Crystallography Open Database

Information card for entry 7702437

Preview

Coordinates	7702437.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 N8 Ni2 O8 S2
Calculated formula	C30 H40 N8 Ni2 O8 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	21.884 ± 0.006 Å
b	9.948 ± 0.003 Å
c	18.441 ± 0.005 Å
α	90°
β	117.713 ± 0.003°
γ	90°
Cell volume	3554.1 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0416
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0582
Weighted residual factors for all reflections included in the refinement	0.0602
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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
243866 (current)	2019-11-28	cif/ Adding structures of 7702433, 7702434, 7702435, 7702436, 7702437 via cif-deposit CGI script.	7702437.cif