Crystallography Open Database

Information card for entry 7206122

7206121 << 7206122 >> 7206123

Preview

Coordinates	7206122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H14.33 N2 Ni2 O13
Calculated formula	C54 H32 N2 Ni2 O12
Title of publication	Copper(ii) and nickel(ii) coordination polymers assembled from 2,4-dibenzoylisophthalic acid and different N-donor co-ligands: syntheses, crystal structures, and magnetic properties
Authors of publication	Pang, Yu; Tian, Dan; Zhu, Xiao-Fei; Luo, Yu-Hui; Zheng, Xiang; Zhang, Hong
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	16
Pages of publication	5142
a	14.096 ± 0.005 Å
b	14.096 ± 0.005 Å
c	20.062 ± 0.005 Å
α	90 ± 0.005°
β	90 ± 0.005°
γ	120 ± 0.005°
Cell volume	3452.2 ± 1.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	154
Hermann-Mauguin space group symbol	P 32 2 1
Hall space group symbol	P 32 2"
Residual factor for all reflections	0.0966
Residual factor for significantly intense reflections	0.0754
Weighted residual factors for significantly intense reflections	0.1947
Weighted residual factors for all reflections included in the refinement	0.2128
Goodness-of-fit parameter for all reflections included in the refinement	1.033
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7206122.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206122.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206122.cif
23524	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206121, 7206122, 7206123, 7206124 via cif-deposit CGI script.	7206122.cif