Crystallography Open Database

Information card for entry 7058186

Preview

Coordinates	7058186.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H45 F6 Fe N O3 P2 Pd
Calculated formula	C38 H45 F6 Fe N O3 P2 Pd
Title of publication	Synthesis and characterisation of palladium(ii) complexes with hybrid phosphinoferrocene ligands bearing additional O-donor substituents
Authors of publication	Vosáhlo, Petr; Schulz, Jiří; Škoch, Karel; Císařová, Ivana; Štěpnička, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	11
Pages of publication	4463
a	9.6869 ± 0.0002 Å
b	11.1888 ± 0.0003 Å
c	18.9142 ± 0.0004 Å
α	100.488 ± 0.001°
β	96.476 ± 0.001°
γ	106.49 ± 0.001°
Cell volume	1903.22 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0308
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0656
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
224977 (current)	2019-11-08	cif/ Updating files of 7058185, 7058186, 7058187, 7058188, 7058189, 7058190, 7058191, 7058192, 7058193, 7058194 Original log message: Adding full bibliography for 7058185--7058194.cif.	7058186.cif
213719	2019-02-20	cif/ Adding structures of 7058185, 7058186, 7058187, 7058188, 7058189, 7058190, 7058191, 7058192, 7058193, 7058194 via cif-deposit CGI script.	7058186.cif