Crystallography Open Database

Information card for entry 7058189

Preview

Coordinates	7058189.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H46 Cl4 Fe2 P2 Pd2
Calculated formula	C50 H46 Cl4 Fe2 P2 Pd2
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	10.9962 ± 0.0004 Å
b	15.7529 ± 0.0006 Å
c	13.3059 ± 0.0005 Å
α	90°
β	98.934 ± 0.002°
γ	90°
Cell volume	2276.91 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0429
Residual factor for significantly intense reflections	0.0297
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0775
Goodness-of-fit parameter for all reflections included in the refinement	1.036
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.	7058189.cif
213719	2019-02-20	cif/ Adding structures of 7058185, 7058186, 7058187, 7058188, 7058189, 7058190, 7058191, 7058192, 7058193, 7058194 via cif-deposit CGI script.	7058189.cif