Crystallography Open Database

Information card for entry 7041975

7041974 << 7041975 >> 7041976

Preview

Coordinates	7041975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H25 B Cl2 Co F4 Fe N3 O3 S2
Calculated formula	C17 H25 B Cl2 Co F4 Fe N3 O3 S2
Title of publication	Complexes of MN2S2·Fe(η(5)-C5R5)(CO) as platform for exploring cooperative heterobimetallic effects in HER electrocatalysis.
Authors of publication	Ghosh, Pokhraj; Quiroz, Manuel; Wang, Ning; Bhuvanesh, Nattamai; Darensbourg, Marcetta Y.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2017
Journal volume	46
Journal issue	17
Pages of publication	5617 - 5624
a	7.592 ± 0.002 Å
b	12.668 ± 0.003 Å
c	13.662 ± 0.004 Å
α	73.506 ± 0.003°
β	75.942 ± 0.003°
γ	83.232 ± 0.003°
Cell volume	1220.5 ± 0.6 Å³
Cell temperature	150.15 K
Ambient diffraction temperature	150.15 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0822
Weighted residual factors for all reflections included in the refinement	0.0899
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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
196390 (current)	2017-05-06	cif/ Updating files of 7041975, 7041976, 7041977, 7041978 Original log message: Adding full bibliography for 7041975--7041978.cif.	7041975.cif
191924	2017-02-09	cif/ Adding structures of 7041975, 7041976, 7041977, 7041978 via cif-deposit CGI script.	7041975.cif