Crystallography Open Database

Information card for entry 1565485

Preview

Coordinates	1565485.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H56 Cl2 Mn2 N2 O10 P4
Calculated formula	C64 H56 Cl2 Mn2 N2 O10 P4
SMILES	C[OH][Mn]123([O]=P(c4ccccc4)(N=P(O1)(c1ccccc1)c1ccccc1)c1ccccc1)[O]1c4ccc(cc4C=[O][Mn]41([O]=P(c1ccccc1)(N=P(O4)(c1ccccc1)c1ccccc1)c1ccccc1)([OH]C)[O]2c1ccc(cc1C=[O]3)Cl)Cl
Title of publication	Syntheses, molecular structures, and spectroscopic properties of manganese(II)/(III) complexes with tetraphenylimidodiphosphinato and bi-pyridine or salicylaldehyde ligands
Authors of publication	Qian, Zhe; Zhang, Ying; Jia, Ai-Quan; Shi, Hua-Tian; Zhang, Qian-Feng
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	502
Pages of publication	119298
a	9.236 ± 0.003 Å
b	13.596 ± 0.005 Å
c	13.882 ± 0.005 Å
α	113.453 ± 0.004°
β	97.147 ± 0.005°
γ	100.949 ± 0.004°
Cell volume	1530.9 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0642
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1102
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
270981 (current)	2021-12-02	cif/ Adding structures of 1565485 via cif-deposit CGI script.	1565485.cif