Crystallography Open Database

Information card for entry 7716178

Preview

Coordinates	7716178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H73 As5 Fe Ni2
Calculated formula	C44 H73 As5 Fe Ni2
Title of publication	Homo- and heterobimetallic transition metal cluster derived from [Cp*Fe(η<sup>5</sup>-E<sub>5</sub>)] (E = P, As) - unprecedented structural motifs of the resulting polypnictogen ligands.
Authors of publication	Dinauer, Sabrina B.; Szlosek, Robert; Piesch, Martin; Balázs, Gábor; Reichl, Stephan; Prock, Lukas; Riesinger, Christoph; Walter, Marc D.; Scheer, Manfred
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	24
Pages of publication	10201 - 10207
a	12.4331 ± 0.0002 Å
b	12.5276 ± 0.0002 Å
c	17.9814 ± 0.0003 Å
α	72.591 ± 0.001°
β	70.595 ± 0.001°
γ	64.918 ± 0.002°
Cell volume	2351.07 ± 0.08 Å³
Cell temperature	123.01 ± 0.1 K
Ambient diffraction temperature	123.15 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0265
Residual factor for significantly intense reflections	0.026
Weighted residual factors for significantly intense reflections	0.0661
Weighted residual factors for all reflections included in the refinement	0.0663
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
293001 (current)	2024-07-05	cif/ Updating files of 7716174, 7716175, 7716176, 7716177, 7716178, 7716179, 7716180 Original log message: Adding full bibliography for 7716174--7716180.cif.	7716178.cif
292059	2024-05-28	cif/ Adding structures of 7716174, 7716175, 7716176, 7716177, 7716178, 7716179, 7716180 via cif-deposit CGI script.	7716178.cif