Crystallography Open Database

Information card for entry 4087975

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Coordinates	4087975.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H152 Fe2 P4
Calculated formula	C148 H152 Fe2 P4
Title of publication	2,7-Fluorenediyl-Bridged Complexes Containing Electroactive “Fe(η5-C5Me5)(κ2-dppe)C≡C‒” End Groups: Molecular Wires and Remarkable Nonlinear Electrochromes
Authors of publication	Malvolti, Floriane; Rouxel, Cédric; Triadon, Amédée; Grelaud, Guillaume; Richy, Nicolas; Mongin, Olivier; Blanchard-Desce, Mireille; Toupet, Loic; Razak, Fazira I. Abdul; Stranger, Robert; Samoc, Marek; Yang, Xinwei; Wang, Genmiao; Barlow, Adam; Cifuentes, Marie P.; Humphrey, Mark G.; Paul, Frédéric
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	22
Pages of publication	5418
a	21.5784 ± 0.0003 Å
b	12.0204 ± 0.0002 Å
c	45.8478 ± 0.0009 Å
α	90°
β	95.28 ± 0.002°
γ	90°
Cell volume	11841.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0777
Residual factor for significantly intense reflections	0.0451
Weighted residual factors for significantly intense reflections	0.1025
Weighted residual factors for all reflections included in the refinement	0.1088
Goodness-of-fit parameter for all reflections included in the refinement	0.93
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
237165 (current)	2019-11-24	cif/ Adding structures of 4087973, 4087974, 4087975 via cif-deposit CGI script.	4087975.cif