Crystallography Open Database

Information card for entry 1575100

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Coordinates	1575100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C105 H107.5 N9.5 Na4 O23.5 Si2
Calculated formula	C81 H57 N6 Na4 O19.5 Si2
Title of publication	Construction of helicates based on six-coordinated silicon centres.
Authors of publication	Guan, Yu-Tao; Ji, Heng; Yang, Ju; Yu, Sai-Sai; Liu, Ming
Journal of publication	Chemical science
Year of publication	2025
Journal volume	16
Journal issue	32
Pages of publication	14448 - 14454
a	12.0214 ± 0.0019 Å
b	12.0214 ± 0.0019 Å
c	46.609 ± 0.012 Å
α	90°
β	90°
γ	120°
Cell volume	5833 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	143
Hermann-Mauguin space group symbol	P 3
Hall space group symbol	P 3
Residual factor for all reflections	0.2075
Residual factor for significantly intense reflections	0.094
Weighted residual factors for significantly intense reflections	0.232
Weighted residual factors for all reflections included in the refinement	0.2719
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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