Crystallography Open Database

Information card for entry 7704096

Preview

Coordinates	7704096.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H44 Br2 Co N2 O3
Calculated formula	C36 H44 Br2 Co N2 O3
SMILES	Brc1ccc2c(c1)C=[N](C13CC4CC(CC(C1)C4)C3)[Co]1([N](=Cc3c(ccc(Br)c3)O1)C13CC4CC(CC(C1)C4)C3)O2.C(C)O
Title of publication	Bulky Schiff-base ligand supported Co(ii) single-ion magnets with zero-field slow magnetic relaxation.
Authors of publication	Peng, Guo; Chen, Yue; Li, Bo; Zhang, Yi-Quan; Ren, Xiao-Ming
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	18
Pages of publication	5798 - 5802
a	9.9489 ± 0.0007 Å
b	25.4584 ± 0.0017 Å
c	13.7446 ± 0.001 Å
α	90°
β	107.112 ± 0.002°
γ	90°
Cell volume	3327.2 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0906
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.1056
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
252805 (current)	2020-06-05	cif/ Updating files of 7704095, 7704096 Original log message: Adding full bibliography for 7704095--7704096.cif.	7704096.cif
250837	2020-04-16	cif/ Adding structures of 7704095, 7704096 via cif-deposit CGI script.	7704096.cif