Crystallography Open Database

Information card for entry 7058108

Preview

Coordinates	7058108.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50.52 H66 Br4 Cl1.48 N8.52 Ni2 O14 Pb2 S2.52
Calculated formula	C50.514 H58 Br4 Cl1.486 N8.514 Ni2 O14 Pb2 S2.514
Title of publication	A tetranuclear nickel/lead complex with a salen type Schiff base: synthesis, structure and exploration of photosensitive Schottky barrier diode behaviour
Authors of publication	Roy, Sourav; Dey, Arka; Drew, Michael G. B.; Ray, Partha Pratim; Chattopadhyay, Shouvik
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	13
Pages of publication	5020
a	38.41 ± 0.003 Å
b	38.41 ± 0.003 Å
c	12.7948 ± 0.0011 Å
α	90°
β	90°
γ	120°
Cell volume	16348 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1271
Residual factor for significantly intense reflections	0.0722
Weighted residual factors for significantly intense reflections	0.1178
Weighted residual factors for all reflections included in the refinement	0.1346
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
224870 (current)	2019-11-08	cif/ Updating files of 7058108 Original log message: Adding full bibliography for 7058108.cif.	7058108.cif
213194	2019-01-18	cif/ Adding structures of 7058108 via cif-deposit CGI script.	7058108.cif