Crystallography Open Database

Information card for entry 7229343

Preview

Coordinates	7229343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H48 Ba N4 Ni2 O18
Calculated formula	C39 H48 Ba N4 Ni2 O18
Title of publication	Tri- and hexanuclear heterometallic Ni(ii)‒M(ii) (M = Ca, Sr and Ba) bis(salamo)-type complexes: synthesis, structure and fluorescence properties
Authors of publication	Dong, Xiu-Yan; Li, Xiao-Yan; Liu, Ling-Zhi; Zhang, Han; Ding, Yu-Jie; Dong, Wen-Kui
Journal of publication	RSC Adv.
Year of publication	2017
Journal volume	7
Journal issue	76
Pages of publication	48394
a	15.8005 ± 0.0003 Å
b	15.7041 ± 0.0003 Å
c	18.2762 ± 0.0004 Å
α	90°
β	94.551 ± 0.002°
γ	90°
Cell volume	4520.62 ± 0.16 Å³
Cell temperature	294.06 ± 0.1 K
Ambient diffraction temperature	294.06 ± 0.1 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0546
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0874
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
202050 (current)	2017-10-17	cif/ Adding structures of 7229341, 7229342, 7229343 via cif-deposit CGI script.	7229343.cif