly intense reflections	0.0991
Weighted residual factors for all reflections included in the refinement	0.1138
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	2018965.cif 2018965.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.	2018965.cif 2018965.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.	2018965.cif 2018965.hkl
88054	2013-08-28	cod/hkl/ (saulius@koala.ibt.lt) Adding Fobs files for the recently deposited IUCr coordinate data.	2018965.cif 2018965.hkl
86612	2013-07-11	cif/ Adding structures of 2018965 via cif-deposit CGI script.	2018965.cif