Crystallography Open Database

Information card for entry 7061095

Preview

Coordinates	7061095.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H64 B2 Cl2 F8 N6 P2 Pd
Calculated formula	C52 H64 B2 Cl2 F8 N6 P2 Pd
Title of publication	Coordination behaviour of a hybrid phosphinoguanidine ligand
Authors of publication	Leitner, Zdeněk; Císařová, Ivana; Štěpnička, Petr
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	3
Pages of publication	1060 - 1071
a	12.9302 ± 0.0005 Å
b	18.6083 ± 0.0008 Å
c	22.9758 ± 0.001 Å
α	90°
β	92.54 ± 0.002°
γ	90°
Cell volume	5522.8 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	8
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	0.0307
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0596
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
272748 (current)	2022-02-04	cif/ Updating files of 7061094, 7061095, 7061096, 7061097, 7061098, 7061099, 7061100, 7061101, 7061102, 7061103, 7061104 Original log message: Adding full bibliography for 7061094--7061104.cif.	7061095.cif
270995	2021-12-03	cif/ Adding structures of 7061094, 7061095, 7061096, 7061097, 7061098, 7061099, 7061100, 7061101, 7061102, 7061103, 7061104 via cif-deposit CGI script.	7061095.cif