Crystallography Open Database

Information card for entry 7041977

7041976 << 7041977 >> 7041978

Preview

Coordinates	7041977.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H33 Co F6 Fe N3 O2 P S2
Calculated formula	C20 H33 Co F6 Fe N3 O2 P 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	22.3067 ± 0.0009 Å
b	21.8234 ± 0.0009 Å
c	10.8799 ± 0.0006 Å
α	90°
β	101.649 ± 0.002°
γ	90°
Cell volume	5187.3 ± 0.4 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	9
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	0.0533
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0801
Goodness-of-fit parameter for all reflections included in the refinement	1.172
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
196390 (current)	2017-05-06	cif/ Updating files of 7041975, 7041976, 7041977, 7041978 Original log message: Adding full bibliography for 7041975--7041978.cif.	7041977.cif
191924	2017-02-09	cif/ Adding structures of 7041975, 7041976, 7041977, 7041978 via cif-deposit CGI script.	7041977.cif