Crystallography Open Database

Information card for entry 4128325

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Coordinates	4128325.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H48 Br4 K2 Mn O12
Calculated formula	C40 H48 Br4 K2 Mn O12
Title of publication	Circularly Polarized Luminescence from Achiral Single Crystals of Hybrid Manganese Halides.
Authors of publication	Zhao, Jian; Zhang, Tongjin; Dong, Xi-Yan; Sun, Meng-En; Zhang, Chong; Li, Xinlei; Zhao, Yong Sheng; Zang, Shuang-Quan
Journal of publication	Journal of the American Chemical Society
Year of publication	2019
Journal volume	141
Journal issue	40
Pages of publication	15755 - 15760
a	9.5199 ± 0.0002 Å
b	35.864 ± 0.0007 Å
c	27.0516 ± 0.0005 Å
α	90°
β	90.65 ± 0.002°
γ	90°
Cell volume	9235.4 ± 0.3 Å³
Cell temperature	170 ± 0.1 K
Ambient diffraction temperature	170 ± 0.1 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0715
Residual factor for significantly intense reflections	0.0626
Weighted residual factors for significantly intense reflections	0.1756
Weighted residual factors for all reflections included in the refinement	0.18
Goodness-of-fit parameter for all reflections included in the refinement	1.077
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
221448 (current)	2019-11-03	cif/ Adding structures of 4128325 via cif-deposit CGI script.	4128325.cif