Crystallography Open Database

Information card for entry 7225449

Preview

Coordinates	7225449.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H44 N4 Ni P2 S5
Calculated formula	C50.014 H44.016 N4 Ni P2 S5
Title of publication	Coordination polymers and polygons using di-pyridyl-thiadiazole spacers and substituted phosphorodithioato NiIIcomplexes: potential and limitations for inorganic crystal engineering
Authors of publication	Aragoni, M. Carla; Arca, Massimiliano; Coles, Simon J.; Crespo Alonso, Miriam; Coles (née Huth), Susanne L.; Davies, Robert P.; Hursthouse, Michael B.; Isaia, Francesco; Lai, Romina; Lippolis, Vito
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	30
Pages of publication	5620
a	26.52841 ± 0.00017 Å
b	25.85346 ± 0.00016 Å
c	7.00906 ± 0.00005 Å
α	90°
β	90°
γ	90°
Cell volume	4807.17 ± 0.05 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0886
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.2236
Weighted residual factors for all reflections included in the refinement	0.2246
Goodness-of-fit parameter for all reflections included in the refinement	1.211
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
185178 (current)	2016-08-07	cif/ Updating files of 7225443, 7225444, 7225445, 7225446, 7225447, 7225448, 7225449, 7225450 Original log message: Adding full bibliography for 7225443--7225450.cif.	7225449.cif
183371	2016-06-11	cif/ Adding structures of 7225443, 7225444, 7225445, 7225446, 7225447, 7225448, 7225449, 7225450 via cif-deposit CGI script.	7225449.cif