Crystallography Open Database

Information card for entry 1571778

Preview

Coordinates	1571778.cif
Original IUCr paper	HTML

Structure parameters

Chemical name	(2,5-Dimethylimidazole){<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>'''-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate
Formula	C85 H62 Cl2 Mn N14 O4
Calculated formula	C85 H62 Cl2 Mn N14 O4
Title of publication	(2,5-Dimethylimidazole){N,N′,N′′,N′′′-[porphyrin-5,10,15,20-tetrayltetra(2,1-phenylene)]tetrakis(pyridine-3-carboxamide)}manganese(II) chlorobenzene disolvate
Authors of publication	Yang, Jun; Zhang, Cuijuan; Chu, Jiaxiang
Journal of publication	IUCrData
Year of publication	2024
Journal volume	9
Journal issue	6
a	30.247 ± 0.004 Å
b	13.713 ± 0.002 Å
c	17.205 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	7136.2 ± 1.6 Å³
Cell temperature	101.15 K
Ambient diffraction temperature	101.15 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1065
Residual factor for significantly intense reflections	0.0804
Weighted residual factors for significantly intense reflections	0.2106
Weighted residual factors for all reflections included in the refinement	0.2401
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
292202 (current)	2024-06-05	cif/ Adding structures of 1571778 via cif-deposit CGI script.	1571778.cif