Crystallography Open Database

Information card for entry 7225444

Preview

Coordinates	7225444.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	2007slh1465/ssg1554/208
Formula	C40 H56 N8 Ni2 O8 P4 S10
Calculated formula	C40 H56 N8 Ni2 O8 P4 S10
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	11.728 ± 0.002 Å
b	14.435 ± 0.003 Å
c	18.657 ± 0.004 Å
α	104.4 ± 0.03°
β	103.02 ± 0.03°
γ	101.92 ± 0.03°
Cell volume	2862.9 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1277
Residual factor for significantly intense reflections	0.0969
Weighted residual factors for significantly intense reflections	0.2445
Weighted residual factors for all reflections included in the refinement	0.2663
Goodness-of-fit parameter for all reflections included in the refinement	1.137
Diffraction radiation wavelength	0.6893 Å
Diffraction radiation type	synchrotron
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.	7225444.cif
183371	2016-06-11	cif/ Adding structures of 7225443, 7225444, 7225445, 7225446, 7225447, 7225448, 7225449, 7225450 via cif-deposit CGI script.	7225444.cif