Crystallography Open Database

Information card for entry 7702433

Preview

Coordinates	7702433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H41.5 Cl2 N4 Ni2 O8.75 S2
Calculated formula	C31 H41.5 Cl2 N4 Ni2 O8.75 S2
Title of publication	Conversion of some substituted phenols to the corresponding masked thiophenols, synthesis of a dinickel(II) dithiolate macrocyclic complex and isolation of some metal- and ligand-based oxidation products
Authors of publication	Brooker, Sally; Caygill, Graham B.; Croucher, Paul D.; Davidson, Tony C.; Clive, Derrick L. J.; Magnuson, Stephen R.; Cramer, Stephen P.; Ralston, Corie Y.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	18
Pages of publication	3113
a	20.517 ± 0.002 Å
b	27.241 ± 0.003 Å
c	15.7733 ± 0.0017 Å
α	90°
β	90°
γ	90°
Cell volume	8815.8 ± 1.6 Å³
Cell temperature	158 ± 2 K
Ambient diffraction temperature	158 ± 2 K
Number of distinct elements	7
Space group number	60
Hermann-Mauguin space group symbol	P b c n
Hall space group symbol	-P 2n 2ab
Residual factor for all reflections	0.1927
Residual factor for significantly intense reflections	0.1374
Weighted residual factors for significantly intense reflections	0.3812
Weighted residual factors for all reflections included in the refinement	0.4096
Goodness-of-fit parameter for all reflections included in the refinement	1.173
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
243866 (current)	2019-11-28	cif/ Adding structures of 7702433, 7702434, 7702435, 7702436, 7702437 via cif-deposit CGI script.	7702433.cif