Crystallography Open Database

Information card for entry 7061097

Preview

Coordinates	7061097.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Cl2 N3 O P Pd
Calculated formula	C28 H36 Cl2 N3 O P 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	8.573 ± 0.0005 Å
b	32.934 ± 0.002 Å
c	21.093 ± 0.0014 Å
α	90°
β	96.416 ± 0.003°
γ	90°
Cell volume	5918.2 ± 0.6 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0296
Residual factor for significantly intense reflections	0.0224
Weighted residual factors for significantly intense reflections	0.0491
Weighted residual factors for all reflections included in the refinement	0.0518
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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.	7061097.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.	7061097.cif