Crystallography Open Database

Information card for entry 7054569

Preview

Coordinates	7054569.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H53 B Co F4 N6 O6 P2 S2
Calculated formula	C43 H35 B Co F4 N6 O6 P2 S2
Title of publication	Light-driven hydrogen evolution with a nickel thiosemicarbazone redox catalyst featuring Ni⋯H interactions under basic conditions
Authors of publication	Jing, Xu; Wu, Pengyan; Liu, Xin; Yang, Linlin; He, Cheng; Duan, Chunying
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	2
Pages of publication	1051
a	13.3203 ± 0.0003 Å
b	25.2381 ± 0.0007 Å
c	15.0807 ± 0.0003 Å
α	90°
β	109.346 ± 0.001°
γ	90°
Cell volume	4783.5 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1008
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1621
Weighted residual factors for all reflections included in the refinement	0.1812
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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
180099 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/45.	7054569.cif
131100	2015-02-04	cif/ Updating files of 7054569, 7054570 Original log message: Adding full bibliography for 7054569--7054570.cif.	7054569.cif
127966	2014-11-28	cif/ Adding structures of 7054569, 7054570 via cif-deposit CGI script.	7054569.cif