Crystallography Open Database

Information card for entry 7700148

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Coordinates	7700148.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H28 Cs2 Mg N12 O22
Calculated formula	C12 H28 Cs2 Mg N12 O22
Title of publication	A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A<sub>2</sub>B(H<sub>2</sub>C<sub>3</sub>N<sub>3</sub>O<sub>3</sub>)<sub>4</sub>·nH<sub>2</sub>O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy.
Authors of publication	Meng, Xianghe; Liang, Fei; Kang, Kaijin; Tang, Jian; Huang, Qian; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	25
Pages of publication	9048 - 9052
a	6.7827 ± 0.0002 Å
b	11.4995 ± 0.0003 Å
c	11.8268 ± 0.0003 Å
α	113.871 ± 0.003°
β	102.466 ± 0.002°
γ	102.313 ± 0.002°
Cell volume	775.59 ± 0.05 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0236
Residual factor for significantly intense reflections	0.0212
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0543
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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