Crystallography Open Database

Information card for entry 7133287

Preview

Coordinates	7133287.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H22 Co N12 O6 S4
Calculated formula	C30 H22 Co N12 O6 S4
Title of publication	<i>N</i>-Alkylation of amines with primary/secondary alcohols using a novel cobalt(II) inverse triazolyl-pyridine complex.
Authors of publication	Shekhawat, Bhawana; Gahlaut, Puneet Singh; Gautam, Deepak; Jana, Barun
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	65
Pages of publication	8581 - 8584
a	7.7485 ± 0.0004 Å
b	10.1105 ± 0.0005 Å
c	12.1657 ± 0.0006 Å
α	103.064 ± 0.001°
β	92.24 ± 0.001°
γ	112.226 ± 0.001°
Cell volume	851.18 ± 0.07 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.039
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.115
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	0.944
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
294443 (current)	2024-09-06	cif/ Updating files of 7133287 Original log message: Adding full bibliography for 7133287.cif.	7133287.cif
293333	2024-07-10	cif/ Adding structures of 7133287 via cif-deposit CGI script.	7133287.cif