Crystallography Open Database

Information card for entry 7702993

Preview

Coordinates	7702993.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C100 H124 Br2 Co N10 O3
Calculated formula	C100 H124 Br2 Co N10 O3
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	13.5981 ± 0.0004 Å
b	18.2954 ± 0.0005 Å
c	21.4975 ± 0.0006 Å
α	67.463 ± 0.002°
β	87.059 ± 0.002°
γ	72.737 ± 0.002°
Cell volume	4705.4 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0502
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0977
Goodness-of-fit parameter for all reflections included in the refinement	0.933
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.	7702993.cif
245364	2019-12-19	cif/ Adding structures of 7702990, 7702991, 7702992, 7702993 via cif-deposit CGI script.	7702993.cif