Crystallography Open Database

Information card for entry 7717032

Preview

Coordinates	7717032.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H33 Br Cl Co N6 O6
Calculated formula	C46 H33 Br Cl Co N6 O6
Title of publication	Axial ligand-induced high electrocatalytic hydrogen evolution activity of molecular cobaloximes in homo- and heterogeneous medium.
Authors of publication	Yadav, Jitendra Kumar; Singh, Baghendra; Mishra, Anjali; Pal, Sarvesh Kumar; Singh, Nanhai; Lama, Prem; Indra, Arindam; Kumar, Kamlesh
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	40
Pages of publication	16747 - 16758
a	12.6333 ± 0.0012 Å
b	13.9675 ± 0.0015 Å
c	14.1353 ± 0.0015 Å
α	71.891 ± 0.003°
β	84.233 ± 0.003°
γ	65.507 ± 0.003°
Cell volume	2156.2 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0705
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.1056
Weighted residual factors for all reflections included in the refinement	0.114
Goodness-of-fit parameter for all reflections included in the refinement	1.107
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
296580 (current)	2024-12-06	cif/ Updating files of 7717032, 7717033, 7717034 Original log message: Adding full bibliography for 7717032--7717034.cif.	7717032.cif
294805	2024-09-20	cif/ Adding structures of 7717032, 7717033, 7717034 via cif-deposit CGI script.	7717032.cif