Crystallography Open Database

Information card for entry 1564966

Preview

Coordinates	1564966.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H37 Mn N13 O8
Calculated formula	C44 H37 Mn N13 O8
Title of publication	Synthesis, structures, magnetic and electric properties of four new coordination polymers constructed with heterocyclic nitrogen ligands and multidentate organic acid
Authors of publication	Yang, Ru-Xia; Lan, Hai-Ming; Zhu, Peng-Yin; Yang, Li-Zhen; Yu, Yu-Ming; Wang, Lu-Lu; Wang, Duo-Zhi
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	506
Pages of publication	119410
a	9.8545 ± 0.0002 Å
b	11.217 ± 0.0001 Å
c	19.5315 ± 0.0004 Å
α	86.084 ± 0.001°
β	75.619 ± 0.002°
γ	89.875 ± 0.001°
Cell volume	2086.19 ± 0.07 Å³
Cell temperature	119.99 ± 0.1 K
Ambient diffraction temperature	119.99 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0446
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1127
Weighted residual factors for all reflections included in the refinement	0.1141
Goodness-of-fit parameter for all reflections included in the refinement	1.036
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
269990 (current)	2021-10-18	cif/ Adding structures of 1564966 via cif-deposit CGI script.	1564966.cif