Crystallography Open Database

Information card for entry 7232893

Preview

Coordinates	7232893.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H22 Mn N5 O9.5
Calculated formula	C17 H21 Mn N5 O9.5
Title of publication	Two 1D carboxylate-bridged magnets displaying solvent-dependent canted antiferromagnetic ordering
Authors of publication	Li, Zhong-Yi; Wang, Wen-Jing; Wu, Dong-Qing; Zhang, Chi; Zhang, Fu-Li; Zhai, Bin; Zhang, Jian-Jun
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	27
Pages of publication	4098
a	4.7674 ± 0.0005 Å
b	15.2901 ± 0.0014 Å
c	15.8525 ± 0.0015 Å
α	82.467 ± 0.004°
β	89.755 ± 0.004°
γ	87.662 ± 0.004°
Cell volume	1144.63 ± 0.19 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 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	0.0507
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1092
Weighted residual factors for all reflections included in the refinement	0.1139
Goodness-of-fit parameter for all reflections included in the refinement	1.09
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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