Crystallography Open Database

Information card for entry 4342003

4342002 << 4342003 >> 4342004

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Coordinates	4342003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H58 F24 N2 Ni2 S4
Calculated formula	C72 H58 F24 N2 Ni2 S4
Title of publication	Electrocatalytic Proton Reduction by Dimeric Nickel Complex of a Sterically Demanding Pincer-type NS2 Aminobis(thiophenolate) Ligand.
Authors of publication	Mondragón, Alexander; Flores-Alamo, Marcos; Martínez-Alanis, Paulina R; Aullón, Gabriel; Ugalde-Saldívar, Víctor M; Castillo, Ivan
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	2
Pages of publication	619 - 627
a	24.8355 ± 0.0018 Å
b	16.3722 ± 0.0008 Å
c	17.658 ± 0.001 Å
α	90°
β	94.566 ± 0.006°
γ	90°
Cell volume	7157.2 ± 0.7 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.093
Residual factor for significantly intense reflections	0.0574
Weighted residual factors for significantly intense reflections	0.1234
Weighted residual factors for all reflections included in the refinement	0.1409
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
179523 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/20.	4342003.cif
130493	2015-02-04	cif/ Updating files of 4342003, 4342004, 4342005, 4342006, 4342007 Original log message: Adding full bibliography for 4342003--4342007.cif.	4342003.cif
129153	2014-12-30	cif/ Adding structures of 4342003, 4342004, 4342005, 4342006, 4342007 via cif-deposit CGI script.	4342003.cif