Crystallography Open Database

Information card for entry 1551815

Preview

Coordinates	1551815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H26 Br2 Co N4 O4
Calculated formula	C30 H26 Br2 Co N4 O4
SMILES	c12c(cc(cc1C=O)Br)C[N]13[Co]45([n]6ccccc6C[N]4(Cc4c(c(cc(c4)Br)C=O)O5)CC3)(O2)[n]2ccccc2C1
Title of publication	Crystal and Molecular Structure of Co(II) Complex with N,N′-Bis(pyridine-2-ylmethyl)-N,N′-bis(5-bromo-3-formyl-2-hydroxybenzyl)-1,2-diamine Ligand
Authors of publication	GOLCHOUBIAN, Hamid; GHOLAMNEZHAD, Parisa
Journal of publication	X-ray Structure Analysis Online
Year of publication	2009
Journal volume	25
Pages of publication	95
a	17.6158 ± 0.0013 Å
b	9.2327 ± 0.0007 Å
c	17.6983 ± 0.0013 Å
α	90°
β	102.771 ± 0.002°
γ	90°
Cell volume	2807.3 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0557
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0605
Weighted residual factors for all reflections included in the refinement	0.0648
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
216428 (current)	2019-06-20	cif/ Adding structures of 1551815 via cif-deposit CGI script.	1551815.cif