Crystallography Open Database

Information card for entry 1575101

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Coordinates	1575101.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C212 H232 N14 Na8 O49 Si4
Calculated formula	C156 H96 N12 Na8 O36 Si4
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	12.0134 ± 0.001 Å
b	12.0134 ± 0.001 Å
c	44.831 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	5603.3 ± 1.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	182
Hermann-Mauguin space group symbol	P 63 2 2
Hall space group symbol	P 6c 2c
Residual factor for all reflections	0.1243
Residual factor for significantly intense reflections	0.0948
Weighted residual factors for significantly intense reflections	0.2369
Weighted residual factors for all reflections included in the refinement	0.2541
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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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