Crystallography Open Database

Information card for entry 7702991

Preview

Coordinates	7702991.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H57 Co N7 S2
Calculated formula	C51 H57 Co N7 S2
Title of publication	Stereochemistry of coordination polyhedra vs. single ion magnetism in penta- and hexacoordinated Co(ii) complexes with tridentate rigid ligands.
Authors of publication	Brachňaková, Barbora; Matejová, Simona; Moncol, Ján; Herchel, Radovan; Pavlik, Ján; Moreno-Pineda, Eufemio; Ruben, Mario; Šalitroš, Ivan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	4
Pages of publication	1249 - 1264
a	37.112 ± 0.0008 Å
b	15.8626 ± 0.0002 Å
c	17.1798 ± 0.0004 Å
α	90°
β	90.502 ± 0.002°
γ	90°
Cell volume	10113.2 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0685
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.1038
Weighted residual factors for all reflections included in the refinement	0.1125
Goodness-of-fit parameter for all reflections included in the refinement	0.917
Diffraction radiation wavelength	1.54186 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
247711 (current)	2020-02-04	cif/ Updating files of 7702990, 7702991, 7702992, 7702993 Original log message: Adding full bibliography for 7702990--7702993.cif.	7702991.cif
245364	2019-12-19	cif/ Adding structures of 7702990, 7702991, 7702992, 7702993 via cif-deposit CGI script.	7702991.cif