Crystallography Open Database

Information card for entry 7222259

Preview

Coordinates	7222259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H27 Br N4 Ni O5
Calculated formula	C22 H27 Br N4 Ni O5
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	11.1506 ± 0.0011 Å
b	16.0135 ± 0.0016 Å
c	16.0539 ± 0.0012 Å
α	90°
β	124.571 ± 0.005°
γ	90°
Cell volume	2360.4 ± 0.4 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1056
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1479
Weighted residual factors for all reflections included in the refinement	0.1699
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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.	7222259.cif
158212	2015-09-22	cif/ Adding structures of 7222259, 7222260, 7222261, 7222262 via cif-deposit CGI script.	7222259.cif