Crystallography Open Database

Information card for entry 7225445

Preview

Coordinates	7225445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 N4 Ni P2 S5
Calculated formula	C36 H28 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	6.8385 ± 0.0002 Å
b	12.0415 ± 0.0003 Å
c	22.6405 ± 0.0004 Å
α	101.922 ± 0.002°
β	97.35 ± 0.002°
γ	93.086 ± 0.002°
Cell volume	1802.95 ± 0.08 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0684
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.1033
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	0.964
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
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.	7225445.cif
183371	2016-06-11	cif/ Adding structures of 7225443, 7225444, 7225445, 7225446, 7225447, 7225448, 7225449, 7225450 via cif-deposit CGI script.	7225445.cif