Crystallography Open Database

Information card for entry 7703187

Preview

Coordinates	7703187.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H36 Cl6 Fe N3 P Pd
Calculated formula	C36 H36 Cl6 Fe N3 P 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	11.2428 ± 0.0003 Å
b	18.9899 ± 0.0005 Å
c	17.6975 ± 0.0005 Å
α	90°
β	103.776 ± 0.001°
γ	90°
Cell volume	3669.72 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
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	0.0349
Residual factor for significantly intense reflections	0.0307
Weighted residual factors for significantly intense reflections	0.0784
Weighted residual factors for all reflections included in the refinement	0.0809
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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.	7703187.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.	7703187.cif