Crystallography Open Database

Information card for entry 7703191

Preview

Coordinates	7703191.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H61 B2 Cl2 F8 Fe2 N7 P2 Pd
Calculated formula	C66 H61 B2 Cl2 F8 Fe2 N7 P2 Pd
Title of publication	Synthesis and characterisation of Pd(ii) and Au(i) complexes with mesoionic carbene ligands bearing phosphinoferrocene substituents and isomeric carbene moieites.
Authors of publication	Škoch, Karel; Vosáhlo, Petr; Císařová, Ivana; Štěpnička, Petr
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	4
Pages of publication	1011 - 1021
a	10.6351 ± 0.0004 Å
b	20.9593 ± 0.0007 Å
c	14.0487 ± 0.0005 Å
α	90°
β	93.734 ± 0.002°
γ	90°
Cell volume	3124.87 ± 0.19 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.028
Residual factor for significantly intense reflections	0.0235
Weighted residual factors for significantly intense reflections	0.0508
Weighted residual factors for all reflections included in the refinement	0.0523
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
247708 (current)	2020-02-04	cif/ Updating files of 7703178, 7703179, 7703180, 7703181, 7703182, 7703183, 7703184, 7703185, 7703186, 7703187, 7703188, 7703189, 7703190, 7703191, 7703192, 7703193 Original log message: Adding full bibliography for 7703178--7703193.cif.	7703191.cif
246524	2020-01-04	cif/ Adding structures of 7703178, 7703179, 7703180, 7703181, 7703182, 7703183, 7703184, 7703185, 7703186, 7703187, 7703188, 7703189, 7703190, 7703191, 7703192, 7703193 via cif-deposit CGI script.	7703191.cif