Crystallography Open Database

Information card for entry 7058429

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Coordinates	7058429.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 Cl54 K12 N60 Pb51
Calculated formula	C30 Cl54 K12.03 N60 Pb50.97
Title of publication	Chloride carbodiimide K12Pb51(CN2)30Cl54 with an unprecedented 45 Å unit cell axis and a large birefringence
Authors of publication	Meng, Xianghe; Liang, Fei; Yin, Wenlong; Lin, Zheshuai; Xia, Mingjun
Journal of publication	New Journal of Chemistry
Year of publication	2019
Journal volume	43
Journal issue	25
Pages of publication	9766
a	10.3072 ± 0.0004 Å
b	10.3072 ± 0.0004 Å
c	45.528 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	4188.8 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0221
Residual factor for significantly intense reflections	0.0217
Weighted residual factors for significantly intense reflections	0.0527
Weighted residual factors for all reflections included in the refinement	0.053
Goodness-of-fit parameter for all reflections included in the refinement	1.162
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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