Crystallography Open Database

Information card for entry 7208654

7208653 << 7208654 >> 7208655

Preview

Coordinates	7208654.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H19 N3 Ni O6
Calculated formula	C19 H19 N3 Ni O6
Title of publication	Syntheses, crystal structures and properties of transition metal coordination polymers based on isophthalic acid and flexible bis(pyridyl) ligand with unsymmetrical spacer: influence of metal cations, ligand conformations and coordination modes
Authors of publication	Deng, Zhao-Peng; Zhang, Zhu-Yan; Huo, Li-Hua; Ng, Seik Weng; Zhao, Hui; Gao, Shan
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	20
Pages of publication	6548
a	9.4225 ± 0.0018 Å
b	17.784 ± 0.004 Å
c	11.416 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	1913 ± 0.8 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	30
Hermann-Mauguin space group symbol	P n c 2
Hall space group symbol	P 2 -2bc
Residual factor for all reflections	0.0633
Residual factor for significantly intense reflections	0.0567
Weighted residual factors for significantly intense reflections	0.1535
Weighted residual factors for all reflections included in the refinement	0.1589
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 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.	7208654.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208654.cif
71444	2013-01-20	cif/ Adding structures of 7208648, 7208649, 7208650, 7208651, 7208652, 7208653, 7208654, 7208655 via cif-deposit CGI script.	7208654.cif