Crystallography Open Database

Information card for entry 7222261

Preview

Coordinates	7222261.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H54 Br4 N8 Ni4 O19
Calculated formula	C56 H54 Br4 N8 Ni4 O19
Title of publication	Solvent-controlled formation of four Ni(II) coordination polymers based on flexible bis(imidazole) ligand: syntheses, structural diversification, properties
Authors of publication	Li, Xiu-Yuan; Liu, Xia-Xia; Yue, Kenfen; Wu, Ya-Pan; He, Tian; Yan, Ni; Wang, Yao-Yu
Journal of publication	RSC Adv.
Year of publication	2015
a	9.2513 ± 0.0009 Å
b	10.0437 ± 0.001 Å
c	17.4014 ± 0.0017 Å
α	76.912 ± 0.002°
β	89.341 ± 0.002°
γ	79.841 ± 0.002°
Cell volume	1549.5 ± 0.3 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	0.0645
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1117
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7222261.cif
158212	2015-09-22	cif/ Adding structures of 7222259, 7222260, 7222261, 7222262 via cif-deposit CGI script.	7222261.cif