Crystallography Open Database

Information card for entry 2022165

2022164 << 2022165 >> 2022166

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Structure parameters

Common name	[Mn(3+)Cl(tetra-3-pyridinyl-21H,23H-Porphine(2-))]
Chemical name	<i>catena</i>-Poly[[chloridomanganese(III)]-μ~2~-5,10,15,20-tetrakis(pyridin-3-yl)-21<i>H</i>,23<i>H</i>-porphinato(2-)-κ^5^<i>N</i>^21^,<i>N</i>^22^,<i>N</i>^23^,<i>N</i>^24^:<i>N</i>^5^]
Formula	C40 H24 Cl Mn N8
Calculated formula	C40 H24 Cl Mn N8
Title of publication	A one-dimensional manganese(III)‒porphyrin coordination polymer: crystal structure and photophysical properties
Authors of publication	Wen-Tong Chen
Journal of publication	Acta Crystallographica, Section C
Year of publication	2020
Journal volume	76
Journal issue	5
Pages of publication	375 - 380
a	9.5189 ± 0.0004 Å
b	14.245 ± 0.0005 Å
c	23.4079 ± 0.0009 Å
α	90°
β	95.92 ± 0.003°
γ	90°
Cell volume	3157.1 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0465
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.098
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

Version history

Revision	Date	Message	Files
253313 (current)	2020-06-22	cif/ hkl/ Adding structures of 2022165 via cif-deposit CGI script.	2022165.cif 2022165.hkl