Crystallography Open Database

Information card for entry 1565484

Preview

Coordinates	1565484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H58 Mn2 N2 O10 P4
Calculated formula	C64 H58 Mn2 N2 O10 P4
SMILES	c1(ccccc1)P1(=NP(c2ccccc2)(=[O][Mn]23(O1)([OH]C)[O]1c4ccccc4C=[O][Mn]41([O]=P(c1ccccc1)(N=P(c1ccccc1)(O4)c1ccccc1)c1ccccc1)([OH]C)[O]2c1ccccc1C=[O]3)c1ccccc1)c1ccccc1
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	16.101 ± 0.003 Å
b	9.8089 ± 0.0016 Å
c	19.171 ± 0.003 Å
α	90°
β	95.106 ± 0.002°
γ	90°
Cell volume	3015.7 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.1301
Residual factor for significantly intense reflections	0.0499
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1298
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
270980 (current)	2021-12-02	cif/ Adding structures of 1565484 via cif-deposit CGI script.	1565484.cif