Crystallography Open Database

Information card for entry 7127429

Preview

Coordinates	7127429.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C2
Formula	C22 H36 Cl2 Co2 N10 O8
Calculated formula	C22 H36 Cl2 Co2 N10 O8
SMILES	[Co]12(Cl)([N](O)=C(C(=[N]1O)C)C)(N(=O)=C(C(=N2=O)C)C)[n]1ccc(cc1)C[NH2][Co]12(Cl)([N](O)=C(C)C(C)=N2=O)[N](O)=C(C)C(C)=N1=O
Title of publication	Probing the peripheral role of amines in photo- and electrocatalytic H<sub>2</sub> production by molecular cobalt complexes.
Authors of publication	Dolui, Dependu; Mir, Ab Qayoom; Dutta, Arnab
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	94
Pages of publication	14841 - 14844
a	20.399 ± 0.0012 Å
b	20.399 ± 0.0012 Å
c	14.7613 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	5319.5 ± 0.5 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	170
Hermann-Mauguin space group symbol	P 65
Hall space group symbol	P 65
Residual factor for all reflections	0.0322
Residual factor for significantly intense reflections	0.03
Weighted residual factors for significantly intense reflections	0.0863
Weighted residual factors for all reflections included in the refinement	0.0881
Goodness-of-fit parameter for all reflections included in the refinement	0.9919
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
259358 (current)	2020-12-01	cif/ Adding structures of 7127429 via cif-deposit CGI script.	7127429.cif